# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-05T05:55:21+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 9 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
"1000164","7.31","0.003","7.31","","7.31","","57.43","0.1","57.43","","57.43","","259.9","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Caesium sodium aluminium fluoride (1/.5/1.5/6)","","- Al1.5 Cs F6 Na0.5 -","- Al1.5 Cs F6 Na0.5 -","- Al3 Cs2 F12 Na -","2","0.166667","","Courbion, G; Jacoboni, C; de Pape, R","Ordre cationique 0.333 dans les pyrochlores: A(I) (M(I)~0.5~ Al~1.5~) F~6~ (M= Li, Na, K, Rb)","Materials Research Bulletin","1974","9","","425","434","10.1016/0025-5408(74)90210-4","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000165","7.106","0.003","7.106","","7.106","","58.8","0.1","58.8","","58.8","","246.8","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Caesium lithium aluminium fluoride (1/.5/1.5/6)","","- Al1.5 Cs F6 Li0.5 -","- Al1.5 Cs F6 Li0.5 -","- Al3 Cs2 F12 Li -","2","0.166667","","Courbion, G; Jacoboni, C; de Pape, R","Ordre cationique 0.333 dans les pyrochlores: A(I) (M(I)~0.5~ Al~1.5~) F~6~ (M= Li, Na, K, Rb)","Materials Research Bulletin","1974","9","","425","434","10.1016/0025-5408(74)90210-4","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000189","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Hydrogen niobium oxide","","- H Nb O3 -","- H0.25 Nb O3 -","- H2 Nb8 O24 -","8","0.166667","","Fourquet, J E; Renou, M F; de, Pape R; Theveneau, H; Man, P P; Lucas, O; Pannetier, J","H Nb O~3~, structure and NMR study","Solid State Ionics","1983","9","","1011","1013","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000190","7.645","0.002","7.645","0.002","7.645","0.002","90","","90","","90","","446.8","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Hydrogen niobium oxide","","- H Nb O3 -","- H1.0002 Nb O3 -","- H8.0016 Nb8 O24 -","8","0.166667","","Fourquet, J L; Renou, M F; De, Pape R; Theveneau, H; Man, P P; Lucs, O; Pannetier, J","H Nb O~3~, structure and NMR study","Solid State Ionics","1983","9","","1011","1013","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000458","8.674","0.001","10.19","0.002","16.82599","0.003","90","","94.21","0.02","90","","1483.2","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trigallium tris(phosphate(V)) difluoride - 1,3-diaminopropane - oxonium (1/0.75/0.5)","","- C2.25 H10.5 F2 Ga3 N1.5 O12.5 P3 -","- C2.25 H10.503 F2 Ga3 N1.501 O12.5 P3 -","- C9 H42.012 F8 Ga12 N6.004 O50 P12 -","4","1","","Loiseau, T; Taulelle, F; Ferey, G","Crystal structure and solid-state nuclear magnetic resonance characterization of an oxyfluorinated three-dimensional framework gallophosphate with ULM-4 structural type. Structural relationships with (Ga As O4)-2","Microporous Materials","1997","9","","83","93","10.1016/S0927-6513(96)00094-6","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001034","10.421","","10.421","","10.421","","90","","90","","90","","1131.7","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","BISMUTH CADMIUM TANTALUM OXIDE (0.4/1.7/1.9/7)","","- Bi0.4 Cd1.733 O7 Ta1.867 -","- Bi0.4 Cd1.7334 O7 Ta1.8666 -","- Bi3.2 Cd13.8672 O56 Ta14.9328 -","8","0.0416667","","Jeanne, G; Desgardin, G; Raveau, B","Synthese et evolution structurale de nouveaux pyrochlores au bismuth","Materials Research Bulletin","1974","9","","1321","1332","10.1016/0025-5408(74)90054-3","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001126","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","BISMUTH ZINC TANTALUM OXIDE (1.5/1/1.5/7)","","- Bi1.5 O7 Ta1.5 Zn -","- Bi1.5 O7 Ta1.5 Zn -","- Bi12 O56 Ta12 Zn8 -","8","0.0416667","","Jeanne, G; Desgardin, G; Raveau, B","Synthese et evolution structurale de nouveaux pyrochlores au bismuth","Materials Research Bulletin","1974","9","","1321","1332","10.1016/0025-5408(74)90054-3","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001132","8.379","","8.379","","8.379","","90","","90","","90","","588.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium magnesium uranium(VI) oxide","","- Ba2 Mg O6 U -","- Ba2 Mg O6 U -","- Ba8 Mg4 O24 U4 -","4","0.0208333","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001133","8.25","","8.25","","8.25","","90","","90","","90","","561.5","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Barium iron uranium oxide (2/1.3/0.7/6)","","- Ba2 Fe1.333 O6 U0.667 -","- Ba2 Fe1.333 O6 U0.667 -","- Ba8 Fe5.332 O24 U2.668 -","4","0.166667","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.0428","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001134","8.328","","8.328","","8.328","","90","","90","","90","","577.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Barium magnesium iron uranium oxide (2/0.5/0.7/0.8/6)","","- Ba2 Fe0.667 Mg0.5 O6 U0.833 -","- Ba2 Fe0.667 Mg0.5 O6 U0.833 -","- Ba8 Fe2.668 Mg2 O24 U3.332 -","4","0.166667","","Padel, L; Poix, P; Michel, A","Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~","Revue de Chimie Minerale","1972","9","","337","350","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001789","3.832","0.0001","3.832","0.0001","16.41119","0.0005","90","","90","","90","","241","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium chromium strontium copper carbonate nitrate oxide (0.85/0.15/4/2/0.5/0.5/7)","","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","1","0.0625","","Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B","A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7","Chemistry of Materials (1,1989-","1997","9","","2205","2211","10.1021/cm970370v","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001790","3.88416","0.00003","3.88416","0.00003","12.543","0.0002","90","","90","","90","","189.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium barium calcium praseodymium copper oxide (1/2/0.42/0.58/2/7)","","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001791","3.85262","0.00004","3.85262","0.00004","12.2813","0.0002","90","","90","","90","","182.3","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium barium strontium calcium praseodymium copper oxide (0.96/1/1/0.43/0.57/2/6.98)","","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001792","3.8262","0.00008","3.8262","0.00008","12.1262","0.0003","90","","90","","90","","177.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium strontium calcium praseodymium copper oxide (0.94/2/0.48/0.52/2/6.96)","","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004028","9.848","0.02","12.47","0.032","12.603","0.028","63.47","0.16","74.56","0.16","76.03","0.17","1321.2","5.2","293","2","293","2","","","","","","","?","7","P -1","-P 1","2","","","","- C10 H30 Co4 Ga6 N4 O41 P10 -","- C10 Co4.56 Ga5.44 N4 O41 P10 -","- C10 Co4.56 Ga5.44 N4 O41 P10 -","1","0.5","","Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.; Rouleau, L.","Synthesis and crystal structure of IM-6, a new open framework cobalt-gallium phosphate with 10- and 12-membered pore openings","Chemistry - A European Journal","2003","9","4","856","861","10.1002/chem.200390095","","","1.54178","CuKα","","0.1169","0.0629","","0.1872","0.1535","","","","1.001","1.073","1.073","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1004059","10.322","0.003","9.886","0.003","6.167","0.002","90","","90","","90","","629.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sodium tetrachloroaluminate","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P","Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des Spectres de Diffusion Raman de la Famille des M Al Cl~4~ (M= Li, Na, K, Rb, Cs, NO, NH~4~) a l'Etat Solide","Journal of Raman Spectroscopy","1980","9","","55","61","10.1002/jrs.1250090113","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004069","10.322","0.003","9.886","0.003","6.167","0.002","90","","90","","90","","629.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","SODIUM TETRACHLOROALUMINATE","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P","Etude structurale du tetrachloroaluminate de sodium. Comparaison des spectres de diffusion raman de la famille des M Al Cl~4~ (M=Li, Na, K, Rb, Cs, No, Nh~4~,) a l'etat solide","Journal of Raman Spectroscopy","1980","9","","55","61","10.1002/jrs.1250090113","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004074","4.005","0.001","4.005","0.001","28.54","0.01","90","","90","","120","","396.5","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie X a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004075","4.023","0.001","4.023","0.001","28.66","0.01","90","","90","","120","","401.7","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004076","4.025","0.001","4.025","0.001","28.71","0.01","90","","90","","120","","402.8","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004077","4.032","0.001","4.032","0.001","28.76","0.01","90","","90","","120","","404.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004078","4.054","0.001","4.054","0.001","28.88","0.01","90","","90","","120","","411.1","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004079","4.057","0.001","4.057","0.001","28.9","0.01","90","","90","","120","","411.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bismuth barium oxide (.844/.156/1.422)","","- Ba0.156 Bi0.844 O1.422 -","- Ba0.156 Bi0.844 O1.422 -","- Ba0.468 Bi2.532 O4.266 -","3","0.0833333","","Conflant, P; Boivin, J C; Nowogrocki, G; Thomas, D","Etude structurale par diffractometrie x a haute temperature du conducteur anionique Bi~.844~ Ba~.156~ O~1.422~","Solid State Ionics","1983","9","","925","928","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007054","5.084","","5.084","","11.226","","90","","90","","90","","290.2","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Germanium uranium(IV) oxide","","- Ge O4 U -","- Ge O4 U -","- Ge4 O16 U4 -","4","0.25","","Durif, A","Structure de Ge U O~4~","Acta Crystallographica (1,1948-23,1967)","1956","9","","533","533","10.1107/S0365110X56001418","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008077","9.727","","9.976","","3.136","","90","","90","","90","","304.3","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","Dititanium(III) calcium oxide","","- Ca O4 Ti2 -","- Ca O4 Ti2 -","- Ca4 O16 Ti8 -","4","0.25","","Bertaut, E F; Blum, P","Determination de la Structure de Ti~2~ Ca O~4~ par la Methode Self- Consistante d'Approche Directe","Acta Crystallographica (1,1948-23,1967)","1956","9","","121","126","10.1107/S0365110X56003132","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008977","5.918","0.001","3.746","0.001","7.029","0.001","90","","90","","90","","155.8","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cobalt rhodium arsenide (1/1/1)","","- As Co Rh -","- As Co Rh -","- As4 Co4 Rh4 -","4","0.5","","Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures M M' As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","579","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008986","6.482","0.001","6.482","","3.714","0.001","90","","90","","120","","135.1","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Manganese rhodium arsenide (1/1/1)","","- As Mn Rh -","- As Mn Rh -","- As3 Mn3 Rh3 -","3","0.25","","Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures MM'As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","579","586","","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008989","3.565","0.001","3.565","","6.161","0.001","90","","90","","90","","78.3","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Nickel rhodium arsenide (1/1/1)","","- As Ni Rh -","- As Ni Rh -","- As2 Ni2 Rh2 -","2","0.125","","Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J O; Fruchart, R","Analyse de l'ordre ddans les arseniures MM'As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","579","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008991","6.334","0.001","3.816","0.001","7.388","0.001","90","","90","","90","","178.6","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rhodium titanium arsenide (1/1/1)","","- As Rh Ti -","- As Rh Ti -","- As4 Rh4 Ti4 -","4","0.5","","Roy-Montreuil, J; Chadouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R","Analyse de l'ordre dans les arseniures MM'As","Annales de Chimie (Paris) (Vol=Year)","1984","9","","589","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009044","3.886","","3.886","","3.886","","90","","90","","90","","58.7","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Manganese nickel nitride (3/1/1)","","- Mn3 N Ni -","- Mn3 N Ni -","- Mn3 N Ni -","1","0.0208333","","Fruchart, D; Bertaut, E F; Madar, R; Lorthioir, G; Fruchart, R","Structure magnetique et rotation de spin de Mn3 Ni N","Solid State Communications","1971","9","","1793","1797","10.1016/0038-1098(71)90092-5","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010330","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","","Hassel, O","Die Kristallstruktur des Bornitrides, B N","Norsk Geologisk Tidsskrift","1927","9","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010331","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","","Hassel, O","Die Kristallstruktur des Bornitrides, B N","Norsk Geologisk Tidsskrift","1927","9","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010332","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Ytterbium oxide","","- O3 Yb2 -","- O3 Yb2 -","- O48 Yb32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010333","10.52","","10.52","","10.52","","90","","90","","90","","1164.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thulium oxide","","- O3 Tm2 -","- O3 Tm2 -","- O48 Tm32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010334","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Erbium oxide","","- Er2 O3 -","- Er2 O3 -","- Er32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010335","10.58","","10.58","","10.58","","90","","90","","90","","1184.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Holmium oxide","","- Ho2 O3 -","- Ho2 O3 -","- Ho32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010336","10.63","","10.63","","10.63","","90","","90","","90","","1201.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Dysprosium oxide","","- Dy2 O3 -","- Dy2 O3 -","- Dy32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010337","10.7","","10.7","","10.7","","90","","90","","90","","1225","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Terbium oxide","","- O3 Tb2 -","- O3 Tb2 -","- O48 Tb32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and Thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010338","10.79","","10.79","","10.79","","90","","90","","90","","1256.2","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Gadolinium oxide","","- Gd2 O3 -","- Gd2 O3 -","- Gd32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010339","10.84","","10.84","","10.84","","90","","90","","90","","1273.8","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Europium oxide","","- Eu2 O3 -","- Eu2 O3 -","- Eu32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010340","10.85","","10.85","","10.85","","90","","90","","90","","1277.3","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Samarium oxide","","- O3 Sm2 -","- O3 Sm2 -","- O48 Sm32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010341","10.12","","10.12","","10.12","","90","","90","","90","","1036.4","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Indium oxide","","- In2 O3 -","- In2 O3 -","- In32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010549","12.72","","12.72","","5.18","","90","","90","","120","","725.8","","","","","","","","","","","","from Dodo, Korea","6","P 63","P 6c","173","","Trisodium calcium trialuminium tris(silicate) carbonate","Cancrinite","- C Al3 Ca Na3 O15 Si3 -","- C6 Al6 Ca6 Na12 O30 Si6 -","- C6 Al6 Ca6 Na12 O30 Si6 -","1","0.166667","","Kôzu, Shukusuké; Takané, Katsutoshi","Crystal structure of Cancrinite from Dôdô, Korea, II","Proceedings of the Imperial Academy (Tokyo)","1933","9","3","105","108","10.2183/pjab1912.9.105","","","","","","","","","","","","","","","","","","","","","has coordinates","209441","2020-10-21","18:00:00",""
"1010565","7.78","","7.78","","11.41","","90","","90","","90","","690.6","","","","","","","","","","","","","3","P 4/m","-P 4","83","","Iron(III) niobium oxide","Fergusonite titanian","- Fe Nb O4 -","","","8","1","","Barth, T","The structure of Risorite","Norsk Geologisk Tidsskrift","1926","9","","37","39","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010927","10.57","","10.57","","10.57","","90","","90","","90","","1180.9","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Thallium(III) oxide","Avicennite","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010954","7.12","0.01","7.12","0.01","7.12","0.01","90","","90","","90","","360.9","","","","","","","","","","","","","2","F 41 3 2","F 4d 2 3","210","","Silicon oxide","Cristobalite high","- O2 Si -","- O2 Si -","- O16 Si8 -","8","0.0833333","","Wyckoff, R W G","The crystal structure of the high temperature form of Cristobalite (Si O2)","American Journal of Science, Serie 5(1,1921-1938)","1925","9","","448","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010988","4.43","","9.36","","2.8","","90","","90","","90","","116.1","","","","","","","","","","","","from Shokozan, Japan","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H1.5 O2 -","- Al4 H6 O8 -","4","0.5","","Takané, Katsutashi","Crystal Structure of Diaspore","Proceedings of the Imperial Academy (Tokyo)","1933","9","3","113","116","10.2183/pjab1912.9.113","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011039","6.403","0.05","6.162","0.03","3.687","0.03","90","","90","","90","","145.5","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Tricopper tetrathioarsenate","Enargite","- As Cu3 S4 -","- As Cu3 S4 -","- As Cu3 S4 -","1","0.125","","Takané, Katsutashi","Crystal Structure of Enargite (Cu~3~AsS~4~)","Proceedings of the Imperial Academy (Tokyo)","1933","9","9","524","527","10.2183/pjab1912.9.524","","","","","","","","","","","","","","","","","","","","","has coordinates","176254","2020-10-21","18:00:00",""
"1011083","7.1","","9.7","","4.05","","90","","90","","90","","278.9","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Lead chloride hydroxide","Laurionite","- Cl H O Pb -","- Cl H O Pb -","- Cl4 H4 O4 Pb4 -","4","0.5","","Brasseur, H","Etude roentgenographique de la laurionite Pb Cl (O H)","Bulletin de la Societe Royal des Sciences de Liege","1940","9","","166","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011099","4.244","","4.244","","4.244","","90","","90","","90","","76.4","","","","","","","","","","","","synthetic at 3273 K","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Brager, A","An X-ray examination of titanium nitride III","Acta Physicochimica (USSR)","1939","9","","617","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011281","10.39","","10.39","","10.39","","90","","90","","90","","1121.6","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","Lutetium oxide","","- Lu2 O3 -","- Lu2 O3 -","- Lu32 O48 -","16","0.666667","","Zachariasen, W","The crystal structure of the modification C of the sesquioxides of the rare earth metals, and of indium and thallium.","Norsk Geologisk Tidsskrift","1927","9","","310","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011325","3.796","","3.796","","3.796","","90","","90","","90","","54.7","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Beryllium oxide","","- Be O -","- Be O -","- Be4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011326","4.22","0.02","4.22","0.02","4.22","0.02","90","","90","","90","","75.2","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Magnesium oxide","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1011327","4.778","0.05","4.778","0.05","4.778","0.05","90","","90","","90","","109.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Calcium oxide","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011328","5.104","0.01","5.104","0.01","5.104","0.01","90","","90","","90","","133","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Strontium oxide","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011330","3.62","","3.62","","5.85","","90","","90","","120","","66.4","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin(IV) sulfide","Berndtite","- S2 Sn -","- S2 Sn -","- S2 Sn -","1","0.0833333","","Oftedal, I","Die Kristallstruktur von Sn S2","Norsk Geologisk Tidsskrift","1926","9","","225","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011362","5.496","0.02","5.496","0.02","5.496","0.02","90","","90","","90","","166","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Barium oxide","","- Ba O -","- Ba O -","- Ba4 O4 -","4","0.0208333","","Gerlach, W","Die Gitterstruktur der Erdalkalioxyde.","Zeitschrift fuer Physik","1922","9","","184","192","10.1007/BF01326966","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1100016","5.21379","0.00002","5.21379","0.00002","29.73819","0.0002","90","","90","","120","","700.1","","","","","","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium magnesium aluminium silicon oxide hydroxide *","Phengite 3T","- Al1.788 H2 K Mg0.64 O12 Si3.572 -","- Al1.788 H4 K Mg0.64 O12 Si3.572 -","- Al5.364 H12 K3 Mg1.92 O36 Si10.716 -","3","0.5","","Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study","European Journal of Mineralogy (1,1989-)","1997","9","","1183","1190","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100017","5.23169","0.00002","5.23169","0.00002","30.1227","0.0002","90","","90","","120","","714","","","","","","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium magnesium aluminium silicon oxide hydroxide *","Phengite 3T","- Al1.848 H2 K Mg0.58 O12 Si3.572 -","- Al1.848 H4 K Mg0.58 O11 Si3.572 -","- Al5.544 H12 K3 Mg1.74 O33 Si10.716 -","3","0.5","","Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study","European Journal of Mineralogy (1,1989-)","1997","9","","1183","1190","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100259","10.8874","0.0007","11.2061","0.0009","14.4504","0.0012","90","","108.246","0.007","90","","1674.38","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-2-(5-Pyrimidinyl)-8-azoniabicyclo(3.2.1)oct-2-ene oxalate 2-propanol solvate","","- C16 H23 N3 O5 -","- C16.5 H23.5 N3 O5.5 -","- C66 H94 N12 O22 -","4","2","","Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas","Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors","Bioorganic & Medicinal Chemistry","2001","9","10","2683","2691","10.1016/s0968-0896(01)00188-2","","","","","","","5.62","","","5.62","","","","","","","","","","","has coordinates","178074","2020-10-21","18:00:00",""
"1100418","12.78","0.004","13.9","0.003","16.427","0.005","90","","90","","90","","2918.13","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cl2 O6 P2 Sn -","- C23 H36 Cl2 O7 P2 Sn2 -","- C92 H144 Cl8 O28 P8 Sn8 -","4","1","","Grigoriev, E. V.; Yashina, N. S.; Prischenko, A. A.; Livantsov, M. V.; Petrosyan, V. S.; Massa, W.; Harms, K.; Wocadlo, S.; Pellerito, L.","Organotin(IV) complexes with tetraethyl ethylene- and propylene-diphosphonates","Applied Organometallic Chemistry","1995","9","1","11","22","10.1002/aoc.590090104","","","","","","","","","","","","","","","","","","","","","has coordinates","177942","2020-10-21","18:00:00",""
"1500008","12.8349","0.0009","18.7451","0.0013","16.002","0.0011","90","","109.23","0.001","90","","3635.1","0.4","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H112 Cl7 Co6 N24 O26 P5 -","- C24 H96 Cl7 Co6 N24 O26 P5 -","- C48 H192 Cl14 Co12 N48 O52 P10 -","2","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O","Inorganic Chemistry Communications","2006","9","","782","784","10.1016/j.inoche.2006.04.001","","","0.71073","MoKα","","0.0457","0.0406","","","0.095","0.0975","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500023","36.332","0.002","9.1289","0.0005","19.2431","0.0011","90","","103.487","0.001","90","","6206.4","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H41 Co N4 O8 -","- C28 H41 Co N4 O8 -","- C224 H328 Co8 N32 O64 -","8","1","","Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas","First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate","Inorganic Chemistry Communications","2006","9","","1075","1078","10.1016/j.inoche.2006.07.002","","","0.71073","MoKα","","0.0628","0.0497","","","0.1321","0.1412","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505007","10.0825","0.0007","18.239","0.003","13.8361","0.0012","90","","96.606","0.006","90","","2527.5","0.5","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 B N3 O -","- C29 H34 B N3 O -","- C116 H136 B4 N12 O4 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.1184","0.0421","","","0.1045","0.1271","","","","","","0.985","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505008","12.7145","0.0017","15.8471","0.0017","15.7636","0.0015","90","","100.298","0.009","90","","3125","0.6","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 B N4 O2 -","- C36 H39 B N4 O2 -","- C144 H156 B4 N16 O8 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.0701","0.0376","","","0.0959","0.1097","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505009","16.63","0.002","13.9808","0.0015","12.999","0.003","90","","91.48","0.02","90","","3021.3","0.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B N3 O -","- C33 H40 B N3 O -","- C132 H160 B4 N12 O4 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.2422","0.0511","","","0.1019","0.148","","","","","","0.92","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505010","14.1478","0.0011","10.2584","0.0008","21.693","0.007","90","","103.87","0.01","90","","3056.6","1.1","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 B N4 O2 -","- C33 H39 B N4 O2 -","- C132 H156 B4 N16 O8 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.0923","0.0597","","","0.1672","0.1893","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505011","36.34","0.015","11.78","0.005","11.87","0.005","90","","102.714","0.005","90","","4957","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Cl N4 O3 -","- C28 H27 Cl N4 O3 -","- C224 H216 Cl8 N32 O24 -","8","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.1448","0.0738","","","0.1776","0.2164","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505012","10.378","0.005","10.131","0.005","18.143","0.009","90","","97.406","0.008","90","","1891.6","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O2 -","- C21 H20 Cl N3 O2 -","- C84 H80 Cl4 N12 O8 -","4","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.184","0.0644","","","0.1503","0.2226","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505013","10.781","0.003","14.937","0.004","9.839","0.003","90","","106.27","0.005","90","","1521","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F N3 O2 -","- C18 H14 F N3 O2 -","- C72 H56 F4 N12 O8 -","4","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.1168","0.0465","","","0.0845","0.1118","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505014","10.9684","0.0013","11.1701","0.0014","12.9433","0.0015","87.15","0.002","67.964","0.002","81.135","0.002","1452.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H32 O -","- C38 H32 O -","- C76 H64 O2 -","2","1","","Yao, Liang-Feng; Shi, Min","Lewis acid-catalyzed cascade reactions of arylmethylenecyclopropanes with 1,1,3-triarylprop-2-yn-1-ols or their methyl ethers.","Organic letters","2007","9","25","5187","5190","10.1021/ol7022592","","","0.71073","MoKα","","0.0856","0.0524","","","0.1271","0.1437","","","","","","0.915","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505015","11.9815","0.0012","28.144","0.003","9.7933","0.001","90","","111.828","0.002","90","","3065.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 O2 -","- C39 H34 O2 -","- C156 H136 O8 -","4","1","","Yao, Liang-Feng; Shi, Min","Lewis acid-catalyzed cascade reactions of arylmethylenecyclopropanes with 1,1,3-triarylprop-2-yn-1-ols or their methyl ethers.","Organic letters","2007","9","25","5187","5190","10.1021/ol7022592","","","0.71073","MoKα","","0.1335","0.052","","","0.1163","0.1447","","","","","","0.813","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505234","7.7441","0.0005","6.2696","0.0005","35.046","0.003","90","","92.327","0.007","90","","1700.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-bromophenyl)-5-(4-tert-butylphenyl)furan","","","- C20 H19 Br O -","- C20 H19 Br O -","- C80 H76 Br4 O4 -","4","1","","Sniady, Adam; Durham, Audrey; Morreale, Marco S.; Wheeler, Kraig A.; Dembinski, Roman","Room temperature zinc chloride-catalyzed cycloisomerization of Alk-3-yn-1-ones: synthesis of substituted furans.","Organic letters","2007","9","7","1175","1178","10.1021/ol062539t","","","1.54178","CuKα","","0.0567","0.0467","","","0.1214","0.1307","","","","","","1.04","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505235","12.2411","0.0009","8.0506","0.0006","16.9934","0.0012","90","","97.352","0.001","90","","1660.9","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-phenyl-1H-indene)-1-spiro-3'-(indolin-2'-one)","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Basavaiah, Deevi; Reddy, Kanumuri Ramesh","Simple and one-pot protocol for synthesis of indene-spiro-oxindoles involving tandem Prins and Friedel-Crafts reactions.","Organic letters","2007","9","1","57","60","10.1021/ol062561m","","","0.71073","MoKα","","0.051","0.0425","","","0.1104","0.117","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505236","23.3988","0.0015","9.0998","0.0006","19.3653","0.0013","90","","113.243","0.001","90","","3788.7","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'[6-Methoxy-3-(4-methoxyphenyl) -1H-indene]-1-spiro-3'-(indolin-2'-one)","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C192 H152 N8 O24 -","8","2","","Basavaiah, Deevi; Reddy, Kanumuri Ramesh","Simple and one-pot protocol for synthesis of indene-spiro-oxindoles involving tandem Prins and Friedel-Crafts reactions.","Organic letters","2007","9","1","57","60","10.1021/ol062561m","","","0.71073","MoKα","","0.1204","0.0661","","","0.0998","0.1138","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505237","12.038","0.002","12.112","0.002","14.089","0.002","90","","114.892","0.003","90","","1863.4","0.5","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3-Phenyl-1H-indene)-1-spiro-3'-(1'-ethylindolin-2'-one)","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Basavaiah, Deevi; Reddy, Kanumuri Ramesh","Simple and one-pot protocol for synthesis of indene-spiro-oxindoles involving tandem Prins and Friedel-Crafts reactions.","Organic letters","2007","9","1","57","60","10.1021/ol062561m","","","0.71073","MoKα","","0.0822","0.0522","","","0.1277","0.1397","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505238","11.237","0.003","17.495","0.004","14.195","0.004","90","","94.841","0.005","90","","2780.7","1.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3-Bis(2,2-diphenylvinyl)indolin-2-one","","- C36 H27 N O -","- C36 H27 N O -","- C144 H108 N4 O4 -","4","1","","Basavaiah, Deevi; Reddy, Kanumuri Ramesh","Simple and one-pot protocol for synthesis of indene-spiro-oxindoles involving tandem Prins and Friedel-Crafts reactions.","Organic letters","2007","9","1","57","60","10.1021/ol062561m","","","0.71073","MoKα","","0.1261","0.0482","","","0.0865","0.106","","","","","","0.867","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505239","16.109","0.007","9.036","0.003","19.383","0.008","90","0.007","94.544","0.007","90","0.007","2812.5","1.9","150.1","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C82 H66 -","- C82 H66 -","- C164 H132 -","2","0.5","","Kubo, Takashi; Shimizu, Akihiro; Uruichi, Mikio; Yakushi, Kyuya; Nakano, Masayoshi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Morita, Yasushi; Nakasuji, Kazuhiro","Singlet biradical character of phenalenyl-based Kekulé hydrocarbon with naphthoquinoid structure.","Organic letters","2007","9","1","81","84","10.1021/ol062604z","","","0.7107","MoKα","","","0.0705","","","","0.1841","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505240","8.9171","0.0015","10.8286","0.0017","11.756","0.002","90","0.0007","94.3574","0.0007","90","0.0007","1131.9","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 S2 Si2 -","- C26 H22 S2 Si2 -","- C52 H44 S4 Si4 -","2","0.5","","Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro","Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.","Organic letters","2007","9","1","93","96","10.1021/ol062615s","","","0.7107","MoKα","","0.032","0.028","","","0.0741","0.076","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505241","11.383","0.003","6.8442","0.0018","15.037","0.004","90","","93.264","0.004","90","","1169.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 S2 Si2 -","- C26 H22 S2 Si2 -","- C52 H44 S4 Si4 -","2","0.5","","Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro","Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.","Organic letters","2007","9","1","93","96","10.1021/ol062615s","","","0.7107","MoKα","","0.0366","0.0309","","","0.0827","0.0849","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505242","8.8891","0.0016","9.8528","0.0018","26.162","0.005","90","0.001","90.8205","0.001","90","0.001","2291.1","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Se2 Si2 -","- C26 H22 Se2 Si2 -","- C104 H88 Se8 Si8 -","4","1","","Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro","Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.","Organic letters","2007","9","1","93","96","10.1021/ol062615s","","","0.7107","MoKα","","0.0353","0.0282","","","0.0652","0.0688","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505243","13.042","0.004","6.878","0.002","14.555","0.005","90","0.0011","106.698","0.0014","90","0.0011","1250.6","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H22 O4 S2 Si2 -","- C26 H22 O4 S2 Si2 -","- C52 H44 O8 S4 Si4 -","2","0.5","","Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro","Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.","Organic letters","2007","9","1","93","96","10.1021/ol062615s","","","0.7107","MoKα","","0.07","0.0523","","","0.1107","0.1198","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505244","9.057","0.003","13.776","0.004","10.813","0.004","90","0.0009","113.927","0.0011","90","0.0009","1233.2","0.7","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O4 S2 Si2 -","- C26 H22 O4 S2 Si2 -","- C52 H44 O8 S4 Si4 -","2","0.5","","Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro","Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.","Organic letters","2007","9","1","93","96","10.1021/ol062615s","","","0.7107","MoKα","","0.0675","0.0498","","","0.1139","0.1239","","","","","","1.115","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505245","5.9407","0.0012","10.466","0.002","9.3103","0.0019","90","","90","0.03","90","","578.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C22 H38 N2 O8 -","2","1","","Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru","trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes.","Organic letters","2007","9","2","207","209","10.1021/ol062621o","","","0.71073","MoKα","","0.067","0.0493","","","0.125","0.136","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505246","9.6762","0.001","11.9288","0.0013","19.077","0.002","90","","90","","90","","2202","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru","trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes.","Organic letters","2007","9","2","207","209","10.1021/ol062621o","","","0.71073","MoKα","","0.1418","0.0545","","","0.1338","0.1916","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505247","8.3847","0.0017","10.637","0.002","22.556","0.005","90","","90","","90","","2011.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H33 N O4 Si -","- C17 H33 N O4 Si -","- C68 H132 N4 O16 Si4 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru","trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes.","Organic letters","2007","9","2","207","209","10.1021/ol062621o","","","0.71073","MoKα","","0.2339","0.0666","","","0.1517","0.2074","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505248","8.1168","0.0019","10.068","0.002","11.493","0.003","93.001","0.004","98.563","0.004","98.08","0.004","916.9","0.4","292","2","292","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H22 -","- C25 H22 -","- C50 H44 -","2","1","","Shao, Li-Xiong; Zhang, Yun-Peng; Qi, Ming-Hui; Shi, Min","Lewis acid catalyzed rearrangement of vinylcyclopropenes for the construction of naphthalene and indene skeletons.","Organic letters","2007","9","1","117","120","10.1021/ol0626746","","","0.71073","MoKα","","0.0933","0.0655","","","0.1722","0.1867","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505249","12.5896","0.0012","9.1294","0.0008","17.6833","0.0016","90","","102.192","0.002","90","","1986.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F2 -","- C25 H20 F2 -","- C100 H80 F8 -","4","1","","Shao, Li-Xiong; Zhang, Yun-Peng; Qi, Ming-Hui; Shi, Min","Lewis acid catalyzed rearrangement of vinylcyclopropenes for the construction of naphthalene and indene skeletons.","Organic letters","2007","9","1","117","120","10.1021/ol0626746","","","0.71073","MoKα","","0.0733","0.0431","","","0.1098","0.121","","","","","","0.895","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505250","5.51","0.01","15.22","0.01","10.76","0.01","90","","95.3","0.1","90","","898.5","1.9","296.2","","296.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Br N3 O4 -","- C18 H20 Br N3 O4 -","- C36 H40 Br2 N6 O8 -","2","1","","Suga, Hiroyuki; Funyu, Akira; Kakehi, Akikazu","Highly enantioselective and diastereoselective 1,3-dipolar cycloaddition reactions between azomethine imines and 3-acryloyl-2-oxazolidinone catalyzed by binaphthyldiimine-Ni(II) complexes.","Organic letters","2007","9","1","97","100","10.1021/ol062675y","","","0.7107","MoKα","","0.0757","0.076","","0.051","","0.051","","","4.054","","","4.05","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505251","6.2966","0.0001","12.3168","0.0003","26.7947","0.0007","90","","90","","90","","2078.04","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(1R,2S,6R,7R,10R)-1,10-dibromotricyclo[5.2.2.0^2,6^]undeca-4,8-diene","","- C11 H12 Br2 -","- C11 H12 Br2 -","- C88 H96 Br16 -","8","2","","Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal.","Organic letters","2007","9","1","113","115","10.1021/ol0626793","","","0.71073","MoKα","","0.0409","0.0261","","","0.0435","0.0473","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505252","9.6375","0.0008","10.0279","0.0008","11.1469","0.0009","90","","109.864","0.004","90","","1013.18","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4-dibromotetracyclo[6.2.1.0^2,7^.0^3,5^]undec-9-ene","","- C11 H12 Br2 -","- C11 H12 Br2 -","- C44 H48 Br8 -","4","1","","Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal.","Organic letters","2007","9","1","113","115","10.1021/ol0626793","","","0.71073","MoKα","","0.0248","0.0204","","","0.0524","0.0546","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505253","13.0891","0.0012","10.9312","0.0009","14.527","0.0013","90","","90","","90","","2078.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4,5exo-dibromo-endo-tricyclo[6.2.1.0^2,7^]undeca-3,9-diene","","- C11 H12 Br2 -","- C11 H12 Br2 -","- C88 H96 Br16 -","8","2","","Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal.","Organic letters","2007","9","1","113","115","10.1021/ol0626793","","","0.71073","MoKα","","0.0387","0.0277","","","0.0627","0.0669","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505254","12.886","0.003","11.131","0.002","7.185","0.001","90","","90","","90","","1030.6","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","rac-(1R,2S,6R,7R,10R)-1,10-dibromotricyclo[5.2.2.0^2,6^]undeca-3,8-diene","","- C11 H12 Br2 -","- C11 H12 Br2 -","- C44 H48 Br8 -","4","1","","Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal.","Organic letters","2007","9","1","113","115","10.1021/ol0626793","","","0.71073","MoKα","","0.0255","0.0199","","","0.0369","0.0378","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505255","7.615","0.016","9.91","0.02","12.33","0.02","98.11","0.02","96.8","0.02","96.62","0.03","906","3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 I O4 -","- C20 H17 I O4 -","- C40 H34 I2 O8 -","2","1","","Bi, Hai-Peng; Guo, Li-Na; Duan, Xin-Hua; Gou, Fa-Rong; Huang, Shu-Hao; Liu, Xue-Yuan; Liang, Yong-Min","Highly regio- and stereoselective synthesis of indene derivatives via electrophilic cyclization.","Organic letters","2007","9","3","397","400","10.1021/ol062683e","","","0.71073","MoKα","","0.0992","0.0789","","","0.1902","0.2136","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505256","10.437","0.004","14.854","0.005","15.209","0.005","78.149","0.007","73.206","0.007","81.63","0.006","2199.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 N11 O14 Zn2 -","- C41 H43 N11 O14 Zn2 -","- C82 H86 N22 O28 Zn4 -","2","1","","Lee, Han Na; Swamy, K. M. K.; Kim, Sook Kyung; Kwon, Ji-Young; Kim, Youngmee; Kim, Sung-Jin; Yoon, Yeo Joon; Yoon, Juyoung","Simple but effective way to sense pyrophosphate and inorganic phosphate by fluorescence changes.","Organic letters","2007","9","2","243","246","10.1021/ol062685z","","","0.71073","MoKα","","0.1754","0.0465","","","0.0687","0.0864","","","","","","0.497","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505257","9.153","0.002","15.111","0.001","10.39","0.001","90","","104.49","0.01","90","","1391.3","0.4","223.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Ni P S -","- C12 H19 Ni P S -","- C48 H76 Ni4 P4 S4 -","4","1","","Hua, Ruimao; Takeda, Hideaki; Onozawa, Shun-ya; Abe, Yoshimoto; Tanaka, Masato","Nickel-catalyzed thioallylation of alkynes with allyl phenyl sulfides.","Organic letters","2007","9","2","263","266","10.1021/ol062686r","","","0.7107","MoKα","","","0.0295","","","","0.0966","","","","","","1.127","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505258","16.382","0.002","17.248","0.002","6.272","0.003","90","","90","","90","","1772.2","0.9","203.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 S -","- C23 H20 S -","- C92 H80 S4 -","4","1","","Hua, Ruimao; Takeda, Hideaki; Onozawa, Shun-ya; Abe, Yoshimoto; Tanaka, Masato","Nickel-catalyzed thioallylation of alkynes with allyl phenyl sulfides.","Organic letters","2007","9","2","263","266","10.1021/ol062686r","","","0.7107","MoKα","","","0.0412","","","","0.1035","","","","","","1.078","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505259","7.296","0.005","26.087","0.005","9.364","0.005","90","","126.758","0.005","90","","1427.9","1.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I N O3 -","- C14 H14 I N O3 -","- C56 H56 I4 N4 O12 -","4","1","","Conreaux, David; Bossharth, Emmanuel; Monteiro, Nuno; Desbordes, Philippe; Vors, Jean-Pierre; Balme, Geneviève","Flexible strategy for differentially 3,5-disubstituted 4-oxypyridin-2(1H)-ones based on site-selective Pd-catalyzed cross-coupling reactions.","Organic letters","2007","9","2","271","274","10.1021/ol062721u","","","0.71069","MoKα","","0.0643","0.0273","","0.0542","0.0308","0.0308","","","","","","1.0891","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505260","6.751","","11.662","","23.577","","90","","90","","90","","1856.22","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Xu, Gang; Hou, Ai-Jun; Zheng, Yong-Tang; Zhao, Yu; Li, Xiao-Li; Peng, Li-Yan; Zhao, Qin-Shi","Przewalskin B, a novel diterpenoid with an unprecedented skeleton from Salvia przewalskii maxim.","Organic letters","2007","9","2","291","293","10.1021/ol062748d","","","0.71073","MoKα","","0.1436","0.0752","","","0.1421","0.1671","","","","","","0.91","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505261","8.6574","0.0011","6.3454","0.0008","14.4396","0.0018","90","","102.638","0.002","90","","774.02","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Liu, Yuanhong; Song, Zhiquan; Yan, Bin","General and direct synthesis of 3-aminoindolizines and their analogues via Pd/Cu-catalyzed sequential cross-coupling/cycloisomerization reactions.","Organic letters","2007","9","3","409","412","10.1021/ol062766v","","","0.71073","MoKα","","0.0507","0.039","","","0.0821","0.0873","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505262","28.02","0.0012","10.6337","0.0003","10.9221","0.0004","90","","100.33","0.003","90","","3201.6","0.2","110.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 N6 -","- C42 H28 N6 -","- C168 H112 N24 -","4","0.5","","Han, Fu She; Higuchi, Masayoshi; Kurth, Dirk G.","Diverse synthesis of novel Bisterpyridines via Suzuki-type cross-coupling.","Organic letters","2007","9","4","559","562","10.1021/ol062788h","","","1.54187","CuKα","","","0.0445","","","","0.1404","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505263","6.0896","0.0011","22.401","0.004","26.176","0.005","90","","90","","90","","3570.8","1.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","1","","Ko, Haye Min; Lee, Dong Gil; Kim, Min Ah; Kim, Hak Joong; Park, Jaejoon; Lah, Myoung Soo; Lee, Eun","Total synthesis of (-)-blepharocalyxin D.","Organic letters","2007","9","1","141","144","10.1021/ol0627956","","","0.71073","MoKα","","0.1181","0.0691","","","0.1265","0.1417","","","","","","1.057","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505264","7.251","0.0004","8.4985","0.0005","14.7866","0.0009","96.0595","0.0017","106.766","0.0015","109.7","0.0014","800.33","0.08","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 Cl2 Ir N O -","- C15 H19 Cl2 Ir N O -","- C30 H38 Cl4 Ir2 N2 O2 -","2","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0438","","","","0.0571","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505265","7.2559","0.0002","13.5691","0.0003","8.4425","0.0002","90","","109.208","0.0009","90","","784.94","0.03","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl2 Ir N O -","- C15 H19 Cl2 Ir N O -","- C30 H38 Cl4 Ir2 N2 O2 -","2","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0298","","","","0.0298","","","","","","0.926","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505266","14.1344","0.0004","14.996","0.0004","15.2331","0.0004","90","","90","","90","","3228.8","0.15","173.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 Ir N O -","- C15 H19 Cl2 Ir N O -","- C120 H152 Cl16 Ir8 N8 O8 -","8","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0271","","","","0.031","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505267","7.848","0.0002","12.7189","0.0003","15.2177","0.0004","90","","90","","90","","1519","0.07","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl Ir N O -","- C15 H19 Cl Ir N O -","- C60 H76 Cl4 Ir4 N4 O4 -","4","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0334","","","","0.0374","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505268","11.7745","0.0002","16.8129","0.0003","19.8021","0.0004","90","","90","","90","","3920.09","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 O7 S -","- C47 H50 O7 S -","- C188 H200 O28 S4 -","4","1","","Yakovenko, Anton V.; Boyko, Vyacheslav I.; Danylyuk, Oksana; Suwinska, Kinga; Lipkowski, Janusz; Kalchenko, Vitaly I.","Diastereoselective lower rim (1S)-camphorsulfonylation as the shortest way to the inherently chiral calix[4]arene.","Organic letters","2007","9","7","1183","1185","10.1021/ol0628513","","","0.71073","MoKα","","0.0487","0.0346","","","0.0675","0.0698","","","","","","0.961","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505269","11.1455","0.0002","15.2453","0.0003","11.5346","0.0002","90","","95.8198","0.0008","90","","1949.82","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Cl3 O7 S -","- C42 H45 Cl3 O7 S -","- C84 H90 Cl6 O14 S2 -","2","1","","Yakovenko, Anton V.; Boyko, Vyacheslav I.; Danylyuk, Oksana; Suwinska, Kinga; Lipkowski, Janusz; Kalchenko, Vitaly I.","Diastereoselective lower rim (1S)-camphorsulfonylation as the shortest way to the inherently chiral calix[4]arene.","Organic letters","2007","9","7","1183","1185","10.1021/ol0628513","","","0.71073","MoKα","","0.0555","0.0423","","","0.1027","0.1079","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505270","14.0769","0.0008","10.8418","0.0006","30.997","0.0017","90","","98.333","0.001","90","","4680.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H60 O10 S2 -","- C48.5 H56 O10 S2 -","- C194 H224 O40 S8 -","4","1","","Lee, Jai Young; Kwon, Jongchul; Park, Chul Soon; Lee, Ji-Eun; Sim, Wonbo; Kim, Jong Seung; Seo, Joobeom; Yoon, Il; Jung, Jong Hwa; Lee, Shim Sung","Calix[4]thiacrowns as ditopic hosts for homo- and heterobinuclear accommodation: first report of a chopsticks-type pi-coordination.","Organic letters","2007","9","3","493","496","10.1021/ol062863o","","","0.71073","MoKα","","0.1259","0.075","","","0.2282","0.2672","","","","","","1.093","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505271","18.5095","0.0016","11.1086","0.001","22.85","0.002","90","","90","","90","","4698.3","0.7","546","2","546","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C48 H60 O8 S4 -","- C48 H60 O8 S4 -","- C192 H240 O32 S16 -","4","1","","Lee, Jai Young; Kwon, Jongchul; Park, Chul Soon; Lee, Ji-Eun; Sim, Wonbo; Kim, Jong Seung; Seo, Joobeom; Yoon, Il; Jung, Jong Hwa; Lee, Shim Sung","Calix[4]thiacrowns as ditopic hosts for homo- and heterobinuclear accommodation: first report of a chopsticks-type pi-coordination.","Organic letters","2007","9","3","493","496","10.1021/ol062863o","","","0.71073","MoKα","","0.168","0.0808","","","0.1443","0.1734","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505272","16.4451","0.001","17.1416","0.001","21.7675","0.0012","90","","96.026","0.001","90","","6102.3","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H37 Ag F6 N O5 P S2 -","- C27 H37 Ag F6 N O5 P S2 -","- C216 H296 Ag8 F48 N8 O40 P8 S16 -","8","1","","Lee, Jai Young; Kwon, Jongchul; Park, Chul Soon; Lee, Ji-Eun; Sim, Wonbo; Kim, Jong Seung; Seo, Joobeom; Yoon, Il; Jung, Jong Hwa; Lee, Shim Sung","Calix[4]thiacrowns as ditopic hosts for homo- and heterobinuclear accommodation: first report of a chopsticks-type pi-coordination.","Organic letters","2007","9","3","493","496","10.1021/ol062863o","","","0.71073","MoKα","","0.0517","0.0351","","","0.0821","0.0906","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505273","10.9278","0.0012","10.6803","0.0011","24.621","0.003","90","","90","","90","","2873.6","0.6","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G.","Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template.","Organic letters","2007","9","4","615","618","10.1021/ol062869d","","","0.71073","MoKα","","0.0642","0.0401","","","0.0977","0.115","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505274","7.434","0.003","11.335","0.005","16.304","0.007","90","","90","","90","","1373.8","1","210","2","210","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G.","Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template.","Organic letters","2007","9","4","615","618","10.1021/ol062869d","","","0.71073","MoKα","","0.0348","0.0307","","","0.0826","0.0851","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505275","8.2927","0.0016","9.8597","0.0019","10.814","0.002","104.025","0.002","103.657","0.002","95.315","0.002","823","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C36 H44 N4 O10 -","2","1","","Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G.","Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template.","Organic letters","2007","9","4","615","618","10.1021/ol062869d","","","0.71073","MoKα","","0.0772","0.0505","","","0.1278","0.1445","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505276","8.6357","0.0017","9.0665","0.0018","15.412","0.003","90","","90","","90","","1206.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0861","0.0487","","","0.1319","0.1497","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505277","8.0623","0.0012","10.3743","0.0016","15.809","0.002","90","","90","","90","","1322.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0863","0.0419","","","0.101","0.1241","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505278","7.241","0.0009","8.3118","0.0011","9.2383","0.0012","90","","112.902","0.002","90","","512.18","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0388","0.035","","","0.0876","0.0911","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505279","7.1732","0.0019","7.1417","0.0019","14.467","0.004","90","","96.269","0.005","90","","736.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C26 H42 N2 O12 -","2","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0565","0.0378","","","0.0909","0.1045","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505280","7.6885","0.0002","13.6801","0.0003","8.0672","0.0002","90","","106.725","0.001","90","","812.61","0.03","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Li, Hao; Wang, Jian; Xie, Hexin; Zu, Liansuo; Jiang, Wei; Duesler, Eileen N.; Wang, Wei","Chiral Diphenylprolinol TES ether promoted conjugate addition-aldol-dehydration reactions between alpha,beta-unsaturated aldehydes and 2-N-protected amino benzaldehydes.","Organic letters","2007","9","6","965","968","10.1021/ol062877u","","","0.71073","MoKα","","0.0548","0.0387","","","0.0953","0.1074","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505281","8.6266","0.0017","14.638","0.003","19.114","0.004","90","","90","","90","","2413.6","0.9","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N2 O3 -","- C26 H36 N2 O3 -","- C104 H144 N8 O12 -","4","1","","Sünnemann, Hans Wolf; Hofmeister, Anja; Magull, Jörg; Banwell, Martin G.; de Meijere, Armin","Stille/Diels-Alder reaction sequences: diversity-oriented access to novel steroids.","Organic letters","2007","9","3","517","520","10.1021/ol062878m","","","0.71073","MoKα","","0.0413","0.0341","","","0.0715","0.0738","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505282","5.9811","0.0002","11.312","0.0003","33.5143","0.001","90","","90","","90","","2267.52","0.12","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O6 -","- C26 H36 O6 -","- C104 H144 O24 -","4","1","","Sünnemann, Hans Wolf; Hofmeister, Anja; Magull, Jörg; Banwell, Martin G.; de Meijere, Armin","Stille/Diels-Alder reaction sequences: diversity-oriented access to novel steroids.","Organic letters","2007","9","3","517","520","10.1021/ol062878m","","","0.71073","MoKα","","0.0282","0.026","","","0.0652","0.0662","","","","","","0.996","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505283","23.8","0.01","6.428","0.003","15.69","0.008","90","","121.35","0.02","90","","2049.9","1.7","93.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H26 N2 O7 -","- C22 H26 N2 O7 -","- C88 H104 N8 O28 -","4","1","","Watanabe, Hideaki; Takano, Masashi; Umino, Akinori; Ito, Toshiya; Ishikawa, Hiroyuki; Nakada, Masahisa","Enantioselective total synthesis of (-)-erinacine B.","Organic letters","2007","9","2","359","362","10.1021/ol0628816","","","0.7107","MoKα","","","0.032","","","","0.089","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505284","14.8357","0.0003","27.4469","0.0006","34.5254","0.001","90","","93.01","0.01","90","","14039.1","0.6","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C148 H176 O26 -","- C136 H152 O20 -","- C544 H608 O80 -","4","1","","Srinivasan, Kannupal; Gibb, Bruce C.","Electrophilic substitution of deep cavity cavitands: selective exo functionalization of molecular concavity.","Organic letters","2007","9","5","745","748","10.1021/ol062897w","","","0.71073","MoKα","","0.2153","0.1048","","","0.1762","0.1867","","","","","","1.926","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505285","11.681","0.004","14.113","0.004","14.416","0.005","90","","99.034","0.007","90","","2347.1","1.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Cl2 N6 O16 -","- C44 H54 Cl2 N6 O16 -","- C88 H108 Cl4 N12 O32 -","2","0.5","","Li, Liwei; Clarkson, Guy J.","New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.","Organic letters","2007","9","3","497","500","10.1021/ol062912x","","","0.71073","MoKα","","0.1275","0.0524","","","0.1174","0.1403","","","","","","0.894","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505286","12.05","0.002","14.681","0.003","13.807","0.003","90","","91.924","0.006","90","","2441.2","0.8","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 F12 N6 O8 P2 -","- C44 H54 F12 N6 O8 P2 -","- C88 H108 F24 N12 O16 P4 -","2","0.5","","Li, Liwei; Clarkson, Guy J.","New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.","Organic letters","2007","9","3","497","500","10.1021/ol062912x","","","0.71073","MoKα","","0.1277","0.0609","","","0.1341","0.1584","","","","","","1","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505287","8.9434","0.0004","11.1496","0.0006","12.0657","0.0006","81.761","0.001","80.448","0.001","77.741","0.001","1152.09","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Cl2 N6 O20 -","- C42 H54 Cl2 N6 O20 -","- C42 H54 Cl2 N6 O20 -","1","0.5","","Li, Liwei; Clarkson, Guy J.","New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.","Organic letters","2007","9","3","497","500","10.1021/ol062912x","","","0.71073","MoKα","","0.0676","0.0439","","","0.1023","0.1088","","","","","","0.908","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505288","9.087","0.002","11.84","0.003","12.043","0.003","87.468","0.006","86.957","0.007","84.55","0.006","1287","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 F6 N6 O18 S2 -","- C44 H54 F6 N6 O18 S2 -","- C44 H54 F6 N6 O18 S2 -","1","0.5","","Li, Liwei; Clarkson, Guy J.","New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.","Organic letters","2007","9","3","497","500","10.1021/ol062912x","","","0.71073","MoKα","","0.1373","0.0785","","","0.1602","0.1987","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505289","11.526","0.01","14.191","0.013","14.332","0.013","90","","100.314","0.015","90","","2306","4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 B2 F8 N6 O8 -","- C44 H54 B2 F8 N6 O8 -","- C88 H108 B4 F16 N12 O16 -","2","0.5","","Li, Liwei; Clarkson, Guy J.","New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.","Organic letters","2007","9","3","497","500","10.1021/ol062912x","","","0.71073","MoKα","","0.0818","0.0614","","","0.15","0.1615","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505290","11.863","0.011","14.597","0.013","14.378","0.013","90","","90.232","0.016","90","","2490","4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 F12 N6 O12 P2 -","- C42 H54 F12 N6 O12 P2 -","- C84 H108 F24 N12 O24 P4 -","2","0.5","","Li, Liwei; Clarkson, Guy J.","New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.","Organic letters","2007","9","3","497","500","10.1021/ol062912x","","","0.71073","MoKα","","0.1089","0.0669","","","0.1677","0.1906","","","","","","1.028","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505291","8.8787","0.0016","11.0339","0.0013","12.038","0.002","81.477","0.012","79.33","0.015","77.735","0.012","1125.2","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 B2 F8 N6 O12 -","- C42 H54 B2 F8 N6 O12 -","- C42 H54 B2 F8 N6 O12 -","1","0.5","","Li, Liwei; Clarkson, Guy J.","New bis(benzimidazole) cations for threading through dibenzo-24-crown-8.","Organic letters","2007","9","3","497","500","10.1021/ol062912x","","","0.71073","MoKα","","0.0889","0.0594","","","0.1653","0.1736","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505292","7.3631","0.0007","7.7051","0.0007","41.717","0.004","90","","90","","90","","2366.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 B Br N -","- C12 H13 B Br N -","- C96 H104 B8 Br8 N8 -","8","2","","Pan, Jun; Kampf, Jeff W.; Ashe, 3rd, Arthur J","Electrophilic aromatic substitution reactions of 1,2-dihydro-1,2-azaborines.","Organic letters","2007","9","4","679","681","10.1021/ol062968r","","","0.71073","MoKα","","0.0326","0.031","","","0.0719","0.0724","","","","","","1.24","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505293","28.966","0.003","6.2068","0.0006","7.5794","0.0007","90","","102.961","0.002","90","","1328","0.2","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H13 Cl -","- C18 H13 Cl -","- C72 H52 Cl4 -","4","1","","Su, Weike; Jin, Can","First catalytic and green synthesis of aryl-(Z)-vinyl chlorides and its plausible addition-elimination mechanism.","Organic letters","2007","9","6","993","996","10.1021/ol062991c","","","0.71073","MoKα","","0.0362","0.0356","","","0.0897","0.0901","","","","","","1.162","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505294","11.214","0.005","5.672","0.002","13.715","0.006","90","","105.745","0.007","90","","839.6","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Kotkar, Shriram P.; Chavan, Vilas B.; Sudalai, Arumugam","Organocatalytic sequential alpha-amination-Horner-Wadsworth-Emmons olefination of aldehydes: enantioselective synthesis of gamma-amino-alpha,beta-unsaturated esters.","Organic letters","2007","9","6","1001","1004","10.1021/ol063012j","","","0.71073","MoKα","","0.0627","0.0426","","","0.0797","0.0887","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505295","10.3024","0.0011","13.1964","0.0013","11.0369","0.0011","90","","91.614","0.002","90","","1499.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","2","","Sliwinska, Anna; Czardybon, Wojciech; Warkentin, John","Zwitterion from a cyclopropane with geminal donor and acceptor groups.","Organic letters","2007","9","4","695","698","10.1021/ol063021s","","","0.71073","MoKα","","0.053","0.0449","","","0.1153","0.1222","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505296","24.9214","0.0014","9.2923","0.0005","14.641","0.0008","90","","121.845","0.002","90","","2880.2","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C128 H160 N16 O16 -","8","1","","Sliwinska, Anna; Czardybon, Wojciech; Warkentin, John","Zwitterion from a cyclopropane with geminal donor and acceptor groups.","Organic letters","2007","9","4","695","698","10.1021/ol063021s","","","1.54178","CuKα","","0.0525","0.0379","","","0.0969","0.1061","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505297","5.811","0.003","20.027","0.01","12.31","0.005","90","","113.28","0.02","90","","1316","1.1","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br2 N2 O2 -","- C13 H12 Br2 N2 O2 -","- C52 H48 Br8 N8 O8 -","4","1","","Meketa, Matthew L.; Weinreb, Steven M.","A new total synthesis of the zinc matrixmetalloproteinase inhibitor ageladine A featuring a biogenetically patterned 6pi-2-azatriene electrocyclization.","Organic letters","2007","9","5","853","855","10.1021/ol063038a","","","0.71073","MoKα","","0.0568","0.0434","","","0.1143","0.124","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505298","20.566","0.004","8.9517","0.0019","12.707","0.003","90","","105.591","0.014","90","","2253.3","0.9","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","beta(T2-T2)","3,3'-bi(thieno[3,2-b]thiophene)","","- C12 H6 S4 -","- C12 H6 S4 -","- C96 H48 S32 -","8","1","","San Miguel, Lidaris; Porter, 3rd, William W; Matzger, Adam J.","Planar beta-linked oligothiophenes based on thieno[3,2-b]thiophene and dithieno[3,2-b:2',3'-d]thiophene fused units.","Organic letters","2007","9","6","1005","1008","10.1021/ol0630393","","","1.5418","CuKα","","0.0503","0.0386","","","0.1151","0.1339","","","","","","1.182","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505299","27.992","0.005","10.3519","0.0018","11.1225","0.0019","90","","94.607","0.013","90","","3212.6","1","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","beta(T2-T2-T2)","3,3';6',3''-ter(thieno[3,2-b]thiophene)","","- C18 H8 S6 -","- C18 H8 S6 -","- C144 H64 S48 -","8","1","","San Miguel, Lidaris; Porter, 3rd, William W; Matzger, Adam J.","Planar beta-linked oligothiophenes based on thieno[3,2-b]thiophene and dithieno[3,2-b:2',3'-d]thiophene fused units.","Organic letters","2007","9","6","1005","1008","10.1021/ol0630393","","","1.5418","CuKα","","0.0989","0.0535","","","0.1188","0.1483","","","","","","0.934","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505300","11.677","0.003","3.9584","0.001","16.868","0.004","90","","108.18","0.017","90","","740.8","0.3","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","beta(T3-T3)","3,3'-bis(dithieno[3,2-b:2',3'-d]thiophene)","","- C16 H6 S6 -","- C16 H6 S6 -","- C32 H12 S12 -","2","0.5","","San Miguel, Lidaris; Porter, 3rd, William W; Matzger, Adam J.","Planar beta-linked oligothiophenes based on thieno[3,2-b]thiophene and dithieno[3,2-b:2',3'-d]thiophene fused units.","Organic letters","2007","9","6","1005","1008","10.1021/ol0630393","","","1.5418","CuKα","","0.0641","0.0475","","","0.1139","0.1228","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505301","9.4794","0.0006","12.9657","0.0009","16.3977","0.0011","96.245","0.001","103.061","0.001","103.806","0.001","1878.1","0.2","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C52 H44 -","- C52 H44 -","- C104 H88 -","2","1","","Zhang, Yanzhong; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structures of diindeno-fused 1,12-diphenylbenzo[c]phenanthrene and 1,14-diphenyl[5]helicene bearing severe helical twists.","Organic letters","2007","9","6","1025","1028","10.1021/ol063056s","","","0.71073","MoKα","","0.1164","0.0648","","","0.1594","0.1903","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505302","18.5363","0.0013","15.7011","0.0011","13.4032","0.0009","90","","93.638","0.001","90","","3893","0.5","295","2","295","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 -","- C56 H46 -","- C224 H184 -","4","0.5","","Zhang, Yanzhong; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structures of diindeno-fused 1,12-diphenylbenzo[c]phenanthrene and 1,14-diphenyl[5]helicene bearing severe helical twists.","Organic letters","2007","9","6","1025","1028","10.1021/ol063056s","","","0.71073","MoKα","","0.0803","0.0516","","","0.1341","0.155","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505303","12.8832","0.0008","14.0578","0.0009","20.2839","0.0013","90","","90","","90","","3673.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 I2 N4 Pd -","- C37 H36 Cl2 I2 N4 Pd -","- C148 H144 Cl8 I8 N16 Pd4 -","4","1","","Chen, Tao; Jiang, Jia-Jun; Xu, Qin; Shi, Min","Axially chiral NHC-Pd(II) complexes in the oxidative kinetic resolution of secondary alcohols using molecular oxygen as a terminal oxidant.","Organic letters","2007","9","5","865","868","10.1021/ol063061w","","","0.71073","MoKα","","0.0741","0.0543","","","0.1246","0.1327","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505304","13.3076","0.0006","13.3076","0.0006","27.1044","0.0015","90","","90","","90","","4800","0.4","93.1","","","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C48 H42 F12 N4 O4 S2 Zn -","- C48 H42 F12 N4 O4 S2 Zn -","- C192 H168 F48 N16 O16 S8 Zn4 -","4","0.5","","Honjo, Takashi; Nakao, Michiyasu; Sano, Shigeki; Shiro, Motoo; Yamaguchi, Kentaro; Sei, Yoshihisa; Nagao, Yoshimitsu","Nonenzymatic enantioselective monoacetylation of prochiral 2-protectedamino-2-alkyl-1,3-propanediols utilizing a chiral sulfonamide-Zn complex catalyst.","Organic letters","2007","9","3","509","512","10.1021/ol063063g","","","1.54178","CuKα","","","0.0515","","","","0.1081","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505305","6.5707","0.0006","8.7506","0.0008","15.3161","0.0014","90","","90","","90","","880.64","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0313","0.0303","","","0.079","0.08","","","","","","1.13","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505306","8.1273","0.0005","28.154","0.002","6.078","0.0004","90","","90","","90","","1390.74","0.16","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H24 O5 -","- C13 H24 O5 -","- C52 H96 O20 -","4","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0344","0.0336","","","0.0845","0.085","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505307","9.091","0.0014","7.4742","0.0011","9.4591","0.0014","90","","94.804","0.003","90","","640.47","0.17","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C26 H40 O10 -","2","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0349","0.0316","","","0.074","0.0753","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505308","9.695","0.0017","10.0104","0.0017","15.698","0.003","90","","90","","90","","1523.5","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0454","0.0396","","","0.1055","0.1112","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505309","23.712","0.001","15.364","0.001","12.061","0.001","90","","108.05","0.01","90","","4177.7","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 -","- C26 H21 N3 -","- C208 H168 N24 -","8","1","","Lyaskovskyy, Volodymyr; Bergander, Klaus; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Novel synthesis of azepine derivatives via copper-mediated cyclization of 2-aza-hepta-2,4-dien-6-ynyl anions. Intramolecular addition of organocopper centers to the C-C triple bond.","Organic letters","2007","9","6","1049","1052","10.1021/ol063081y","","","1.54178","CuKα","","0.0452","0.0412","","","0.1127","0.1169","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505310","18.143","0.001","5.596","0.001","18.413","0.001","90","","95.66","0.01","90","","1860.3","0.4","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N -","- C26 H21 N -","- C104 H84 N4 -","4","1","","Lyaskovskyy, Volodymyr; Bergander, Klaus; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Novel synthesis of azepine derivatives via copper-mediated cyclization of 2-aza-hepta-2,4-dien-6-ynyl anions. Intramolecular addition of organocopper centers to the C-C triple bond.","Organic letters","2007","9","6","1049","1052","10.1021/ol063081y","","","1.54178","CuKα","","0.0407","0.0399","","","0.1015","0.1023","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505311","9.2379","0.0006","9.1401","0.0006","14.956","0.0009","90","","102.026","0.001","90","","1235.1","0.14","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxy-4-[(1-phenylthio)cyclopropyl]-2-butanone","","- C13 H16 O2 S -","- C13 H16 O2 S -","- C52 H64 O8 S4 -","4","2","","Bernard, Angela M.; Frongia, Angelo; Guillot, Regis; Piras, Pier P.; Secci, Francesco; Spiga, Marco","l-Proline-catalyzed direct intermolecular asymmetric aldol reactions of 1-phenylthiocycloalkyl carboxaldehydes with ketones. Easy access to spiro- and fused-cyclobutyl tetrahydrofurans and cyclopentanones.","Organic letters","2007","9","3","541","544","10.1021/ol063084a","","x-ray","0.71073","MoKα","","0.0357","0.0284","","","0.0714","0.0749","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505312","6.5872","0.0002","9.5697","0.0002","20.8343","0.0005","90","","90","","90","","1313.34","0.06","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-hydroxy-4-[(1-phenylthio)cyclobutyl]-2-butanone","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Bernard, Angela M.; Frongia, Angelo; Guillot, Regis; Piras, Pier P.; Secci, Francesco; Spiga, Marco","l-Proline-catalyzed direct intermolecular asymmetric aldol reactions of 1-phenylthiocycloalkyl carboxaldehydes with ketones. Easy access to spiro- and fused-cyclobutyl tetrahydrofurans and cyclopentanones.","Organic letters","2007","9","3","541","544","10.1021/ol063084a","","x-ray","0.71073","MoKα","","0.0339","0.0288","","","0.0736","0.0761","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505313","10.9997","0.0008","7.7914","0.0006","14.7177","0.0011","90","","100.291","0.002","90","","1241.06","0.16","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-(phenylsulfonyl)-2-oxabicyclo[3.2.0]heptane","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","Bernard, Angela M.; Frongia, Angelo; Guillot, Regis; Piras, Pier P.; Secci, Francesco; Spiga, Marco","l-Proline-catalyzed direct intermolecular asymmetric aldol reactions of 1-phenylthiocycloalkyl carboxaldehydes with ketones. Easy access to spiro- and fused-cyclobutyl tetrahydrofurans and cyclopentanones.","Organic letters","2007","9","3","541","544","10.1021/ol063084a","","x-ray","0.71073","MoKα","","0.0468","0.0329","","","0.0914","0.0993","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505314","7.7681","0.001","7.3319","0.0009","21.899","0.003","90","","93.692","0.003","90","","1244.7","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-(phenylsulfonyl)-2-oxabicyclo[3.2.0]heptane","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","Bernard, Angela M.; Frongia, Angelo; Guillot, Regis; Piras, Pier P.; Secci, Francesco; Spiga, Marco","l-Proline-catalyzed direct intermolecular asymmetric aldol reactions of 1-phenylthiocycloalkyl carboxaldehydes with ketones. Easy access to spiro- and fused-cyclobutyl tetrahydrofurans and cyclopentanones.","Organic letters","2007","9","3","541","544","10.1021/ol063084a","","x-ray","0.71073","MoKα","","0.0717","0.0492","","","0.1102","0.1173","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505315","9.635","0.002","10.304","0.002","19.145","0.004","90","","90","","90","","1900.7","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O Si -","- C24 H22 O Si -","- C96 H88 O4 Si4 -","4","1","","Shen, Ruichao; Corey, E. J.","Studies of the stereochemistry of [2+2]-photocycloaddition reactions of 2-cyclohexenones with olefins.","Organic letters","2007","9","6","1057","1059","10.1021/ol063092r","","","0.71073","MoKα","","0.0407","0.0392","","","0.1005","0.1012","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505316","12.45","0.04","12.94","0.04","22.63","0.07","80.74","0.05","86.74","0.05","79.99","0.06","3542","19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 O2 S2 Si2 -","- C33 H40 O2 S2 Si2 -","- C132 H160 O8 S8 Si8 -","4","2","","Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Huang, Yan-Qin; Zhao, Bao-Min; Liu, Feng; Peng, Bo; Wei, Wei; Huang, Wei","An effective strategy to tune supramolecular interaction via a spiro-bridged spacer in oligothiophene-S,S-dioxides and their anomalous photoluminescent behavior.","Organic letters","2007","9","9","1619","1622","10.1021/ol070006u","","","0.71073","MoKα","","0.2879","0.0715","","","0.1559","0.2273","","","","","","0.556","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505317","55.844","0.004","13.8967","0.001","15.0754","0.001","90","","93.664","0.005","90","","11675.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H83.5 N4 S Si4 -","- C52 H83.5 N4 S Si4 -","- C416 H668 N32 S8 Si32 -","8","2","","Miao, Shaobin; Schleyer, Paul v R; Wu, Judy I.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","A thiadiazole-fused N,N-dihydroquinoxaline: antiaromatic but isolable.","Organic letters","2007","9","6","1073","1076","10.1021/ol070013i","","","1.54178","CuKα","","0.1927","0.1116","","","0.2979","0.3541","","","","","","1.024","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505318","20.39","0.004","18.3","0.004","22.938","0.005","90","","92.504","0.004","90","","8551","3","113","2","113","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C82 H86 F24 N7 O8.5 P4 -","- C82 H85 F24 N7 O8.5 P4 -","- C328 H340 F96 N28 O34 P16 -","4","2","","Peng, Xiao-Xia; Lu, Hai-Yan; Han, Tao; Chen, Chuan-Feng","Synthesis of a novel triptycene-based molecular tweezer and its complexation with paraquat derivatives.","Organic letters","2007","9","5","895","898","10.1021/ol070017n","","","0.7107","MoKα","","0.1033","0.0913","","","0.2487","0.2654","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505319","8.576","0.002","7.604","0.0018","24.573","0.006","90","","99.323","0.004","90","","1581.3","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Li, Wei-Dong Z; Wang, Xin-Wei","Novel formal synthesis of cephalotaxine via a facile Friedel-Crafts cyclization.","Organic letters","2007","9","7","1211","1214","10.1021/ol070024b","","","0.71073","MoKα","","0.0903","0.0454","","","0.1213","0.1451","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505320","7.477","0.009","10.37","0.013","11.367","0.014","92.785","0.014","94.308","0.016","92.272","0.015","877","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C36 H52 Cl2 N2 O8 -","2","1","","Li, Wei-Dong Z; Wang, Xin-Wei","Novel formal synthesis of cephalotaxine via a facile Friedel-Crafts cyclization.","Organic letters","2007","9","7","1211","1214","10.1021/ol070024b","","","0.71073","MoKα","","0.0714","0.0484","","","0.1387","0.1761","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505321","8.3368","0.0016","9.1981","0.0017","8.8279","0.0017","90","","115.081","0.003","90","","613.1","0.2","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 P S -","- C14 H13 P S -","- C28 H26 P2 S2 -","2","1","","Brunker, Tim J.; Anderson, Brian J.; Blank, Natalia F.; Glueck, David S.; Rheingold, Arnold L.","Enantioselective synthesis of P-stereogenic benzophospholanes via palladium-catalyzed intramolecular cyclization.","Organic letters","2007","9","6","1109","1112","10.1021/ol0700512","","","0.71073","MoKα","","0.0344","0.0339","","","0.0845","0.085","","","","","","1.163","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505322","9.4071","0.0012","11.3293","0.0016","12.9898","0.0016","90","","90","","90","","1384.4","0.3","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 B P -","- C15 H18 B P -","- C60 H72 B4 P4 -","4","1","","Brunker, Tim J.; Anderson, Brian J.; Blank, Natalia F.; Glueck, David S.; Rheingold, Arnold L.","Enantioselective synthesis of P-stereogenic benzophospholanes via palladium-catalyzed intramolecular cyclization.","Organic letters","2007","9","6","1109","1112","10.1021/ol0700512","","","0.71073","MoKα","","0.0478","0.0428","","","0.1105","0.1139","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505323","12.7723","0.0005","7.1792","0.0002","14.2615","0.0007","90","","105.767","0.0018","90","","1258.5","0.09","200","1","200","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Rostami, Ali; Wang, Yong; Arif, Atta M.; McDonald, Robert; West, F. G.","Intramolecular azide trapping of the Nazarov intermediate: formation of peroxy-bridged indolizidinones via a deep-seated rearrangement and aerobic oxidation.","Organic letters","2007","9","4","703","706","10.1021/ol070053m","","","0.71073","MoKα","","0.0506","0.039","","","0.093","0.0994","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505324","8.8461","0.0006","12.6516","0.0009","9.8467","0.0007","90","","95.999","0.001","90","","1095.98","0.13","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Rostami, Ali; Wang, Yong; Arif, Atta M.; McDonald, Robert; West, F. G.","Intramolecular azide trapping of the Nazarov intermediate: formation of peroxy-bridged indolizidinones via a deep-seated rearrangement and aerobic oxidation.","Organic letters","2007","9","4","703","706","10.1021/ol070053m","","","0.71073","MoKα","","0.0456","0.0398","","","0.1052","0.1101","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505325","16.168","0.003","16.531","0.002","16.623","0.004","98.556","0.017","118.638","0.016","90.865","0.017","3836.8","1.4","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Cl2 N S -","- C16 H25 Cl2 N S -","- C128 H200 Cl16 N8 S8 -","8","4","","Gonzalez, Ana Z.; Soderquist, John A.","Beta-silylated homopropargylic amines via the asymmetric allenylboration of aldimines.","Organic letters","2007","9","6","1081","1084","10.1021/ol070074g","","","0.71073","MoKα","","0.1687","0.0888","","","0.2582","0.3159","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505326","17.216","0.006","11.078","0.006","16.173","0.007","90","0.04","108.63","0.04","90","0.04","2923","2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C33 H36 O8 -","- C33 H36 O8 -","- C132 H144 O32 -","4","1","","Yang, Sheng-Ping; Gao, Zhao-Bing; Wang, Fang-Dao; Liao, Shang-Gao; Chen, Hua-Dong; Zhang, Chuan-Rui; Hu, Guo-Yuan; Yue, Jian-Min","Chlorahololides A and B, two potent and selective blockers of the potassium channel isolated from Chloranthus holostegius.","Organic letters","2007","9","5","903","906","10.1021/ol0700759","","","0.71073","MoKα","","0.0761","0.0366","","","0.0893","0.1039","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505327","6.5548","0.0002","11.6014","0.0004","22.6301","0.0008","90","","90","","90","","1720.9","0.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 N2 O -","- C18 H22 Cl2 N2 O -","- C72 H88 Cl8 N8 O4 -","4","1","","Miller, Kenneth A.; Martin, Stephen F.","Concise, enantioselective total synthesis of (-)-alstonerine.","Organic letters","2007","9","6","1113","1116","10.1021/ol0700761","","","0.71073","MoKα","","0.0638","0.0456","","","0.102","0.1115","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505328","21.502","0.003","12.3765","0.0015","27.044","0.003","90","","107.412","0.002","90","","6867.2","1.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 N O3 Si -","- C10 H17 N O3 Si -","- C240 H408 N24 O72 Si24 -","24","3","","Pidaparthi, Ramakrishna R.; Welker, Mark E.; Day, Cynthia S.; Wright, Marcus W.","Preparation of 2-trialkylsiloxy- substituted 1,3-dienes and their diels-alder/cross-coupling reactions.","Organic letters","2007","9","9","1623","1626","10.1021/ol070089e","","","0.71073","MoKα","","0.0706","0.0541","","","0.1309","0.1411","","","","","","1.04","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505329","11.545","0.002","10.647","0.002","12.953","0.003","90","","96.352","0.003","90","","1582.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O6 Si -","- C15 H21 N O6 Si -","- C60 H84 N4 O24 Si4 -","4","1","","Pidaparthi, Ramakrishna R.; Welker, Mark E.; Day, Cynthia S.; Wright, Marcus W.","Preparation of 2-trialkylsiloxy- substituted 1,3-dienes and their diels-alder/cross-coupling reactions.","Organic letters","2007","9","9","1623","1626","10.1021/ol070089e","","","0.71073","MoKα","","0.0977","0.0677","","","0.1725","0.1916","","","","","","1.035","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505330","12.445","0.002","15.623","0.003","13.259","0.002","90","","108.108","0.003","90","","2450.2","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 K O6 Si -","- C24 H29 K O6 Si -","- C96 H116 K4 O24 Si4 -","4","1","","Pidaparthi, Ramakrishna R.; Welker, Mark E.; Day, Cynthia S.; Wright, Marcus W.","Preparation of 2-trialkylsiloxy- substituted 1,3-dienes and their diels-alder/cross-coupling reactions.","Organic letters","2007","9","9","1623","1626","10.1021/ol070089e","","","0.71073","MoKα","","0.1187","0.0709","","","0.1337","0.1525","","","","","","1.047","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505331","21.557","0.003","6.5449","0.0008","24.219","0.003","90","","111.723","0.002","90","","3174.4","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","06266a","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C150 H156 N12 O18 -","6","3","","Antoline, Jennifer E.; Hsung, Richard P.; Huang, Jian; Song, Zhenlei; Li, Gang","Highly stereoselective [4 + 3] cycloadditions of nitrogen-stabilized oxyallyl cations with pyrroles: an approach to parvineostemonine.","Organic letters","2007","9","7","1275","1278","10.1021/ol070103n","","","0.71073","MoKα","","0.0865","0.0482","","","0.1156","0.1386","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505332","13.256","0.0011","8.107","0.0009","15.475","0.0015","90","","113.411","0.007","90","","1526.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N2 O5 P -","- C14 H17 N2 O5 P -","- C56 H68 N8 O20 P4 -","4","1","","Muruganantham, R.; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Base-mediated reaction of the Bestmann-Ohira reagent with nitroalkenes for the regioselective synthesis of phosphonylpyrazoles.","Organic letters","2007","9","6","1125","1128","10.1021/ol070107s","","","0.71073","MoKα","","0.1773","0.0664","","","0.1516","0.1879","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505333","12.1732","0.001","12.2995","0.001","12.9091","0.0011","98.217","0.002","112.027","0.002","101.331","0.001","1706.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","N-(rhodamine-6G)lactam-N-phenylthiourea-ethylenediamine","","- C37 H40 N6 O2 S -","- C37 H40 N6 O2 S -","- C74 H80 N12 O4 S2 -","2","1","","Wu, Jia-Sheng; Hwang, In-Chul; Kim, Kwang S.; Kim, Jong Seung","Rhodamine-based Hg2±selective chemodosimeter in aqueous solution: fluorescent OFF-ON.","Organic letters","2007","9","5","907","910","10.1021/ol070109c","","","0.71073","MoKα","","0.083","0.0693","","","0.1613","0.1705","","","","","","1.176","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505334","16.3149","0.0005","18.2602","0.0005","12.8582","0.0004","90","","108.045","0.001","90","","3642.21","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C176 H192 O32 -","8","1","","Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Electron transfer prompted ejection of a tightly bound K(+) from the ethereal cavity of a hexaarylbenzene-based receptor.","Organic letters","2007","9","7","1291","1294","10.1021/ol070122x","","","1.54178","CuKα","","0.0325","0.0316","","","0.0819","0.0826","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505335","41.8513","0.0006","20.8606","0.0003","20.4544","0.0003","90","","103.928","0.001","90","","17332.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H100 B K O14 -","- C96.645 H99 B K O16.887 -","- C773.16 H792 B8 K8 O135.096 -","8","1","","Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Electron transfer prompted ejection of a tightly bound K(+) from the ethereal cavity of a hexaarylbenzene-based receptor.","Organic letters","2007","9","7","1291","1294","10.1021/ol070122x","","","1.54178","CuKα","","0.0529","0.0515","","","0.1411","0.1424","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505336","21.612","0.002","5.5038","0.0006","11.8718","0.0012","90","","121.939","0.006","90","","1198.3","0.2","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H24 Cl2 N2 O2 -","- C31 H24 Cl2 N2 O2 -","- C62 H48 Cl4 N4 O4 -","2","0.5","","Wada, Azusa; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Enantioselective synthesis of C2 -symmetric spirobipyridine ligands through cationic Rh(I)/modified-BINAP- catalyzed double [2 + 2 + 2] cycloaddition.","Organic letters","2007","9","7","1295","1298","10.1021/ol070129e","","","1.54187","CuKα","","0.0321","0.0306","","","0.0787","0.0803","","","","","","1.043","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505337","12.239","0.007","22.483","0.012","9.188","0.005","90","","103.324","0.012","90","","2460","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl N2 O5 -","- C27 H29 Cl N2 O5 -","- C108 H116 Cl4 N8 O20 -","4","1","","Akritopoulou-Zanze, Irini; Whitehead, Alan; Waters, Jan E.; Henry, Rodger F.; Djuric, Stevan W.","Synthesis of novel and uniquely shaped 3-azabicyclo[4.2.0]octan-4-one derivatives by sequential Ugi/[2+2] ene-enone photocycloadditions.","Organic letters","2007","9","7","1299","1302","10.1021/ol070164l","","","0.71073","MoKα","","0.3085","0.1197","","","0.2337","0.3103","","","","","","0.868","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505338","9.0803","0.0009","21.286","0.002","9.9234","0.0009","90","","101.687","0.002","90","","1878.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Liu, Le-Ping; Lu, Jian-Mei; Shi, Min","PhI(OAc)2 -mediated novel 1,3-dipolar cycloaddition of methylenecyclopropanes (MCPs), vinylidenecyclopropanes (VCPs), and methylenecyclobutane (MCB) with phthalhydrazide.","Organic letters","2007","9","7","1303","1306","10.1021/ol070178r","","","0.71073","MoKα","","0.0693","0.047","","","0.1026","0.112","","","","","","0.921","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505339","8.1292","0.0011","5.7648","0.0008","12.434","0.002","90","","97.293","0.013","90","","577.98","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","2","1","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.1212","0.0733","","","0.1255","0.1354","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505340","11.1153","0.0015","5.4908","0.0008","16.1643","0.0017","90","","91.345","0.01","90","","986.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C32 H64 N8 O12 -","4","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.1322","0.0683","","","0.1548","0.1645","","","","","","0.749","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505341","12.5522","0.0014","5.516","0.0005","15.9248","0.0019","89.816","0.009","87.074","0.01","89.234","0.008","1101.1","0.2","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C36 H72 N8 O12 -","4","4","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.1079","0.1028","","","0.2926","0.2992","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505342","13.9345","0.0012","5.5848","0.0005","15.406","0.0013","90","","92.408","0.007","90","","1197.86","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","A new molecular scaffold for the formation of supramolecular peptide double helices: the crystallographic insight.","Organic letters","2007","9","7","1347","1350","10.1021/ol0701870","","","0.71073","MoKα","","0.0392","0.0317","","","0.0876","0.0901","","","","","","0.851","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505343","13.042","0.009","13.746","0.009","7.51","0.006","90","","90.74","0.05","90","","1346.2","1.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","SIMEON061","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Chanu, Angéline; Safir, Imad; Basak, Ramkrishna; Chiaroni, Angèle; Arseniyadis, Siméon","Enantioselective total synthesis of 1-epi-pathylactone A.","Organic letters","2007","9","7","1351","1354","10.1021/ol070207y","","","0.71073","MoKα","","0.0739","0.0623","","","0.1719","0.186","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505344","5.638","0.007","10.936","0.013","11.297","0.013","62.895","0.019","88.76","0.019","81.63","0.02","612.6","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 F3 O2 -","- C13 H13 F3 O2 -","- C26 H26 F6 O4 -","2","1","","Wang, Xiao-Jin; Zhao, Yan; Liu, Jin-Tao","Regiospecific organocatalytic asymmetric aldol reaction of methyl ketones and alpha,beta-unsaturated trifluoromethyl ketones.","Organic letters","2007","9","7","1343","1345","10.1021/ol070217z","","","0.71073","MoKα","","0.1355","0.0909","","","0.2339","0.2661","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505345","5.707","0.0009","7.7939","0.0012","15.67","0.002","90","","99.496","0.002","90","","687.45","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Br F3 O2 -","- C13 H12 Br F3 O2 -","- C26 H24 Br2 F6 O4 -","2","1","","Wang, Xiao-Jin; Zhao, Yan; Liu, Jin-Tao","Regiospecific organocatalytic asymmetric aldol reaction of methyl ketones and alpha,beta-unsaturated trifluoromethyl ketones.","Organic letters","2007","9","7","1343","1345","10.1021/ol070217z","","","0.71073","MoKα","","0.0715","0.0628","","","0.1573","0.1759","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505346","9.962","0.003","14.881","0.004","15.08","0.005","65.539","0.005","77.155","0.005","81.79","0.005","1980.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H88 Ca2 N4 O20 -","- C80 H88 Ca2 N4 O20 -","- C80 H88 Ca2 N4 O20 -","1","0.5","","Cotter, Juliet; Hogan, Anne-Marie L; O'Shea, Donal F","Development and application of a direct vinyl lithiation of cis-stilbene and a directed vinyl lithiation of an unsymmetrical cis-stilbene.","Organic letters","2007","9","8","1493","1496","10.1021/ol070239l","","","0.71073","MoKα","","0.1138","0.0513","","","0.0968","0.1162","","","","","","0.94","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505347","6.0929","0.0004","15.5857","0.0011","22.3343","0.0016","90","","90","","90","","2120.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","2","","Knapp, Spencer; Yu, Younong","Synthesis of the oxygenated pactamycin core.","Organic letters","2007","9","7","1359","1362","10.1021/ol0702472","","","0.71073","MoKα","","0.062","0.0475","","","0.1059","0.1136","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505348","20.9886","0.0018","22.092","0.003","22.856","0.006","104.509","0.006","104.619","0.006","94.833","0.006","9804","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C216 H244 F72 N48 O20 P12 Pd12 -","- C216 H244 F72 N48 O20 P12 Pd12 -","- C216 H244 F72 N48 O20 P12 Pd12 -","1","0.5","","Yu, Shu-Yan; Jiao, Qing; Li, Sheng-Hui; Huang, Hai-Ping; Li, Yi-Zhi; Pan, Yuan-Jiang; Sei, Yoshihisa; Yamaguchi, Kentaro","Self-assembly of tripyrazolate-linked macrotricyclic M(12)L(4) cages with dimetallic clips.","Organic letters","2007","9","7","1379","1382","10.1021/ol070286d","","","0.71073","MoKα","","0.0788","0.0499","","","0.0929","0.0973","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505349","18.7397","0.001","8.0855","0.0004","17.6231","0.0009","90","","109.35","0.001","90","","2519.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 O P S -","- C27 H35 O P S -","- C108 H140 O4 P4 S4 -","4","1","","Kondoh, Azusa; Yorimitsu, Hideki; Oshima, Koichiro","Palladium-catalyzed anti-hydrothiolation of 1-alkynylphosphines.","Organic letters","2007","9","7","1383","1385","10.1021/ol0702876","","","0.71073","MoKα","","0.0567","0.0453","","","0.1291","0.1364","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505350","9.8585","0.0012","10.0769","0.0012","10.5489","0.0012","96.168","0.002","113.843","0.002","103.781","0.002","906.12","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 Cl -","- C24 H19 Cl -","- C48 H38 Cl2 -","2","1","","Huang, Xian; Yang, Yewei","Acylation of alkylidenecyclopropanes for the facile synthesis of alpha,beta-unsaturated ketone and benzofulvene derivatives with high stereoselectivity.","Organic letters","2007","9","9","1667","1670","10.1021/ol070331h","","","0.71073","MoKα","","0.0817","0.0577","","","0.1378","0.1501","","","","","","0.926","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505351","11.087","0.002","13.811","0.003","14.609","0.003","90","","96.23","0.004","90","","2223.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cl O -","- C12 H13 Cl O -","- C96 H104 Cl8 O8 -","8","2","","Huang, Xian; Yang, Yewei","Acylation of alkylidenecyclopropanes for the facile synthesis of alpha,beta-unsaturated ketone and benzofulvene derivatives with high stereoselectivity.","Organic letters","2007","9","9","1667","1670","10.1021/ol070331h","","","0.71073","MoKα","","0.0922","0.0527","","","0.13","0.1493","","","","","","0.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505352","10.355","0.002","13.627","0.003","18.942","0.004","90.28","0.03","92.84","0.03","110.76","0.03","2495.5","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3f(I)","spiro[1,3-benzodioxine-2,1'-cyclohexane]","","- C32 H30 O3 -","- C32 H30 O3 -","- C128 H120 O12 -","4","2","","Wang, Pengfei; Hu, Huayou; Wang, Yun","Novel photolabile protecting group for carbonyl compounds.","Organic letters","2007","9","8","1533","1535","10.1021/ol070346f","","","0.71073","MoKα","","0.1333","0.0583","","","0.1496","0.1808","","","","","","0.995","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505353","14.6224","0.0007","24.827","0.0012","11.467","0.0006","90","","98.278","0.001","90","","4119.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H35 Cl2 N5 -","- C52 H35 Cl2 N5 -","- C208 H140 Cl8 N20 -","4","1","","Kashiwagi, Norimasa; Akeda, Takeshi; Morimoto, Tatsuki; Ishizuka, Tomoya; Furuta, Hiroyuki","Synthesis and isomerization of imino-fused N-confused porphyrin.","Organic letters","2007","9","9","1733","1736","10.1021/ol0703534","","","0.71073","MoKα","","0.134","0.0877","","","0.229","0.2642","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505354","7.7674","0.0005","26.8846","0.0017","17.828","0.0011","90","","99.531","0.002","90","","3671.5","0.4","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 N5 -","- C51 H33 N5 -","- C204 H132 N20 -","4","1","","Kashiwagi, Norimasa; Akeda, Takeshi; Morimoto, Tatsuki; Ishizuka, Tomoya; Furuta, Hiroyuki","Synthesis and isomerization of imino-fused N-confused porphyrin.","Organic letters","2007","9","9","1733","1736","10.1021/ol0703534","","","0.71073","MoKα","","0.1211","0.0523","","","0.1096","0.1322","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505355","11.677","0.002","12.549","0.002","15.744","0.003","89.721","0.004","70.098","0.005","71.093","0.004","2037.7","0.6","223","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H41 N5 -","- C54 H41 N5 -","- C108 H82 N10 -","2","1","","Kashiwagi, Norimasa; Akeda, Takeshi; Morimoto, Tatsuki; Ishizuka, Tomoya; Furuta, Hiroyuki","Synthesis and isomerization of imino-fused N-confused porphyrin.","Organic letters","2007","9","9","1733","1736","10.1021/ol0703534","","","0.71073","MoKα","","0.2292","0.0749","","","0.1261","0.1736","","","","","","0.91","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505356","4.9615","0.0015","9.864","0.003","46.603","0.015","90","","90","","90","","2280.8","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRp-Cl","","","- C29 H23 Cl N2 O -","- C29 H23 Cl N2 O -","- C116 H92 Cl4 N8 O4 -","4","1","","Rowland, Gerald B.; Rowland, Emily B.; Liang, Yuxue; Perman, Jason A.; Antilla, Jon C.","The highly enantioselective addition of indoles to N-acyl imines with use of a chiral phosphoric acid catalyst.","Organic letters","2007","9","14","2609","2611","10.1021/ol0703579","","","0.71073","MoKα","","0.0912","0.0737","","","0.1512","0.1628","","","","","","1.167","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505357","8.7778","0.0004","14.5771","0.0006","18.0574","0.0008","90","","90","","90","","2310.53","0.17","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Aza-5,5-dimethyl-10-ethoxycarbonyltricyclo[10.4.0.0(superscript 3,8)] hexadeca-3(8),10,12,14,16-pentaen-7-one","","- C24 H31 N O5 -","- C24 H31 N O5 -","- C96 H124 N4 O20 -","4","1","","Basavaiah, Deevi; Aravindu, Kunche","The Baylis-Hillman acetates as a valuable source for one-pot multistep synthesis: a facile synthesis of functionalized tri-/tetracyclic frameworks containing azocine moiety.","Organic letters","2007","9","13","2453","2456","10.1021/ol070380u","","","0.71073","MoKα","","0.0595","0.0494","","","0.1445","0.1525","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505358","9.3008","0.0013","13.4894","0.0019","13.871","0.002","90","","92.959","0.003","90","","1738","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Aza-14,15-dimethoxy-10-methoxycarbonyltricyclo[10.4.0.0(superscript 3,8)] hexadeca-3(8),10,12,14,16-pentaen-7-one","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Basavaiah, Deevi; Aravindu, Kunche","The Baylis-Hillman acetates as a valuable source for one-pot multistep synthesis: a facile synthesis of functionalized tri-/tetracyclic frameworks containing azocine moiety.","Organic letters","2007","9","13","2453","2456","10.1021/ol070380u","","","0.71073","MoKα","","0.0656","0.0432","","","0.106","0.1153","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505359","28.377","0.005","7.1394","0.0012","15.034","0.003","90","","121.081","0.002","90","","2608.5","0.8","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Aza-10-methoxycarbonyltricyclo[10.3.0.0(superscript 3,8)] pentadeca-1(12),3,5,7,9-pentaen-13-one","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Basavaiah, Deevi; Aravindu, Kunche","The Baylis-Hillman acetates as a valuable source for one-pot multistep synthesis: a facile synthesis of functionalized tri-/tetracyclic frameworks containing azocine moiety.","Organic letters","2007","9","13","2453","2456","10.1021/ol070380u","","","0.71073","MoKα","","0.0765","0.0483","","","0.1063","0.116","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505360","11.06","0.002","13.996","0.003","13.578","0.003","90","","112.323","0.003","90","","1944.3","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aza-19,19-dimethyl-14-methoxycarbonyltetracyclo[14.4.0.0(superscript 3,12). 0(superscript 4,9)]eicosa-1(16),3,5,7,9,11,13-heptaen-17-one","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Basavaiah, Deevi; Aravindu, Kunche","The Baylis-Hillman acetates as a valuable source for one-pot multistep synthesis: a facile synthesis of functionalized tri-/tetracyclic frameworks containing azocine moiety.","Organic letters","2007","9","13","2453","2456","10.1021/ol070380u","","","0.71073","MoKα","","0.0999","0.0434","","","0.0917","0.1071","","","","","","0.87","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505361","35.284","0.007","14.2","0.003","18.567","0.004","90","","116.7","0.03","90","","8311","4","143","2","143","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C68 H21 O9 -","- C68 H21 O9 -","- C544 H168 O72 -","8","1","","Wang, Fudong; Xiao, Zuo; Gan, Liangbing; Jia, Zhenshan; Jiang, Zhongping; Zhang, Shiwei; Zheng, Bo; Gu, Yuan","From fullerene-mixed peroxide to open-cage oxafulleroid C(59)(O)(3)(OH)(2)(OO(t)()Bu)(2) embedded with furan and lactone motifs.","Organic letters","2007","9","9","1741","1743","10.1021/ol070386j","","","0.71073","MoKα","","0.126","0.0617","","","0.147","0.1621","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505362","6.3462","0.0001","10.8112","0.0002","19.3646","0.0004","90","","92.4184","0.0011","90","","1327.42","0.04","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Fujioka, Hiromichi; Murai, Kenichi; Kubo, Ozora; Ohba, Yusuke; Kita, Yasuyuki","New three-component reaction: novel formation of a seven-membered ring by the unexpected reaction at the gamma-position of the beta-keto ester.","Organic letters","2007","9","9","1687","1690","10.1021/ol070402c","","","1.54187","CuKα","","","0.0532","","","","0.1374","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505363","36.322","0.005","13.144","0.005","25.296","0.005","90","0.005","132.682","0.005","90","0.005","8878","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Bromo-phenyl)-5a-hydroxy-7,7-dimethyl-3-phenyl-4,5,5a,6,7,8-hexahydro- 1H-1,2,9a-triaza-cyclopenta[a]naphthalen-9-one","","- C25 H26.5 Br N3 O2.25 -","- C25 H26.5 Br N3 O2.25 -","- C400 H424 Br16 N48 O36 -","16","2","","Chebanov, Valentin A.; Saraev, Vyacheslav E.; Desenko, Sergey M.; Chernenko, Vitaliy N.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Kobzar, Kiril M.; Kappe, C. Oliver","One-pot, multicomponent route to pyrazoloquinolizinones.","Organic letters","2007","9","9","1691","1694","10.1021/ol070411l","","","0.71069","MoKα","","0.1065","0.0656","","","0.162","0.1924","","","","","","0.967","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505364","23.5483","0.0014","11.9852","0.0007","26.1138","0.0015","90","","108.463","0.001","90","","6990.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H91 Cl3 O9 -","- C77 H82 Cl3 O9 -","- C308 H328 Cl12 O36 -","4","1","","Kuno, Lev; Seri, Noa; Biali, Silvio E.","Tetraaddition of PhLi to a ketocalixarene derivative.","Organic letters","2007","9","8","1577","1580","10.1021/ol070429w","","","0.71073","MoKα","","0.0831","0.0678","","","0.1804","0.1905","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505365","16.8655","0.0009","12.438","0.0006","16.02","0.0008","90","","94.15","0.001","90","","3351.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 I2 N2 O2 Pd -","- C34 H30 I2 N2 O2 Pd -","- C136 H120 I8 N8 O8 Pd4 -","4","1","","López-Alberca, María P; Mancheño, María J; Fernandez, Israel; Gómez-Gallego, Mar; Sierra, Miguel A.; Torres, Rosario","Divergent pathways in the reaction of Fischer carbenes and palladium.","Organic letters","2007","9","9","1757","1759","10.1021/ol070431n","","","0.71073","MoKα","","0.0957","0.038","","","0.0808","0.0954","","","","","","0.889","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505366","20.844","0.003","5.1846","0.0007","19.858","0.003","90","","117.621","0.004","90","","1901.4","0.5","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","","Zhou, Jingye; Snider, Barry B.","Biomimetic synthesis of the tetracyclic core of berkelic acid.","Organic letters","2007","9","11","2071","2074","10.1021/ol0704338","","","0.71073","MoKα","","0.0763","0.0513","","0.1447","0.1304","0.1447","","","","","","0.9088","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505367","15.527","0.004","10.577","0.003","17.467","0.004","90","","107.358","0.004","90","","2738","1.2","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 I N4 O8 -","- C28 H29 I N4 O8 -","- C112 H116 I4 N16 O32 -","4","1","","Chen, Yunfeng; She, Nengfang; Meng, Xianggao; Yin, Guodong; Wu, Anxin; Isaacs, Lyle","Chiral molecular clips control orthogonal crystalline organization.","Organic letters","2007","9","10","1899","1902","10.1021/ol0704340","","","0.71073","MoKα","","0.1042","0.0742","","","0.2154","0.2359","","","","","","1.079","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505368","12.8778","0.001","14.69","0.0011","17.433","0.0013","90","","102.971","0.002","90","","3213.7","0.4","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 O8 -","- C36 H34 N4 O8 -","- C144 H136 N16 O32 -","4","1","","Chen, Yunfeng; She, Nengfang; Meng, Xianggao; Yin, Guodong; Wu, Anxin; Isaacs, Lyle","Chiral molecular clips control orthogonal crystalline organization.","Organic letters","2007","9","10","1899","1902","10.1021/ol0704340","","","0.71073","mokα","","0.1442","0.0656","","","0.168","0.1934","","","","","","0.842","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505369","15.534","0.003","14.428","0.003","16.511","0.003","90","","114.274","0.003","90","","3373.4","1.1","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 N4 O9 -","- C37 H36 N4 O9 -","- C148 H144 N16 O36 -","4","1","","Chen, Yunfeng; She, Nengfang; Meng, Xianggao; Yin, Guodong; Wu, Anxin; Isaacs, Lyle","Chiral molecular clips control orthogonal crystalline organization.","Organic letters","2007","9","10","1899","1902","10.1021/ol0704340","","","0.71073","MoKα","","0.2097","0.0746","","","0.1463","0.1788","","","","","","0.837","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505370","12.683","0.005","21.153","0.008","12.275","0.005","90","","105.316","0.007","90","","3176","2","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N5 O8 -","- C32 H33 N5 O8 -","- C128 H132 N20 O32 -","4","1","","Chen, Yunfeng; She, Nengfang; Meng, Xianggao; Yin, Guodong; Wu, Anxin; Isaacs, Lyle","Chiral molecular clips control orthogonal crystalline organization.","Organic letters","2007","9","10","1899","1902","10.1021/ol0704340","","","0.71073","MoKα","","0.152","0.0769","","","0.2026","0.2328","","","","","","1.028","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505371","9.8983","0.0011","12.4761","0.0013","14.5525","0.0016","114.321","0.002","95.803","0.002","99.911","0.002","1583.3","0.3","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H35 N5 O8 -","- C36 H35 N5 O8 -","- C72 H70 N10 O16 -","2","1","","Chen, Yunfeng; She, Nengfang; Meng, Xianggao; Yin, Guodong; Wu, Anxin; Isaacs, Lyle","Chiral molecular clips control orthogonal crystalline organization.","Organic letters","2007","9","10","1899","1902","10.1021/ol0704340","","","0.71073","MoKα","","0.1584","0.0517","","","0.0766","0.0995","","","","","","0.726","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505372","32.003","0.003","29.92","0.003","15.6588","0.0015","90","","94.868","0.002","90","","14940","3","292","2","292","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C143 H144 Cl4 Cu2 I4 N20 O36 -","- C143 H144 Cl4 Cu2 I4 N20 O36 -","- C572 H576 Cl16 Cu8 I16 N80 O144 -","4","0.5","","Chen, Yunfeng; She, Nengfang; Meng, Xianggao; Yin, Guodong; Wu, Anxin; Isaacs, Lyle","Chiral molecular clips control orthogonal crystalline organization.","Organic letters","2007","9","10","1899","1902","10.1021/ol0704340","","","0.71073","MoKα","","0.2061","0.0967","","","0.2416","0.2842","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505373","10.6408","0.0008","6.0649","0.0005","13.6002","0.001","90","","101.346","0.004","90","","860.54","0.12","446","2","446","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O3 Si -","- C16 H21 N O3 Si -","- C32 H42 N2 O6 Si2 -","2","1","","Koo, Bonsuk; McDonald, Frank E.","Fischer carbene catalysis of alkynol cycloisomerization: application to the synthesis of the altromycin B disaccharide.","Organic letters","2007","9","9","1737","1740","10.1021/ol070435s","","","1.54178","CuKα","","0.0293","0.0279","","","0.0716","0.0729","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505374","11.461","0.0003","9.3131","0.0002","18.6652","0.0004","90","","106.458","0.0011","90","","1910.64","0.08","293","2","293","2","","","","","","","synthetised","4","P 1 21/n 1","-P 2yn","14","","1-(para-methoxybenzyl)-3'-pyrrolidinocarbonylspiro[3H-indole-3,2'-oxiran] -2(1H)-one","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Schulz, Verena; Davoust, Marion; Lemarié, Margareth; Lohier, Jean-François; Santos, Jana Sopkova de Oliveira; Metzner, Patrick; Brière, Jean-François","Straightforward stereoselective synthesis of spiro-epoxyoxindoles.","Organic letters","2007","9","9","1745","1748","10.1021/ol070439x","","","0.71073","MoKα","","0.0692","0.0487","","","0.1418","0.1694","","","","","","1.034","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505375","7.0535","0.0001","8.553","0.0002","10.4821","0.0002","93.399","0.001","95.478","0.001","98.802","0.001","620.31","0.02","100","2","100","2","","","","","","","synthetised","4","P -1","-P 1","2","","3'-benzoylspiro[3H-indole-3,2'-oxiran]-2(1H)-one","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C32 H22 N2 O6 -","2","1","","Schulz, Verena; Davoust, Marion; Lemarié, Margareth; Lohier, Jean-François; Santos, Jana Sopkova de Oliveira; Metzner, Patrick; Brière, Jean-François","Straightforward stereoselective synthesis of spiro-epoxyoxindoles.","Organic letters","2007","9","9","1745","1748","10.1021/ol070439x","","","0.71073","MoKα","","0.0731","0.0475","","","0.125","0.1454","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505376","6.6275","0.0006","8.0268","0.0008","15.9888","0.0016","76.221","0.002","89.339","0.002","84.059","0.002","821.58","0.14","100","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H22 Cl2 O5 -","- C15 H22 Cl2 O5 -","- C30 H44 Cl4 O10 -","2","1","","Khan, Faiz Ahmed; Rao, G. Hari Mangeswara; Satapathy, Rashmirekha; Parasuraman, Karuppasamy","Serendipitously discovered diazomethane-mediated novel molecular rearrangements of norbornyl alpha-ketohemiketals.","Organic letters","2007","9","8","1581","1584","10.1021/ol070442g","","","0.71073","MoKα","","0.0707","0.0503","","","0.1021","0.1491","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505377","8.5183","0.0008","10.7917","0.001","16.3","0.0015","90","","90","","90","","1498.4","0.2","100","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br2 O5 -","- C13 H18 Br2 O5 -","- C52 H72 Br8 O20 -","4","1","","Khan, Faiz Ahmed; Rao, G. Hari Mangeswara; Satapathy, Rashmirekha; Parasuraman, Karuppasamy","Serendipitously discovered diazomethane-mediated novel molecular rearrangements of norbornyl alpha-ketohemiketals.","Organic letters","2007","9","8","1581","1584","10.1021/ol070442g","","","0.71073","MoKα","","0.0526","0.0421","","","0.0898","0.1116","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505378","8.849","0.003","11.325","0.003","11.675","0.003","75.847","0.019","102.21","0.02","90.56","0.02","1107.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 O S -","- C30 H20 O S -","- C60 H40 O2 S2 -","2","1","","Lin, Yi-Chun; Lin, Chih-Hsiu","Synthesis of tetracene sulfoxide and tetracene sulfone via a cascade cyclization reaction.","Organic letters","2007","9","11","2075","2078","10.1021/ol070467f","","","0.71073","MoKα","","0.1327","0.0448","","","0.1145","0.1478","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505379","22.344","0.005","29.436","0.006","14.928","0.003","90","","90","","90","","9818","4","150","","150","","","","","","","","F. Douelle","6","F d d 2","F 2 -2d","43","","","","- C21 H20 I N3 O10 S -","- C21 H20 I N3 O10 S -","- C336 H320 I16 N48 O160 S16 -","16","1","","Douelle, Frederic; Capes, Amy S.; Greaney, Michael F.","Highly diastereoselective synthesis of vicinal quaternary and tertiary stereocenters using the iodo-aldol cyclization.","Organic letters","2007","9","10","1931","1934","10.1021/ol070482k","","","0.71073","MoKα","","0.0319","0.0295","","0.0666","0.0627","0.0666","","","","","","0.9975","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505380","13.2772","0.0003","14.9744","0.0003","13.9581","0.0003","90","","91.649","0.001","90","","2773.97","0.1","150","","150","","","","","","","","Frederic Douelle","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 I N3 O10 S -","- C23 H24 I N3 O10 S -","- C92 H96 I4 N12 O40 S4 -","4","1","","Douelle, Frederic; Capes, Amy S.; Greaney, Michael F.","Highly diastereoselective synthesis of vicinal quaternary and tertiary stereocenters using the iodo-aldol cyclization.","Organic letters","2007","9","10","1931","1934","10.1021/ol070482k","","","0.71073","MoKα","","0.0577","0.041","","0.1024","0.0982","0.1024","","","","","","0.9319","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505381","17.22","0.003","11.154","0.002","27.154","0.005","90","","90","","90","","5215.5","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 N3 O2 S -","- C28 H35 N3 O2 S -","- C224 H280 N24 O16 S8 -","8","1","","Xu, Xiaoliang; Cheng, Dongping; Li, Jinghua; Guo, Hongyun; Yan, Jie","Copper-catalyzed highly efficient multicomponent reactions: synthesis of 2-(sulfonylimino)-4-(alkylimino)azetidine derivatives.","Organic letters","2007","9","8","1585","1587","10.1021/ol070485x","","","0.71069","MoKα","","0.057","0.0411","","","0.109","0.1173","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505382","22.745","0.006","7.5665","0.0017","25.334","0.005","90","","113.35","0.02","90","","4002.9","1.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 O2 S2 -","- C26 H18 O2 S2 -","- C208 H144 O16 S16 -","8","2","","Kühni, Joël; Belser, Peter","Gated photochromism of 1,2-diarylethenes.","Organic letters","2007","9","10","1915","1918","10.1021/ol070487h","","","0.71073","MoKα","","0.3931","0.0838","","","0.1824","0.2898","","","","","","0.746","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505383","7.1901","0.0003","16.9644","0.0006","18.5261","0.0007","78.899","0.001","79.339","0.001","83.573","0.001","2172.34","0.14","144","2","144","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O8 -","- C23 H22 N2 O8 -","- C92 H88 N8 O32 -","4","2","","Abramite, Joseph A.; Sammakia, Tarek","Application of the intramolecular Yamamoto vinylogous aldol reaction to the synthesis of macrolides.","Organic letters","2007","9","11","2103","2106","10.1021/ol0704901","","","0.71073","MoKα","","0.1238","0.0688","","","0.1658","0.1966","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505384","8.4598","0.0005","11.1436","0.0007","11.9093","0.0007","103.344","0.001","111.13","0.001","99.178","0.001","981.85","0.1","148","2","148","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O8 -","- C21 H18 N2 O8 -","- C42 H36 N4 O16 -","2","1","","Abramite, Joseph A.; Sammakia, Tarek","Application of the intramolecular Yamamoto vinylogous aldol reaction to the synthesis of macrolides.","Organic letters","2007","9","11","2103","2106","10.1021/ol0704901","","","0.71073","MoKα","","0.0649","0.0576","","","0.1521","0.1613","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505385","10.0686","0.0005","22.4772","0.0013","10.2181","0.0006","90","","112.67","0.001","90","","2133.8","0.2","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O8 -","- C21 H18 N2 O8 -","- C84 H72 N8 O32 -","4","1","","Abramite, Joseph A.; Sammakia, Tarek","Application of the intramolecular Yamamoto vinylogous aldol reaction to the synthesis of macrolides.","Organic letters","2007","9","11","2103","2106","10.1021/ol0704901","","","0.71073","MoKα","","0.1083","0.0602","","","0.139","0.1561","","","","","","0.93","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505386","9.6672","0.0004","15.3296","0.0007","22.8756","0.0011","90","","90","","90","","3390","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 O6 S3 -","- C39 H42 O6 S3 -","- C156 H168 O24 S12 -","4","1","","Lélias-Vanderperre, Anne; Chambron, Jean-Claude; Espinosa, Enrique; Terrier, Peran; Leize-Wagner, Emmanuelle","Macrotricycles featuring a pi-basic tetrahedral cavity: preference for NH4+ detected by electrospray ionization mass spectrometry.","Organic letters","2007","9","16","2961","2964","10.1021/ol070498a","","","0.71073","MoKα","","0.029","0.0268","","","0.0663","0.0675","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505387","10.881","0.005","9.452","0.004","25.882","0.012","90","","97.981","0.008","90","","2636","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 N O2 -","- C31 H33 N O2 -","- C124 H132 N4 O8 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with ethyl (arylimino)acetates: a facile synthetic protocol for pyrrolidine and 1,2,3,4-tetrahydroquinoline derivatives.","Organic letters","2007","9","9","1805","1808","10.1021/ol070501q","","","0.71073","MoKα","","0.1141","0.0686","","","0.1976","0.2255","","","","","","0.945","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505388","10.4511","0.0004","18.9558","0.0007","9.7638","0.0004","90","","105.932","0.002","90","","1860","0.13","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Br2 O -","- C19 H26 Br2 O -","- C76 H104 Br8 O4 -","4","1","","Liu, Feng; Loh, Teck-Peng","Highly stereoselective prins cyclization of (Z)- and (E)-gamma-brominated homoallylic alcohols to 2,4,5,6-tetrasubstituted tetrahydropyrans.","Organic letters","2007","9","11","2063","2066","10.1021/ol070506n","","","0.71073","MoKα","","0.0426","0.0264","","","0.0553","0.0599","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505389","11.132","0.001","12.407","0.001","11.655","0.001","90","","107.67","0.01","90","","1533.8","0.2","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H40 O11 -","- C31 H40 O11 -","- C62 H80 O22 -","2","1","","Huang, Sheng-Xiong; Li, Rong-Tao; Liu, Jing-Ping; Lu, Yang; Chang, Ying; Lei, Chun; Xiao, Wei-Lie; Yang, Li-Bin; Zheng, Qi-Tai; Sun, Han-Dong","Isolation and characterization of biogenetically related highly oxygenated nortriterpenoids from Schisandra chinensis.","Organic letters","2007","9","11","2079","2082","10.1021/ol070510z","","","0.71073","MoKα","","0.0685","0.0666","","","0.1833","0.1883","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505390","8.214","0.002","15.608","0.005","11.522","0.003","90","","90.982","0.004","90","","1477","0.7","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O12 -","- C29 H38 O12 -","- C58 H76 O24 -","2","1","","Huang, Sheng-Xiong; Li, Rong-Tao; Liu, Jing-Ping; Lu, Yang; Chang, Ying; Lei, Chun; Xiao, Wei-Lie; Yang, Li-Bin; Zheng, Qi-Tai; Sun, Han-Dong","Isolation and characterization of biogenetically related highly oxygenated nortriterpenoids from Schisandra chinensis.","Organic letters","2007","9","11","2079","2082","10.1021/ol070510z","","","0.71073","MoKα","","0.0928","0.0429","","","0.1001","0.1266","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505391","11.5794","0.0003","13.935","0.0004","16.6418","0.0005","90","","105.578","0.001","90","","2586.66","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl2 N2 O Ru -","- C27 H30 Cl2 N2 O Ru -","- C108 H120 Cl8 N8 O4 Ru4 -","4","1","","Stewart, Ian C.; Ung, Thay; Pletnev, Alexandre A.; Berlin, Jacob M.; Grubbs, Robert H.; Schrodi, Yann","Highly efficient ruthenium catalysts for the formation of tetrasubstituted olefins via ring-closing metathesis.","Organic letters","2007","9","8","1589","1592","10.1021/ol0705144","","","0.71073","MoKα","","0.0575","0.0348","","","0.0652","0.0688","","","","","","1.35","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1505392","13.031","0.003","9.94","0.002","13.631","0.003","90","","113.908","0.013","90","","1614.1","0.6","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Shindo, Mitsuru; Yoshimura, Yutaka; Hayashi, Maiko; Soejima, Hiroe; Yoshikawa, Takashi; Matsumoto, Kenji; Shishido, Kozo","Synthesis of multisubstituted furans, pyrroles, and thiophenes via ynolates.","Organic letters","2007","9","10","1963","1966","10.1021/ol0705200","","","1.54187","CuKα","","","0.0397","","","","0.1064","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505393","10.483","0.002","11.118","0.002","15.144","0.003","90","","91.38","0.02","90","","1764.5","0.6","289","2","289","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O3 -","- C22 H19.25 N2 O3 -","- C88 H77 N8 O12 -","4","2","","Cai, Xiang-Hai; Du, Zhi-Zhi; Luo, Xiao-Dong","Unique monoterpenoid indole alkaloids from Alstonia scholaris.","Organic letters","2007","9","9","1817","1820","10.1021/ol0705301","","","0.71073","MoKα","","0.0465","0.0346","","","0.0756","0.0787","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505394","7.225","0.0014","12.294","0.003","24.673","0.005","90","","90.5","0.03","90","","2191.5","0.8","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","2","","Zou, Yefen; Chen, Chun-Hsing; Taylor, Christopher D.; Foxman, Bruce M.; Snider, Barry B.","Formal synthesis of (+/-)-platensimycin.","Organic letters","2007","9","9","1825","1828","10.1021/ol070563g","","","0.71073","MoKα","","0.0582","0.0409","","0.1027","0.0975","0.1027","","","","","","0.8545","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505395","8.7665","0.0003","10.4942","0.0003","12.5707","0.0004","72.629","0.002","73.576","0.002","79.924","0.002","1053.5","0.06","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","2","","Zou, Yefen; Chen, Chun-Hsing; Taylor, Christopher D.; Foxman, Bruce M.; Snider, Barry B.","Formal synthesis of (+/-)-platensimycin.","Organic letters","2007","9","9","1825","1828","10.1021/ol070563g","","","0.71073","MoKα","","0.0642","0.0441","","0.1152","0.1057","0.1152","","","","","","0.9385","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505396","9.5518","0.0003","5.4857","0.0002","16.4179","0.0005","90","","97.103","0.002","90","","853.67","0.05","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C38 H40 O6 S2 -","2","1","","Li, Hao; Zu, Liansuo; Xie, Hexin; Wang, Jian; Jiang, Wei; Wang, Wei","Enantioselective organocatalytic double Michael addition reactions.","Organic letters","2007","9","9","1833","1835","10.1021/ol070581y","","","0.71073","MoKα","","0.0463","0.0379","","","0.0792","0.0837","","","","","","0.98","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505397","53.0849","0.0014","6.5227","0.0002","9.6315","0.0005","90","","95.929","0.0014","90","","3317.1","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H6 F28 S4 -","- C29 H6 F28 S4 -","- C116 H24 F112 S16 -","4","0.5","","Ie, Yutaka; Nitani, Masashi; Ishikawa, Motomi; Nakayama, Ken-ichi; Tada, Hirokazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes for n-type semiconductors: difluoromethylene-bridged bithiophene and its oligomers.","Organic letters","2007","9","11","2115","2118","10.1021/ol070584a","","","1.54187","CuKα","","0.109","0.0767","","","0.1931","0.2252","","","","","","1.218","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505398","9.118","0.003","19.012","0.003","11.942","0.005","90","","93.65","0.02","90","","2066","1.1","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O9 -","- C21 H30 O9 -","- C84 H120 O36 -","4","2","","Niu, Xue-Mei; Li, Sheng-Hong; Görls, Helmar; Schollmeyer, Dieter; Hilliger, Matthias; Grabley, Susanne; Sattler, Isabel","Abyssomicin E, a highly functionalized polycyclic metabolite from Streptomyces species.","Organic letters","2007","9","13","2437","2440","10.1021/ol0705999","","","1.54178","CuKα","","0.0732","0.0572","","","0.1581","0.2109","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505399","11.2502","0.0003","13.2372","0.0003","23.032","0.0007","98.059","0.002","94.078","0.002","106.16","0.002","3239.95","0.16","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H83 N5 Ni O4 -","- C76 H83 N5 Ni O4 -","- C152 H166 N10 Ni2 O8 -","2","1","","Alonso, Cristina M. A.; Serra, Vanda I. V.; Neves, Maria G. P. M. S.; Tomé, Augusto C; Silva, Artur M. S.; Paz, Filipe A. A.; Cavaleiro, José A S","An easy synthetic approach to pyridoporphyrins by domino reactions.","Organic letters","2007","9","12","2305","2308","10.1021/ol070601w","","","1.54178","MoKα","","0.1033","0.0671","","","0.1813","0.2096","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505400","12.67","0.006","4.943","0.002","17.744","0.008","90","","110.918","0.005","90","","1038","0.8","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Clark, J. Stephen; Conroy, Joanne; Blake, Alexander J.","Rapid synthesis of the A-E fragment of ciguatoxin CTX3C.","Organic letters","2007","9","11","2091","2094","10.1021/ol0706096","","","0.71073","MoKα","","0.0835","0.0519","","","0.121","0.135","","","","","","0.94","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505401","4.5818","0.0013","13.616","0.004","36.927","0.01","90","","90","","90","","2303.7","1.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C104 H128 O24 -","4","1","","Clark, J. Stephen; Conroy, Joanne; Blake, Alexander J.","Rapid synthesis of the A-E fragment of ciguatoxin CTX3C.","Organic letters","2007","9","11","2091","2094","10.1021/ol0706096","","","0.7848","synchrotron","","0.0601","0.0448","","","0.103","0.113","","","","","","1.11","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505402","18.7743","0.0003","29.9639","0.0006","31.9847","0.0008","90","","90","","90","","17993","0.6","123.1","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H52 B2 F8 I2 O8 -","- C42 H52 B2 F8 I2 O8 -","- C672 H832 B32 F128 I32 O128 -","16","1","","Miyamoto, Kazunori; Hirobe, Masaya; Saito, Motomichi; Shiro, Motoo; Ochiai, Masahito","One-pot regioselective synthesis of chromanyl(phenyl)-lambda(3)-iodanes: tandem oxidative cyclization and lambda(3)-iodanation of 3-phenylpropanols.","Organic letters","2007","9","10","1995","1998","10.1021/ol0706105","","","0.71069","MoKα","","","0.027","","","","0.058","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505403","14.8561","0.0018","22.866","0.003","21.756","0.003","90","","102.704","0.002","90","","7209.6","1.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18.67 F6 N2 O1.33 S -","- C24 H18 F6 N2 O1.33333 S -","- C288 H216 F72 N24 O16 S12 -","12","3","","Pu, Shouzhi; Liu, Gang; Shen, Liang; Xu, Jingkun","Efficient synthesis and properties of isomeric photochromic diarylethenes having a pyrrole unit.","Organic letters","2007","9","11","2139","2142","10.1021/ol070622q","","","0.71073","MoKα","","0.2253","0.0844","","","0.2141","0.3204","","","","","","0.999","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505404","23.12","0.003","8.9474","0.0011","11.4416","0.0013","90","","101.835","0.001","90","","2316.5","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F6 N2 O S -","- C24 H18 F6 N2 O S -","- C96 H72 F24 N8 O4 S4 -","4","1","","Pu, Shouzhi; Liu, Gang; Shen, Liang; Xu, Jingkun","Efficient synthesis and properties of isomeric photochromic diarylethenes having a pyrrole unit.","Organic letters","2007","9","11","2139","2142","10.1021/ol070622q","","","0.71073","MoKα","","0.0715","0.0537","","","0.1364","0.1524","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505405","8.7448","0.0002","13.9102","0.0003","14.4931","0.0003","90","","90","","90","","1762.97","0.07","220","2","220","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Cl3 N O4 S2 -","- C13 H16 Cl3 N O4 S2 -","- C52 H64 Cl12 N4 O16 S8 -","4","1","","Zajac, Marian; Peters, René","Catalytic asymmetric formation of beta-sultams.","Organic letters","2007","9","10","2007","2010","10.1021/ol070644c","","","0.7107","MoKα","","0.0335","0.0305","","","0.0803","0.0827","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505406","7.5166","0.0005","16.9331","0.001","21.0741","0.0011","90","","97.855","0.004","90","","2657.1","0.3","150","","150","","","","","","","","M. Scansetti","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O9 -","- C28 H31 N O9 -","- C112 H124 N4 O36 -","4","1","","Scansetti, Myriam; Hu, Xiangping; McDermott, Benjamin P.; Lam, Hon Wai","Synthesis of pyroglutamic acid derivatives via double michael reactions of alkynones.","Organic letters","2007","9","11","2159","2162","10.1021/ol070674f","","","0.71073","MoKα","","0.1085","0.0666","","0.1943","0.1604","0.1943","","","","","","1.0626","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505407","7.9893","0.0014","27.158","0.005","11.724","0.002","90","","93.637","0.003","90","","2538.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 O14 S2 -","- C20 H23 N3 O14 S2 -","- C80 H92 N12 O56 S8 -","4","2","","Knapp, Spencer; Abdo, Mohannad; Ajayi, Kehinde; Huhn, Richard A.; Emge, Thomas J.; Kim, Eun Ju; Hanover, John A.","Tautomeric modification of GlcNAc-thiazoline.","Organic letters","2007","9","12","2321","2324","10.1021/ol0706814","","","0.71073","MoKα","","0.0779","0.0631","","","0.1459","0.1564","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505408","9.857","0.003","12.751","0.005","31.634","0.009","90","","90","","90","","3976","2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C136 H192 N32 O48 -","8","2","","Snyder, Seth E.; Volkers, Phillip I.; Engebretson, David A.; Lee, Wonjae; Pirkle, William H.; Carey, James R.","Strong enantioselective self-recognition of a small chiral molecule.","Organic letters","2007","9","12","2341","2343","10.1021/ol070703m","","","0.71073","MoKα","","0.0988","0.0587","","","0.1526","0.1976","","","","","","1.106","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505409","20.525","0.004","12.332","0.003","32.577","0.008","90","","108.199","0.004","90","","7833","3","193","2","193","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C272 H384 N64 O96 -","16","2","","Snyder, Seth E.; Volkers, Phillip I.; Engebretson, David A.; Lee, Wonjae; Pirkle, William H.; Carey, James R.","Strong enantioselective self-recognition of a small chiral molecule.","Organic letters","2007","9","12","2341","2343","10.1021/ol070703m","","","0.71073","MoKα","","0.1927","0.0427","","","0.0701","0.0943","","","","","","0.792","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505410","13.532","0.0005","5.4471","0.0002","15.2633","0.0006","90","","113.234","0.001","90","","1033.82","0.07","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 Br2 F3 N O -","- C23 H16 Br2 F3 N O -","- C46 H32 Br4 F6 N2 O2 -","2","1","","Denton, Justin R.; Sukumaran, Dinesh; Davies, Huw M. L.","Enantioselective synthesis of trifluoromethyl-substituted cyclopropanes.","Organic letters","2007","9","14","2625","2628","10.1021/ol070714f","","","0.71073","MoKα","","0.0484","0.0382","","","0.0897","0.0947","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505411","9.46","0.0018","6.0405","0.0012","13.586","0.003","90","","108.872","0.003","90","","734.6","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","05070","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Oppenheimer, Jossian; Johnson, Whitney L.; Tracey, Michael R.; Hsung, Richard P.; Yao, Pei-Yuan; Liu, Renhe; Zhao, Kang","A rhodium(I)-catalyzed demethylation-cyclization of o-anisole-substituted ynamides in the synthesis of chiral 2-amido benzofurans.","Organic letters","2007","9","12","2361","2364","10.1021/ol0707362","","","0.71073","MoKα","","0.0355","0.0328","","","0.0889","0.0909","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505412","11.0209","0.0002","12.2273","0.0002","31.3304","0.0004","90","","90","","90","","4221.95","0.12","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H66 O11 S Si2 -","- C36 H66 O11 S Si2 -","- C144 H264 O44 S4 Si8 -","4","1","","Kim, Youngsoon; Fuchs, Philip L.","Lactol-directed osmylation. Stereodivergent synthesis of four C-19,20 apoptolidin diols from a single allylic hemiacetal.","Organic letters","2007","9","13","2445","2448","10.1021/ol0707564","","","0.71073","MO-Kα","","0.056","0.044","","","0.09","0.095","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505413","7.292","0.0004","17.7683","0.0017","17.7243","0.0011","90","","98.805","0.004","90","","2269.4","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H66 O12 S Si2 -","- C38 H66 O12 S Si2 -","- C76 H132 O24 S2 Si4 -","2","1","","Kim, Youngsoon; Fuchs, Philip L.","Lactol-directed osmylation. Stereodivergent synthesis of four C-19,20 apoptolidin diols from a single allylic hemiacetal.","Organic letters","2007","9","13","2445","2448","10.1021/ol0707564","","","0.71073","MO-Kα","","0.091","0.088","","","0.181","0.182","","","","","","1.213","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505414","6.725","","13.858","","16.061","","90","","90","","90","","1496.81","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 I N O4 -","- C14 H16 I N O4 -","- C56 H64 I4 N4 O16 -","4","1","","Pattarozzi, Mariella; Zonta, Cristiano; Broxterman, Quirinus B.; Kaptein, Bernard; De Zorzi, Rita; Randaccio, Lucio; Scrimin, Paolo; Licini, Giulia","Stereoselective iodocyclization of (S)-allylalanine derivatives: gamma-lactone vs cyclic carbamate formation.","Organic letters","2007","9","12","2365","2368","10.1021/ol070764k","","","0.71073","MoKα","","0.0627","0.0536","","","0.1444","0.1534","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505415","11.3244","0.0009","16.2185","0.0013","23.641","0.0017","90","","90.462","0.005","90","","4341.9","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 N O3 S -","- C19.688 H21.4 N0.856 O2.568 S0.856 -","- C157.504 H171.2 N6.848 O20.544 S6.848 -","8","1","","Tanaka, Ken; Otake, Yousuke; Wada, Azusa; Noguchi, Keiichi; Hirano, Masao","Cationic Rh(I)/modified-BINAP-catalyzed reactions of carbonyl compounds with 1,6-diynes leading to dienones and ortho-functionalized aryl ketones.","Organic letters","2007","9","11","2203","2206","10.1021/ol0707721","","","1.54187","CuKα","","0.0898","0.0685","","","0.2237","0.2381","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505416","6.0607","0.0008","15.52","0.002","20.018","0.003","90","","90","","90","","1882.9","0.4","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cmc0546b","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Song, Zhenlei; Hsung, Richard P.","A formal total synthesis of (+)-zincophorin. Observation of an unusual urea-directed Stork-Crabtree hydrogenation.","Organic letters","2007","9","11","2199","2202","10.1021/ol070791a","","","0.49594","synchrotron","","0.0463","0.044","","","0.1211","0.1228","","","","","","1.128","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505417","9.8192","0.0006","9.8192","0.0006","24.526","0.003","90","","90","","120","","2047.9","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","07009a","","","- C13 H22 O3 -","- C13 H22 O3 -","- C78 H132 O18 -","6","1","","Song, Zhenlei; Hsung, Richard P.","A formal total synthesis of (+)-zincophorin. Observation of an unusual urea-directed Stork-Crabtree hydrogenation.","Organic letters","2007","9","11","2199","2202","10.1021/ol070791a","","","0.71073","MoKα","","0.0343","0.0312","","","0.0817","0.0836","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505418","23.045","0.0008","6.8145","0.0005","23.8953","0.0008","90","","97.8218","0.0013","90","","3717.6","0.3","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C90 H122 O2 -","- C90 H122 O2 -","- C180 H244 O4 -","2","0.5","","Dou, Xi; Yang, Xiaoyin; Bodwell, Graham J.; Wagner, Manfred; Enkelmann, Volker; Müllen, Klaus","Unexpected phenyl group rearrangement during an intramolecular Scholl reaction leading to an alkoxy-substituted hexa-peri-hexabenzocoronene.","Organic letters","2007","9","13","2485","2488","10.1021/ol0708018","","","0.71073","MoKα","","0.0486","0.0504","","0.047","0.047","0.047","","","","","","0.9049","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505419","16.489","0.0017","14.7552","0.0014","14.3559","0.0013","90","","101.286","0.003","90","","3425.2","0.6","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 N2 O3.5 -","- C12 H22 N2 O3.5 -","- C96 H176 N16 O28 -","8","1","","Hoang, Cam Thuy; Alezra, Valérie; Guillot, Régis; Kouklovsky, Cyrille","A stereoselective entry into functionalized 1,2-diamines by zinc-mediated homologation of alpha-aminoacids.","Organic letters","2007","9","13","2521","2524","10.1021/ol0708020","","x-ray","0.71073","MoKα","","0.108","0.0695","","","0.1232","0.1783","","","","","","1.107","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505420","9.848","0.0007","9.704","0.0007","30.58","0.002","90","","90","","90","","2922.4","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 F2 O7 -","- C31 H34 F2 O7 -","- C124 H136 F8 O28 -","4","1","","Moreno, Benjamin; Quehen, Cindy; Rose-Hélène, Maureen; Leclerc, Eric; Quirion, Jean-Charles","Addition of difluoromethyl radicals to glycals: a new route to alpha-CF2-D-glycosides.","Organic letters","2007","9","13","2477","2480","10.1021/ol070835f","","x-ray","0.71073","MoKα","","0.0604","0.042","","","0.073","0.0769","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505421","12.231","0.003","14.444","0.004","23.916","0.006","82.718","0.006","87.233","0.006","69.734","0.005","3931.5","1.8","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H93 N3 O18 -","- C84 H90 N3 O18 -","- C168 H180 N6 O36 -","2","1","","Kogan, Katerina; Biali, Silvio E.","Intramolecular SNAr reactions in a large-ring ketocalix[6]arene.","Organic letters","2007","9","12","2393","2396","10.1021/ol070870m","","","0.71073","MoKα","","0.1817","0.0594","","","0.1194","0.1394","","","","","","0.73","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505422","11.1681","0.0013","12.5022","0.0015","13.1463","0.0015","104.302","0.002","100.131","0.002","112.057","0.002","1573","0.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C72 H84 O12 -","- C72 H84 O12 -","- C72 H84 O12 -","1","0.5","","Kogan, Katerina; Biali, Silvio E.","Intramolecular SNAr reactions in a large-ring ketocalix[6]arene.","Organic letters","2007","9","12","2393","2396","10.1021/ol070870m","","","0.71073","MoKα","","0.0815","0.0752","","","0.17","0.1741","","","","","","1.175","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505423","14.665","0.004","18.699","0.005","25.185","0.007","96.674","0.005","94.722","0.005","97.918","0.005","6760","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H82.5 N1.5 O11 -","- C73 H78 N1.5 O11 -","- C292 H312 N6 O44 -","4","2","","Kogan, Katerina; Biali, Silvio E.","Intramolecular SNAr reactions in a large-ring ketocalix[6]arene.","Organic letters","2007","9","12","2393","2396","10.1021/ol070870m","","","0.71073","MoKα","","0.1159","0.0784","","","0.2428","0.2643","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505424","11.7096","0.0019","20.183","0.003","31.905","0.005","98.296","0.003","94.448","0.003","96.059","0.003","7387","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H94 Cl3 N6 O Zn -","- C77 H94 Cl3 N6 O Zn -","- C308 H376 Cl12 N24 O4 Zn4 -","4","2","","Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of meso-5-azaindolyl-appended Zn(II) porphyrins via Pd-catalyzed annulation.","Organic letters","2007","9","13","2493","2496","10.1021/ol070885k","","","0.71073","MoKα","","0.1702","0.0932","","","0.2266","0.2783","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505425","6.1304","0.0006","10.4292","0.001","11.9236","0.0011","90","","90","","90","","762.34","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 Cl N O3 -","- C5 H8 Cl N O3 -","- C20 H32 Cl4 N4 O12 -","4","1","","Thomas, P. J.; Axtell, Alex T.; Klosin, Jerzy; Peng, Wei; Rand, Cynthia L.; Clark, Thomas P.; Landis, Clark R.; Abboud, Khalil A.","Asymmetric hydroformylation of vinyl acetate: application in the synthesis of optically active isoxazolines and imidazoles.","Organic letters","2007","9","14","2665","2668","10.1021/ol070900l","","","0.71073","MoKα","","0.0325","0.0319","","","0.0787","0.0793","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505426","5.4291","0.001","30.429","0.006","10.873","0.002","90","","99.416","0.003","90","","1772","0.6","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","","Tian, Guo-Qiang; Shi, Min","Brønsted acid-mediated stereoselective cascade construction of functionalized tetrahydropyrans from 2-(arylmethylene)cyclopropylcarbinols and aldehydes.","Organic letters","2007","9","12","2405","2408","10.1021/ol0709026","","","0.71073","MoKα","","0.1014","0.0486","","","0.1014","0.1134","","","","","","0.802","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505427","5.7054","0.0017","10.466","0.003","17.168","0.005","80.479","0.005","83.302","0.005","79.666","0.006","990.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br O5 S -","- C19 H21 Br O5 S -","- C38 H42 Br2 O10 S2 -","2","1","","Tian, Guo-Qiang; Shi, Min","Brønsted acid-mediated stereoselective cascade construction of functionalized tetrahydropyrans from 2-(arylmethylene)cyclopropylcarbinols and aldehydes.","Organic letters","2007","9","12","2405","2408","10.1021/ol0709026","","","0.71073","MoKα","","0.1395","0.073","","","0.1809","0.2188","","","","","","0.878","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505428","9.738","0.016","10.632","0.018","19.29","0.03","90","","103.06","0.03","90","","1946","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O4 S -","- C21 H24 O4 S -","- C84 H96 O16 S4 -","4","1","","Tian, Guo-Qiang; Shi, Min","Brønsted acid-mediated stereoselective cascade construction of functionalized tetrahydropyrans from 2-(arylmethylene)cyclopropylcarbinols and aldehydes.","Organic letters","2007","9","12","2405","2408","10.1021/ol0709026","","","0.71073","MoKα","","0.089","0.0674","","","0.1526","0.1685","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505429","11.714","0.002","12.064","0.002","12.691","0.003","117.1","0.03","112.07","0.03","95.88","0.03","1395.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H48 O3 Si -","- C27 H48 O3 Si -","- C54 H96 O6 Si2 -","2","1","","Huang, Jie; Wang, Huan; Wu, Chunrui; Wulff, William D.","Intramolecular cyclohexadienone annulations of Fischer carbene complexes: model studies for the synthesis of Phomactins.","Organic letters","2007","9","15","2799","2802","10.1021/ol070904q","","","0.71073","MoKα","","0.061","0.0436","","","0.1271","0.1364","","","","","","0.921","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505430","12.336","0.003","11.201","0.002","18.593","0.004","90","","99.52","0.03","90","","2533.7","1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Huang, Jie; Wang, Huan; Wu, Chunrui; Wulff, William D.","Intramolecular cyclohexadienone annulations of Fischer carbene complexes: model studies for the synthesis of Phomactins.","Organic letters","2007","9","15","2799","2802","10.1021/ol070904q","","","0.71073","MoKα","","0.126","0.0557","","","0.1297","0.164","","","","","","0.894","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505431","10.2279","0.0013","10.6309","0.0013","15.392","0.0019","80.421","0.002","71.857","0.002","89.308","0.002","1566.8","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","2","","Malik, Chanchal K.; Ghosh, Subrata","Domino metathesis involving ROM-RCM of substituted norbornenes. Rapid access to densely functionalized tricyclic bridged and condensed ring systems","Organic Letters","2007","9","13","2537","2540","10.1021/ol070906a","","","0.71073","MoKα","","0.1124","0.059","","","0.1502","0.1872","","","","","","0.95","","","","has coordinates","218624","2020-10-21","18:00:00",""
"1505432","26.729","0.003","6.1676","0.0008","11.6348","0.0014","90","","114.247","0.004","90","","1748.8","0.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","x-ray","0.71073","MoKα","","0.0583","0.0428","","","0.0998","0.1075","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505433","6.195","0.0011","17.387","0.003","19.004","0.003","90","","90","","90","","2047","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O6 -","- C25 H24 O6 -","- C100 H96 O24 -","4","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","x-ray","0.71073","MoKα","","0.1234","0.0508","","","0.0842","0.0986","","","","","","0.841","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505434","6.3","0.001","13.636","0.002","21.235","0.004","90","","90","","90","","1824.2","0.5","223.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","","1.5419","CuKα","","","0.0667","","","","0.1814","","","","","","1.877","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505435","13.937","0.006","5.674","0.002","14.021","0.006","90","","90.777","0.009","90","","1108.7","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 Br O7 -","- C25 H21 Br O7 -","- C50 H42 Br2 O14 -","2","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","","0.71073","MoKα","","0.1348","0.0613","","","0.1344","0.154","","","","","","0.839","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505436","7.356","0.003","6.447","0.003","26.303","0.01","90","","91.214","0.007","90","","1247.1","0.9","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","De, Prithwiraj; Nonappa,; Pandurangan, Komala; Maitra, Uday; Wailes, Steve","CuI-mediated cross-coupling of aryl halides with oximes: a direct access to O-aryloximes.","Organic letters","2007","9","15","2767","2770","10.1021/ol0709578","","","0.71073","MoKα","","0.1019","0.06","","","0.1454","0.1669","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505437","5.1268","0.0003","27.0317","0.0012","7.1313","0.0003","90","","109.3","0.006","90","","932.76","0.09","","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R)-6-((S)-2,4-Dihydroxy-butyl)-piperidin-2-one","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","","Maio, William A.; Sinishtaj, Sandra; Posner, Gary H.","Cyclopentanone ring expansion leading to functionalized delta-lactams: short synthesis of simple sedum alkaloids.","Organic letters","2007","9","14","2673","2676","10.1021/ol070960r","","","0.71073","MoKα","","0.0819","0.0565","","","0.0954","0.1055","","","","","","1.108","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505438","6.16","0.0014","8.885","0.003","9.942","0.003","65.3","0.03","88.44","0.02","77.37","0.03","481.1","0.3","","","110","","","","","","","","","4","P -1","-P 1","2","","(R)-6-((R)-2,4-Dihydroxy-butyl)-piperidin-2-one","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C18 H34 N2 O6 -","2","1","","Maio, William A.; Sinishtaj, Sandra; Posner, Gary H.","Cyclopentanone ring expansion leading to functionalized delta-lactams: short synthesis of simple sedum alkaloids.","Organic letters","2007","9","14","2673","2676","10.1021/ol070960r","","","0.71073","MoKα","","0.0749","0.0393","","","0.0812","0.0899","","","","","","0.896","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505439","23.861","0.004","13.199","0.002","26.839","0.005","90","","115.663","0.002","90","","7619","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H82 F12 N8 O14 P2 -","- C80 H82 F12 N8 O14 P2 -","- C320 H328 F48 N32 O56 P8 -","4","0.5","","Liu, Yi; Klivansky, Liana M.; Khan, Saeed I.; Zhang, Xiyun","Templated synthesis of desymmetrized [2]catenanes with excellent translational selectivity.","Organic letters","2007","9","13","2577","2580","10.1021/ol070970s","","","0.71073","MoKα","","0.1151","0.0721","","","0.1794","0.2031","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505440","13.711","0.001","38.401","0.003","26.934","0.002","90","","90.402","0.001","90","","14180.8","1.8","179.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68.5 H76.5 F12 N4 O16.25 P2 -","- C69.54 H69 F12 N4 O16.07 P2 -","- C556.32 H552 F96 N32 O128.56 P16 -","8","2","","Liu, Yi; Klivansky, Liana M.; Khan, Saeed I.; Zhang, Xiyun","Templated synthesis of desymmetrized [2]catenanes with excellent translational selectivity.","Organic letters","2007","9","13","2577","2580","10.1021/ol070970s","","","0.7107","MoKα","","0.1592","0.0871","","0.1041","","0.0938","","","","","","2.902","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505441","9.3832","0.0019","13.585","0.003","15.427","0.003","109.12","0.03","94.12","0.03","106.63","0.03","1750.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cl2 N6 O10 -","- C36 H24 Cl2 N6 O10 -","- C72 H48 Cl4 N12 O20 -","2","1","","Wang, Qi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang","Formation and conformational conversion of flattened partial cone oxygen bridged calix[2]arene[2]triazines.","Organic letters","2007","9","15","2847","2850","10.1021/ol0710008","","","0.71073","MoKα","","0.0894","0.0548","","","0.1422","0.1659","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505442","9.3404","0.0019","27.574","0.006","17.783","0.004","90","","102.76","0.03","90","","4466.9","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 N6 O10 -","- C50 H38 N6 O10 -","- C200 H152 N24 O40 -","4","0.5","","Wang, Qi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang","Formation and conformational conversion of flattened partial cone oxygen bridged calix[2]arene[2]triazines.","Organic letters","2007","9","15","2847","2850","10.1021/ol0710008","","","0.71073","MoKα","","0.1272","0.0613","","","0.1462","0.1741","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505443","13.358","0.003","13.955","0.003","15.064","0.003","62.93","0.03","81.83","0.03","69.41","0.03","2340.2","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H44 N6 O11 -","- C53 H44 N6 O11 -","- C106 H88 N12 O22 -","2","1","","Wang, Qi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang","Formation and conformational conversion of flattened partial cone oxygen bridged calix[2]arene[2]triazines.","Organic letters","2007","9","15","2847","2850","10.1021/ol0710008","","","0.71073","MoKα","","0.3012","0.146","","","0.3475","0.4385","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505444","14.451","0.003","17.782","0.004","19.083","0.004","89.89","0.03","107.15","0.03","90.21","0.03","4685.6","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 N6 O6 -","- C48 H54 N6 O6 -","- C192 H216 N24 O24 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang","Formation and conformational conversion of flattened partial cone oxygen bridged calix[2]arene[2]triazines.","Organic letters","2007","9","15","2847","2850","10.1021/ol0710008","","","0.71073","MoKα","","0.2244","0.1513","","","0.4055","0.4439","","","","","","1.236","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505445","14.89","0.003","17.963","0.004","18.365","0.004","90","","91.79","0.03","90","","4909.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H54 Cl2 N6 O6 -","- C49 H54 Cl2 N6 O6 -","- C196 H216 Cl8 N24 O24 -","4","0.5","","Wang, Qi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang","Formation and conformational conversion of flattened partial cone oxygen bridged calix[2]arene[2]triazines.","Organic letters","2007","9","15","2847","2850","10.1021/ol0710008","","","0.71073","MoKα","","0.1722","0.1285","","","0.3186","0.3472","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505446","6.081","0.002","15.034","0.005","12.304","0.004","90","","102.928","0.006","90","","1096.3","0.6","187","2","187","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CBTA","1,2,3,4-cyclobutane tetracarboxylic acid","","- C8 H12 O10 -","- C8 H12 O10 -","- C32 H48 O40 -","4","1","","Mei, Xuefeng; Liu, Shuanglong; Wolf, Christian","Template-controlled face-to-face stacking of olefinic and aromatic carboxylic acids in the solid state.","Organic letters","2007","9","14","2729","2732","10.1021/ol071039c","","","0.71073","MoKα","","0.0664","0.0432","","","0.1135","0.1228","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505447","15.782","0.002","20.108","0.003","18.301","0.002","90","","112.96","0.002","90","","5347.6","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-naphthalenecarboxylic acid and 1,8-dipyridylnaphthalene","1,4-naphthalenecarboxylic acid and 1,8-dipyridylnaphthalene","","- C32 H12 N2 O4 -","- C32 H22 N2 O4 -","- C256 H176 N16 O32 -","8","2","","Mei, Xuefeng; Liu, Shuanglong; Wolf, Christian","Template-controlled face-to-face stacking of olefinic and aromatic carboxylic acids in the solid state.","Organic letters","2007","9","14","2729","2732","10.1021/ol071039c","","","0.71073","MoKα","","0.2617","0.1382","","","0.4037","0.4488","","","","","","1.367","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505448","21.959","0.004","7.0127","0.0012","30.552","0.005","90","","110.878","0.002","90","","4395.9","1.3","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","template and terephthalic acid","1,8-dipyridylnaphthalene and terephthalic acid","","- C28 H18 N2 O4 -","- C26.6 H18.6 N1.65 O4 -","- C212.8 H148.8 N13.2 O32 -","8","1","","Mei, Xuefeng; Liu, Shuanglong; Wolf, Christian","Template-controlled face-to-face stacking of olefinic and aromatic carboxylic acids in the solid state.","Organic letters","2007","9","14","2729","2732","10.1021/ol071039c","","","0.71073","MoKα","","0.2263","0.1263","","","0.3708","0.4079","","","","","","1.295","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505449","11.5485","0.0018","13.991","0.002","13","0.002","90","","110.375","0.003","90","","1969.1","0.5","187","2","187","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fumaric acid and template","1,8-dipyridyl naphthalene and fumaric acid","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","1","","Mei, Xuefeng; Liu, Shuanglong; Wolf, Christian","Template-controlled face-to-face stacking of olefinic and aromatic carboxylic acids in the solid state.","Organic letters","2007","9","14","2729","2732","10.1021/ol071039c","","","0.71073","MoKα","","0.1634","0.0512","","","0.1083","0.1311","","","","","","0.895","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505450","31.358","0.003","7.4247","0.0008","21.751","0.002","90","","107.672","0.002","90","","4825.2","0.8","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-naphthalenedicarboxylic acid and 1,8-dipyridylnaphthalene","2,6-naphthalenedicarboxylic acid and 1,8-dipyridylnaphthalene","","- C64 H44 N4 O8 -","- C64 H44 N4 O8 -","- C256 H176 N16 O32 -","4","0.5","","Mei, Xuefeng; Liu, Shuanglong; Wolf, Christian","Template-controlled face-to-face stacking of olefinic and aromatic carboxylic acids in the solid state.","Organic letters","2007","9","14","2729","2732","10.1021/ol071039c","","","0.71073","MoKα","","0.1214","0.053","","","0.131","0.1446","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505451","17.4562","0.0007","15.5902","0.0004","17.8949","0.0007","90","","90","","90","","4870","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","2","","Murphy, John A.; Mahesh, Mohan; McPheators, Gary; Anand, R. Vijaya; McGuire, Thomas M.; Carling, Robert; Kennedy, Alan R.","Fragmentation of nitrone triflates to 9-membered rings.","Organic letters","2007","9","17","3233","3236","10.1021/ol071049d","","","0.71073","MoKα","","0.1275","0.0592","","","0.1171","0.1427","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505452","11.0647","0.0008","11.1233","0.0008","12.2123","0.0009","70.0811","0.0013","86.9756","0.0014","75.9468","0.0013","1370.09","0.17","100","2","100","2","","","","","","","Lash laboratory","3","P -1","-P 1","2","","6,21-diphenyl-13,14-diethyl-2-azabenziporphyrin","","- C37 H30 N4 -","- C37 H30 N4 -","- C74 H60 N8 -","2","1","","Lash, Timothy D.; Pokharel, Komal; Serling, Jill M.; Yant, Valerie R.; Ferrence, Gregory M.","Aromatic and nonaromatic pyriporphyrins.","Organic letters","2007","9","15","2863","2866","10.1021/ol071052x","","x-ray","0.71073","MoKα","","0.0779","0.054","","","0.1163","0.1281","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505453","9.6636","0.0003","7.7296","0.0002","15.8534","0.0004","90","","102.349","0.001","90","","1156.78","0.06","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-1-methyl-6-methylene-octahydro-naphthalene-4a-carbonitrile","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Fleming, Fraser F.; Wei, Yunjing; Liu, Wang; Zhang, Zhiyu","Metalated nitriles: cation-controlled cyclizations.","Organic letters","2007","9","14","2733","2736","10.1021/ol071084k","","","0.71073","MoKα","","0.079","0.0645","","","0.1709","0.1875","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505454","8.0156","0.0005","10.2134","0.0006","23.4505","0.0013","90","","95.475","0.003","90","","1911.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","1","","Yuan, Weicheng; Du, Haifeng; Zhao, Baoguo; Shi, Yian","A mild Cu(I)-catalyzed regioselective diamination of conjugated dienes.","Organic letters","2007","9","13","2589","2591","10.1021/ol071105a","","","0.71073","MoKα","","0.1188","0.0568","","","0.1112","0.1333","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505455","6.6652","0.0003","10.356","0.0005","12.7813","0.0006","109.931","0.002","91.021","0.003","104.591","0.003","797.41","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 N2 O3 -","- C15 H26 N2 O3 -","- C30 H52 N4 O6 -","2","1","","Yuan, Weicheng; Du, Haifeng; Zhao, Baoguo; Shi, Yian","A mild Cu(I)-catalyzed regioselective diamination of conjugated dienes.","Organic letters","2007","9","13","2589","2591","10.1021/ol071105a","","","0.71073","MoKα","","0.0988","0.0822","","","0.241","0.2495","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505456","15.224","0.003","14.665","0.003","9.2482","0.0017","90","","104.47","0.003","90","","1999.3","0.7","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C96 H116 N4 O8 -","4","1","","Bertrand, Myra Beaudoin; Wolfe, John P.","Palladium-catalyzed synthesis of cyclopentane-fused benzocyclobutenes via tandem directed carbopalladation/C-H bond functionalization.","Organic letters","2007","9","16","3073","3075","10.1021/ol071120f","","","0.71073","MoKα","","0.0655","0.0411","","","0.0883","0.0983","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505457","8.1759","0.0001","11.752","0.0002","14.6138","0.0003","101.743","0.001","90.778","0.001","101.284","0.001","1346.09","0.04","296","2","295","2","","","","","","","","4","P -1","-P 1","2","TIPSAntHT","2,6-bis(5'-hexyl-thiophene-2'-yl)-9,10-bis(triisopropylsilylethynyl)anthracene","","- C56 H78 S2 Si2 -","- C56 H78 S2 Si2 -","- C56 H78 S2 Si2 -","1","0.5","","Park, Jong-Hwa; Chung, Dae Sung; Park, Jong-Won; Ahn, Taek; Kong, Hoyoul; Jung, Young Kwan; Lee, Jonghee; Yi, Mi Hye; Park, Chan Eon; Kwon, Soon-Ki; Shim, Hong-Ku","Soluble and easily crystallized anthracene derivatives: precursors of solution-processable semiconducting molecules.","Organic letters","2007","9","13","2573","2576","10.1021/ol071135d","","","0.71073","MoKα","","0.1653","0.0935","","","0.2938","0.3542","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505458","8.4979","0.0001","11.3921","0.0002","12.3339","0.0002","76.88","0.001","81.092","0.001","82.806","0.001","1143.79","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H62 Si2 -","- C52 H62 Si2 -","- C52 H62 Si2 -","1","0.5","","Park, Jong-Hwa; Chung, Dae Sung; Park, Jong-Won; Ahn, Taek; Kong, Hoyoul; Jung, Young Kwan; Lee, Jonghee; Yi, Mi Hye; Park, Chan Eon; Kwon, Soon-Ki; Shim, Hong-Ku","Soluble and easily crystallized anthracene derivatives: precursors of solution-processable semiconducting molecules.","Organic letters","2007","9","13","2573","2576","10.1021/ol071135d","","","0.71073","MoKα","","0.0768","0.0479","","","0.1242","0.1403","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505459","5.8833","0.0003","21.1342","0.001","30.2541","0.0014","79.193","0.001","89.668","0.001","85.256","0.001","3682.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 N7 O8 S -","- C41 H39 N7 O8 S -","- C164 H156 N28 O32 S4 -","4","2","","Sivappa, Rasapalli; Hernandez, Nora M.; He, Yong; Lovely, Carl J.","Studies toward the total synthesis of axinellamine and massadine.","Organic letters","2007","9","20","3861","3864","10.1021/ol0711568","","","0.71073","MoKα","","0.0725","0.0471","","","0.0957","0.1037","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505460","10.5085","0.0008","13.2808","0.001","11.0909","0.0009","90","","101.738","0.001","90","","1515.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","07078a","","","- C18 H14 O6 -","- C18 H14 O6 -","- C72 H56 O24 -","4","1","","Sessions, E. Hampton; O'Connor, Jr, Roger T; Jacobi, Peter A.","Furanosteroid studies. Stereoselective synthesis of the A,B,E-ring core of wortmannin.","Organic letters","2007","9","17","3221","3224","10.1021/ol071158s","","","0.71073","MoKα","","0.0475","0.038","","","0.105","0.1099","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505461","6.2943","0.0009","8.9846","0.0013","10.6357","0.0015","97.208","0.003","96.303","0.003","98.602","0.003","584.91","0.15","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C32 H34 -","- C32 H34 -","- C32 H34 -","1","0.5","","Caraballo-Martínez, Noelia; Heras, María Del Rosario Colorado; Blazquez, Myriam Mba; Barcina, José Osío; Martínez, Antonio García; Salvador, María Del Rosario Torres","Synthesis of homoconjugated oligomers derived from 7,7-diphenylnorbornane.","Organic letters","2007","9","15","2943","2946","10.1021/ol071161b","","","0.71073","MoKα","","0.0911","0.0439","","","0.093","0.1143","","","","","","0.907","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505462","9.083","0.0018","9.104","0.0018","15.642","0.003","90","","102.6","0.03","90","","1262.3","0.5","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H26 Fe N O P S -","- C29 H26 Fe N O P S -","- C58 H52 Fe2 N2 O2 P2 S2 -","2","1","","Cheemala, Murthy N.; Knochel, Paul","New P,N-ferrocenyl ligands for the asymmetric Ir-catalyzed hydrogenation of imines.","Organic letters","2007","9","16","3089","3092","10.1021/ol071168t","","","0.71073","MoKα","","0.0388","0.0363","","","0.0975","0.0998","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505463","8.0414","0.001","11.4829","0.0014","8.497","0.0011","90","","93.684","0.002","90","","782.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Song, Juan; Shen, Qi; Xu, Fan; Lu, Xiyan","Cationic Pd(II)-catalyzed enantioselective cyclization of aroylmethyl 2-alkynoates initiated by carbopalladation of alkynes with arylboronic acids.","Organic letters","2007","9","15","2947","2950","10.1021/ol0711772","","","0.71073","MoKα","","0.0497","0.0433","","","0.0998","0.1025","","","","","","0.979","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505464","8.2199","0.0006","24.5947","0.0017","8.0807","0.0006","90","","111.629","0.001","90","","1518.62","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Henry, Christopher E.; Kwon, Ohyun","Phosphine-catalyzed synthesis of highly functionalized coumarins.","Organic letters","2007","9","16","3069","3072","10.1021/ol071181d","","","0.71073","MoKα","","0.0482","0.0387","","","0.0963","0.1013","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505465","10.4432","0.0014","10.3372","0.0014","13.1172","0.0017","90","","97.524","0.002","90","","1403.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C60 H56 Br4 N4 O16 -","4","1","","Henry, Christopher E.; Kwon, Ohyun","Phosphine-catalyzed synthesis of highly functionalized coumarins.","Organic letters","2007","9","16","3069","3072","10.1021/ol071181d","","","0.71073","MoKα","","0.0515","0.0301","","","0.0697","0.0778","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505466","9.907","0.003","16.144","0.006","17.827","0.006","90","","90","","90","","2851.2","1.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C120 H112 Br8 N8 O32 -","8","1","","Henry, Christopher E.; Kwon, Ohyun","Phosphine-catalyzed synthesis of highly functionalized coumarins.","Organic letters","2007","9","16","3069","3072","10.1021/ol071181d","","","0.71073","MoKα","","0.0783","0.034","","","0.0658","0.0784","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505467","7.113","0.007","8.547","0.009","14.99","0.01","78.64","0.08","76.36","0.08","65.54","0.08","801","1.4","200.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 N4 -","- C21 H16 N4 -","- C42 H32 N8 -","2","1","","Matsumoto, Kouzou; Kannami, Masaki; Inokuchi, Daisuke; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji","Tetrakis(4-pyridyl)methane: synthesis, properties, and a diamondoid network structure of its silver(I) complex.","Organic letters","2007","9","15","2903","2906","10.1021/ol071189n","","","0.7107","MoKα","","","0.044","","","","0.1222","","","","","","0.903","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505468","13.871","0.006","13.979","0.005","17.52","0.006","90","","90","","90","","3397","2","200.2","","","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C21 H16 Ag B F4 N4 -","- C21 H16 Ag B F2 N4 -","- C84 H64 Ag4 B4 F8 N16 -","4","1","","Matsumoto, Kouzou; Kannami, Masaki; Inokuchi, Daisuke; Kurata, Hiroyuki; Kawase, Takeshi; Oda, Masaji","Tetrakis(4-pyridyl)methane: synthesis, properties, and a diamondoid network structure of its silver(I) complex.","Organic letters","2007","9","15","2903","2906","10.1021/ol071189n","","","0.7107","MoKα","","","0.1319","","","","0.4005","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505469","13.344","0.004","17.307","0.005","7.109","0.002","90","","100.812","0.004","90","","1612.6","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Br Cl3 N O3 -","- C16 H9 Br Cl3 N O3 -","- C64 H36 Br4 Cl12 N4 O12 -","4","1","","Markey, Michael D.; Fu, Ying; Kelly, T. Ross","Synthesis of santiagonamine.","Organic letters","2007","9","17","3255","3257","10.1021/ol0711974","","","0.71073","MoKα","","0.0851","0.0461","","","0.1072","0.1229","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505470","10.055","0.002","10.084","0.002","20.606","0.002","90","","90","","90","","2089.3","0.6","294","2","294","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O4 S -","- C23 H26 N2 O4 S -","- C92 H104 N8 O16 S4 -","4","1","","Amat, Mercedes; Santos, Maria M. M.; Gómez, Antonia M; Jokic, Danica; Molins, Elies; Bosch, Joan","Enantioselective spirocyclizations from tryptophanol-derived oxazolopiperidone lactams.","Organic letters","2007","9","15","2907","2910","10.1021/ol0712327","","x-ray","0.71073","MoKα","","0.0584","0.0377","","","0.0898","0.0991","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505471","19.635","0.0016","4.6545","0.0004","14.8606","0.0012","90","","90","","90","","1358.13","0.19","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H10 N2 O3 -","- C18 H10 N2 O3 -","- C72 H40 N8 O12 -","4","1","","Liu, Wei; Buck, Matthew; Chen, Nan; Shang, Muhong; Taylor, Nicholas J.; Asoud, Jalil; Wu, Xing; Hasinoff, Brian B.; Dmitrienko, Gary I.","Total synthesis of isoprekinamycin: structural evidence for enhanced diazonium ion character and growth inhibitory activity toward cancer cells.","Organic letters","2007","9","15","2915","2918","10.1021/ol0712374","","","0.71073","MoKα","","0.0414","0.0344","","","0.0656","0.0673","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505472","4.8053","0.0005","14.6913","0.0016","18.927","0.002","90","","91.02","0.003","90","","1336","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N2 O4 -","- C18 H10 N2 O4 -","- C72 H40 N8 O16 -","4","1","","Liu, Wei; Buck, Matthew; Chen, Nan; Shang, Muhong; Taylor, Nicholas J.; Asoud, Jalil; Wu, Xing; Hasinoff, Brian B.; Dmitrienko, Gary I.","Total synthesis of isoprekinamycin: structural evidence for enhanced diazonium ion character and growth inhibitory activity toward cancer cells.","Organic letters","2007","9","15","2915","2918","10.1021/ol0712374","","","0.71073","MoKα","","0.0847","0.0598","","","0.0993","0.1051","","","","","","1.186","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505473","13.2576","0.0014","26.161","0.003","13.3645","0.0014","90","","96.638","0.003","90","","4604.2","0.9","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H68 O9 Si -","- C45 H68 O9 Si -","- C180 H272 O36 Si4 -","4","2","","Smith, 3rd, Amos B; Kim, Dae-Shik","The spirastrellolides: construction of the southern C(1)-C(25) fragment exploiting anion relay chemistry.","Organic letters","2007","9","17","3311","3314","10.1021/ol071282b","","","0.71073","MoKα","","0.1066","0.0673","","","0.1486","0.1838","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505474","15.0131","0.0014","24.929","0.002","27.333","0.003","112.829","0.002","99.283","0.002","104.036","0.002","8765.8","1.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H190 Li N39 Na2 O48 P6 Zn6 -","- C144 H93 Li N39 Na2 O48 P6 Zn6 -","- C288 H186 Li2 N78 Na4 O96 P12 Zn12 -","2","1","","Lee, Jae Han; Park, Jaejoon; Lah, Myoung Soo; Chin, Jik; Hong, Jong-In","High-affinity pyrophosphate receptor by a synergistic effect between metal coordination and hydrogen bonding in water.","Organic letters","2007","9","19","3729","3731","10.1021/ol071306e","","","0.71073","MoKα","","0.1318","0.0921","","","0.25","0.286","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505475","13.531","0.003","13.512","0.002","14.864","0.003","90","","115.449","0.002","90","","2453.9","0.8","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H60 N12 O4 -","- C48 H60 N12 O4 -","- C96 H120 N24 O8 -","2","1","","Columbus, Ishay; Biali, Silvio E.","The nucleophilic substitution route. A facile method for the fourfold functionalization of the methylene bridges of calix[4]arene.","Organic letters","2007","9","15","2927","2929","10.1021/ol0713178","","","0.71073","MoKα","","0.0881","0.0781","","","0.1806","0.1897","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505476","10.917","0.002","13.554","0.003","38.189","0.007","90","","90","","90","","5650.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49.5 H61.5 Br4 Cl4.5 O4.5 -","- C49.5 H61.5 Br4 Cl4.5 O4.5 -","- C198 H246 Br16 Cl18 O18 -","4","1","","Columbus, Ishay; Biali, Silvio E.","The nucleophilic substitution route. A facile method for the fourfold functionalization of the methylene bridges of calix[4]arene.","Organic letters","2007","9","15","2927","2929","10.1021/ol0713178","","","0.71073","MoKα","","0.0958","0.0648","","","0.1811","0.1896","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505477","10.613","0.002","25.517","0.006","16.593","0.004","90","","101.414","0.004","90","","4404.7","1.7","173","1","173","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 O8 -","- C52 H48 O8 -","- C208 H192 O32 -","4","1","","Columbus, Ishay; Biali, Silvio E.","The nucleophilic substitution route. A facile method for the fourfold functionalization of the methylene bridges of calix[4]arene.","Organic letters","2007","9","15","2927","2929","10.1021/ol0713178","","","0.71073","MoKα","","0.0701","0.0574","","","0.1657","0.175","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505478","18.373","0.004","20.15","0.004","24.444","0.005","90","","96.11","0.03","90","","8998","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Heptaphyrin","","","- C77 H38 F27 N4 O8 S3 -","- C77 H38 F27 N4 O8 S3 -","- C308 H152 F108 N16 O32 S12 -","4","1","","Gokulnath, Sabapathi; Prabhuraja, Viswanathan; Chandrashekar, Tavarekere K.","One-pot synthesis of oxidized and reduced heptaphyrins with unusual TFA binding.","Organic letters","2007","9","17","3355","3357","10.1021/ol0713180","","","0.71073","MoKα","","0.1397","0.0942","","","0.2419","0.2639","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505479","16.3949","0.0002","16.3949","0.0002","37.937","0.0008","90","","90","","120","","8831","0.2","143","1","143","1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C68 H52 K3 O8 Yb -","- C68 H52 K3 O8 Yb -","- C408 H312 K18 O48 Yb6 -","6","0.5","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0382","0.0351","","","0.0935","0.0954","","","","","","1.142","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505480","17.988","0.0006","31.6872","0.001","14.5672","0.0005","90","","90","","90","","8303.1","0.5","143","1","143","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C97.5 H73.5 Li3 N7.5 O6 Yb -","- C390 H294 Li12 N30 O24 Yb4 -","4","1","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0649","0.0519","","","0.1411","0.1524","","","","","","1.056","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1505481","26.793","0.003","26.793","0.003","55.967","0.005","90","","90","","120","","34794","6","143","1","143","1","","","","","","","","6","P 32","P 32","145","","","","- C538 H402 K18 N34 O38 Yb6 -","- C538 H402 K18 N34 O38 Yb6 -","- C1614 H1206 K54 N102 O114 Yb18 -","3","1","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0904","0.074","","","0.1861","0.2001","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505482","15.2265","0.001","15.2265","0.001","18.1119","0.0012","90","","90","","120","","3636.6","0.4","143","1","143","1","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 La Na3 O12 -","- C84 H84 La Na3 O12 -","- C168 H168 La2 Na6 O24 -","2","0.333333","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.032","0.0292","","","0.0745","0.0776","","","","","","1.082","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505483","15.152","0.009","15.152","0.009","18.2","0.02","90","","90","","120","","3619","5","143","1","143","1","","","","","","","","5","P 63","P 6c","173","","","","- C84 H84 Eu Na3 O12 -","- C84 H84 Eu Na3 O12 -","- C168 H168 Eu2 Na6 O24 -","2","0.333333","","Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.","Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.","Organic letters","2007","9","17","3359","3362","10.1021/ol0713234","","","0.71069","MoKα","","0.0444","0.0397","","","0.1085","0.111","","","","","","1.143","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505484","5.09253","0.00014","8.33537","0.00037","14.89683","0.00042","90.1645","0.0018","95.5873","0.0017","99.7283","0.0022","620.17","0.04","298","","298","","","","","","","","","5","P -1","-P 1","2","theobromine trifluoroacetic acid","theobromine trifluoroacetic acid","","- C9 H9 F3 N4 O4 -","- C9 H9 F3 N4 O4 -","- C18 H18 F6 N8 O8 -","2","1","","Karki, Shyam; Fábián, László; Friscić, Tomislav; Jones, William","Powder X-ray diffraction as an emerging method to structurally characterize organic solids.","Organic letters","2007","9","16","3133","3136","10.1021/ol071329t","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.03122","1.585","","","","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505485","12.44248","0.0006","12.90355","0.00055","7.67255","0.00026","90","","91.2464","0.0023","90","","1231.55","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theobromine malonic acid","theobromine malonic acid","","- C10 H12 N4 O6 -","- C10 H12 N4 O6 -","- C40 H48 N16 O24 -","4","1","","Karki, Shyam; Fábián, László; Friscić, Tomislav; Jones, William","Powder X-ray diffraction as an emerging method to structurally characterize organic solids.","Organic letters","2007","9","16","3133","3136","10.1021/ol071329t","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.02868","1.57","","","","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505486","11.7543","0.0007","13.8627","0.0009","8.3208","0.0006","90","","90","","90","","1355.84","0.15","200.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Tanaka, Masahiro; Ubukata, Minoru; Matsuo, Takafumi; Yasue, Katsutaka; Matsumoto, Katsuya; Kajimoto, Yasuyuki; Ogo, Takashi; Inaba, Takashi","One-step synthesis of heteroaromatic-fused pyrrolidines via cyclopropane ring-opening reaction: application to the PKCbeta inhibitor JTT-010.","Organic letters","2007","9","17","3331","3334","10.1021/ol071336h","","","1.54178","CuKα","","","0.0327","","","","0.1113","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505487","10.909","0.003","14.832","0.004","22.953","0.006","90","","99.361","0.004","90","","3664.4","1.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67.5 H105 Co F6 N2 O5 Sb Si2 -","- C67.48 H105.96 Co F6 N2 O4.87 Sb Si2 -","- C134.96 H211.92 Co2 F12 N4 O9.74 Sb2 Si4 -","2","1","","Hutson, Gerri E.; Dave, Apurva H.; Rawal, Viresh H.","Highly enantioselective carbonyl-ene reactions catalyzed by a hindered silyl-salen-cobalt complex.","Organic letters","2007","9","20","3869","3872","10.1021/ol071342d","","","0.71073","MoKα","","0.0729","0.0536","","","0.114","0.1197","","","","","","0.947","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505488","16.3003","0.0004","16.3003","0.0004","29.5212","0.001","90","","90","","120","","6792.9","0.3","200","","200","","","","","","","","local","4","R 3 :H","R 3","146","","","","- C16 H20 N O5.5 -","- C16 H16.5 N O5.5 -","- C288 H297 N18 O99 -","18","2","","Banwell, Martin G.; Kokas, Okanya J.; Willis, Anthony C.","Chemoenzymatic approaches to the montanine alkaloids: a total synthesis of (+)-brunsvigine.","Organic letters","2007","9","18","3503","3506","10.1021/ol071344y","","","0.71073","MoKα","","0.0644","0.0535","","0.0478","0.0457","0.0457","","","","","","1.1064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505489","9.3047","0.0001","33.0047","0.0003","13.9912","0.0001","90","","91.6476","0.0005","90","","4294.9","0.07","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Br I O6 -","- C18 H24 Br I O6 -","- C144 H192 Br8 I8 O48 -","8","4","","Banwell, Martin G.; Kokas, Okanya J.; Willis, Anthony C.","Chemoenzymatic approaches to the montanine alkaloids: a total synthesis of (+)-brunsvigine.","Organic letters","2007","9","18","3503","3506","10.1021/ol071344y","","","0.71073","MoKα","","0.046","0.0263","","0.036","0.0288","0.0288","","","","","","1.1209","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505490","9.1808","0.0003","9.4965","0.0002","9.8483","0.0003","75.5622","0.0017","70.7497","0.0013","74.6515","0.0017","769.22","0.04","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H17 Cl O4 -","- C16 H17 Cl O4 -","- C32 H34 Cl2 O8 -","2","1","","Banwell, Martin G.; Kokas, Okanya J.; Willis, Anthony C.","Chemoenzymatic approaches to the montanine alkaloids: a total synthesis of (+)-brunsvigine.","Organic letters","2007","9","18","3503","3506","10.1021/ol071344y","","","0.71073","MoKα","","0.0434","0.0331","","0.0382","0.0359","0.0359","","","","","","1.1172","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505491","6.497","0.003","17.382","0.007","15.516","0.007","90","","97.91","0.03","90","","1735.6","1.3","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 B Cl F5 I -","- C15 H18 B Cl F5 I -","- C60 H72 B4 Cl4 F20 I4 -","4","1","","Ochiai, Masahito; Hirobe, Masaya; Yoshimura, Akira; Nishi, Yoshio; Miyamoto, Kazunori; Shiro, Motoo","Internal delivery of soft chlorine and bromine atoms: stereoselective synthesis of (E)-beta-halogenovinyl(aryl)-lambda3-iodanes through domino lambda3-iodanation-1,4-halogen shift-fluorination of alkynes.","Organic letters","2007","9","17","3335","3338","10.1021/ol071345q","","","0.71075","MoKα","","","0.054","","","","0.194","","","","","","0.956","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505492","12.92","0.01","9.946","0.009","13.64","0.01","90","","98.4","0.1","90","","1734","2","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 B Cl F5 I -","- C14 H18 B Cl F5 I -","- C56 H72 B4 Cl4 F20 I4 -","4","1","","Ochiai, Masahito; Hirobe, Masaya; Yoshimura, Akira; Nishi, Yoshio; Miyamoto, Kazunori; Shiro, Motoo","Internal delivery of soft chlorine and bromine atoms: stereoselective synthesis of (E)-beta-halogenovinyl(aryl)-lambda3-iodanes through domino lambda3-iodanation-1,4-halogen shift-fluorination of alkynes.","Organic letters","2007","9","17","3335","3338","10.1021/ol071345q","","","0.7107","MoKα","","","0.042","","","","0.111","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505493","6.3772","0.0018","17.736","0.005","14.396","0.004","90","","100.597","0.005","90","","1600.5","0.8","100.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 B Cl F5 I -","- C13 H16 B Cl F5 I -","- C52 H64 B4 Cl4 F20 I4 -","4","1","","Ochiai, Masahito; Hirobe, Masaya; Yoshimura, Akira; Nishi, Yoshio; Miyamoto, Kazunori; Shiro, Motoo","Internal delivery of soft chlorine and bromine atoms: stereoselective synthesis of (E)-beta-halogenovinyl(aryl)-lambda3-iodanes through domino lambda3-iodanation-1,4-halogen shift-fluorination of alkynes.","Organic letters","2007","9","17","3335","3338","10.1021/ol071345q","","","0.7107","MoKα","","","0.0356","","","","0.109","","","","","","1.11","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505494","8.0917","0.0008","8.5743","0.0008","19.9195","0.0019","90","","94.195","0.002","90","","1378.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Dai, Lun-Zhi; Qi, Ming-Juan; Shi, Yong-Ling; Liu, Xu-Guang; Shi, Min","Gold(I)-catalyzed cascade cyclization reaction: highly regio- and diastereoselective intermolecular addition of water and alcohols to epoxy alkynes.","Organic letters","2007","9","16","3191","3194","10.1021/ol0713640","","","0.71073","MoKα","","0.0651","0.0517","","","0.1265","0.1344","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505495","7.163","0.004","8.579","0.005","15.981","0.009","83.494","0.009","85.812","0.01","84.49","0.009","969.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Br N O5 S -","- C16 H24 Br N O5 S -","- C32 H48 Br2 N2 O10 S2 -","2","1","","Dai, Lun-Zhi; Qi, Ming-Juan; Shi, Yong-Ling; Liu, Xu-Guang; Shi, Min","Gold(I)-catalyzed cascade cyclization reaction: highly regio- and diastereoselective intermolecular addition of water and alcohols to epoxy alkynes.","Organic letters","2007","9","16","3191","3194","10.1021/ol0713640","","","0.71073","MoKα","","0.1451","0.0628","","","0.1493","0.1809","","","","","","0.856","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505496","8.7636","0.0015","11.4311","0.0019","22.392","0.004","84.673","0.003","84.832","0.003","83.554","0.003","2212.2","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Me2 3T O2","","","- C22 H28 O2 S3 -","- C22 H28 O2 S3 -","- C88 H112 O8 S12 -","4","2","","Pappenfus, Ted M.; Melby, Jacob H.; Hansen, Brent B.; Sumption, Devin M.; Hubers, Scott A.; Janzen, Daron E.; Ewbank, Paul C.; McGee, Kari A.; Burand, Michael W.; Mann, Kent R.","Reverse selectivity in m-CPBA oxidation of oligothiophenes to sulfones.","Organic letters","2007","9","19","3721","3724","10.1021/ol071369x","","","0.71073","MoKα","","0.0829","0.0509","","","0.1152","0.125","","","","","","1.04","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505497","8.142","0.0016","10.833","0.002","13.146","0.003","103.28","0.03","103.16","0.03","95.53","0.03","1085.3","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Me2 6T O4","","","- C21.25 H25.5 Cl0.5 O2 S3 -","- C21.25 H25.5 Cl0.5 O2 S3 -","- C42.5 H51 Cl O4 S6 -","2","1","","Pappenfus, Ted M.; Melby, Jacob H.; Hansen, Brent B.; Sumption, Devin M.; Hubers, Scott A.; Janzen, Daron E.; Ewbank, Paul C.; McGee, Kari A.; Burand, Michael W.; Mann, Kent R.","Reverse selectivity in m-CPBA oxidation of oligothiophenes to sulfones.","Organic letters","2007","9","19","3721","3724","10.1021/ol071369x","","","0.71073","MoKα","","0.0594","0.0509","","","0.1403","0.146","","","","","","1.068","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505498","11.6972","0.0016","18.122","0.003","18.781","0.003","111.384","0.002","96.243","0.001","90.948","0.001","3678.3","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C177.9 H200.9 O12 -","- C177.9 H200.9 O12 -","- C177.9 H200.9 O12 -","1","0.5","","Nuñez, Jose E; Natarajan, Arunkumar; Khan, Saeed I.; Garcia-Garibay, Miguel A","Synthesis of a triply-bridged molecular gyroscope by a directed meridional cyclization strategy.","Organic letters","2007","9","18","3559","3561","10.1021/ol071379y","","","0.71073","MoKα","","0.0798","0.055","","","0.1336","0.1498","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505499","12.3347","0.001","4.0116","0.0003","13.6384","0.0011","90","","109.384","0.003","90","","636.6","0.09","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","0.5","","Pietrangelo, Agostino; MacLachlan, Mark J.; Wolf, Michael O.; Patrick, Brian O.","Synthesis and structures of novel luminescent bent acenedithiophenes.","Organic letters","2007","9","18","3571","3573","10.1021/ol071387e","","","0.71073","MoKα","","0.0408","0.0355","","","0.0966","0.1013","","","","","","1.125","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505500","9.6096","0.0004","11.4063","0.0005","24.2743","0.0011","90","","90","","90","","2660.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,4S,5R,8S)-4,8-bis(dimethylbenzylammonium)-2,6-dioxabicyclo [3.3.0] octane iodide–water (1/1)","","- C24 H36 I2 N2 O3 -","- C24 H36 I2 N2 O3 -","- C96 H144 I8 N8 O12 -","4","1","","Kumar, Vineet; Olsen, Carl E.; Schäffer, Susan J C; Parmar, Virinder S.; Malhotra, Sanjay V.","Synthesis and applications of novel bis(ammonium) chiral ionic liquids derived from isomannide.","Organic letters","2007","9","20","3905","3908","10.1021/ol071390y","","","0.71073","MoKα","","0.0211","0.0206","","","0.0481","0.0488","","","","","","1.125","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505501","19.778","0.012","8.141","0.005","12.696","0.008","90","","109","0.03","90","","1933","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Iodo-Compound","Myrionine hydroiodide, compound 10","","- C15 H27 I2 N2 O -","- C15 H27 I2 N2 O -","- C60 H108 I8 N8 O4 -","4","1","","Pham, Van Cuong; Jossang, Akino; Chiaroni, Angèle; Sévenet, Thierry; Nguyen, Van Hung; Bodo, Bernard","Solution and crystal conformations of myrionine, a new 8beta-alkyl-cis-decahydroquinoline of Myrioneuron nutans.","Organic letters","2007","9","18","3531","3534","10.1021/ol071393a","","","0.71073","MoKα","","0.0539","0.0406","","","0.0867","0.0934","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505502","7.319","0.004","8.911","0.003","12.178","0.007","90","","93.29","0.02","90","","792.9","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Chloro-Compound","Myrionine hydrochloride, compound 9","","- C15 H27 Cl N2 O -","- C15 H27 Cl N2 O -","- C30 H54 Cl2 N4 O2 -","2","1","","Pham, Van Cuong; Jossang, Akino; Chiaroni, Angèle; Sévenet, Thierry; Nguyen, Van Hung; Bodo, Bernard","Solution and crystal conformations of myrionine, a new 8beta-alkyl-cis-decahydroquinoline of Myrioneuron nutans.","Organic letters","2007","9","18","3531","3534","10.1021/ol071393a","","","0.71073","MoKα","","0.0365","0.0348","","","0.0897","0.0912","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505503","10.0439","0.0007","9.8777","0.0007","27.4151","0.0019","90","","90","","90","","2719.9","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C136 H144 O24 -","8","1","","Lim, Choongmin; Kang, Ji-Eun; Lee, Ji-Eun; Shin, Seunghoon","Gold-catalyzed tandem C-C and C-O bond formation: a highly diastereoselective formation of cyclohex-4-ene-1,2-diol derivatives.","Organic letters","2007","9","18","3539","3542","10.1021/ol071402f","","","0.71073","MoKα","","0.0896","0.0642","","","0.1605","0.1738","","","","","","1.15","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505504","15.833","0.005","23.216","0.007","12.201","0.004","90","","94.278","0.007","90","","4472","2","126","2","126","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.9 H54.25 Cl1.65 N3 O6.45 -","- C49.896 H54.24 Cl1.656 N3 O6.448 -","- C199.584 H216.96 Cl6.624 N12 O25.792 -","4","1","","Jiang, Xuan; Vieweger, Mario C.; Bollinger, John C.; Dragnea, Bogdan; Lee, Dongwhan","Reactivity-based fluoride detection: evolving design principles for spring-loaded turn-on fluorescent probes.","Organic letters","2007","9","18","3579","3582","10.1021/ol7014187","","","0.71073","MoKα","","0.1062","0.0553","","","0.1307","0.1645","","","","","","1.044","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505505","11.7079","0.001","15.3735","0.001","11.8425","0.001","90","","90.763","0.01","90","","2131.4","0.3","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N6 O -","- C23 H24 N6 O -","- C92 H96 N24 O4 -","4","1","","Bostai, Beatrix; Novák, Zoltán; Bényei, Attila C; Kotschy, András","Quinoidal tetrazines: formation of a fascinating compound class.","Organic letters","2007","9","17","3437","3439","10.1021/ol701442h","","x-ray","0.71073","MoKα","","","0.0629","","","","0.2407","","","","","","1.18","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505506","35.16","0.003","6.0221","0.0005","11.589","0.001","90","","106.518","0.001","90","","2352.6","0.3","208","2","208","2","","","","","","","","4","C 1 2 1","C 2y","5","KOB07","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C104 H116 N4 O20 -","4","1","","Gilley, Cynthia B.; Buller, Matthew J.; Kobayashi, Yoshihisa","New entry to convertible isocyanides for the Ugi reaction and its application to the stereocontrolled formal total synthesis of the proteasome inhibitor omuralide.","Organic letters","2007","9","18","3631","3634","10.1021/ol701446y","","","0.71073","MoKα","","0.0485","0.0419","","","0.1105","0.1148","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505507","8.525","0.0009","12.077","0.0014","25.174","0.003","90","","90","","90","","2591.8","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CG-712","","","- C28 H36 N2 O7 -","- C28 H36 N2 O7 -","- C112 H144 N8 O28 -","4","1","","Gilley, Cynthia B.; Buller, Matthew J.; Kobayashi, Yoshihisa","New entry to convertible isocyanides for the Ugi reaction and its application to the stereocontrolled formal total synthesis of the proteasome inhibitor omuralide.","Organic letters","2007","9","18","3631","3634","10.1021/ol701446y","","","0.71073","MoKα","","0.0506","0.0427","","","0.0899","0.0928","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505508","11.014","0.007","10.562","0.005","11.34","0.02","90","","100.35","0.05","90","","1298","3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 N O6 S2 -","- C24 H35 N O6 S2 -","- C48 H70 N2 O12 S4 -","2","1","","Guaragna, Annalisa; D'Errico, Stefano; D'Alonzo, Daniele; Pedatella, Silvana; Palumbo, Giovanni","A general approach to the synthesis of 1-deoxy-L-iminosugars.","Organic letters","2007","9","17","3473","3476","10.1021/ol7014847","","","0.71069","MoKα","","0.1266","0.0483","","","0.1166","0.1403","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505509","7.1046","0.0002","7.8696","0.0003","10.7309","0.0003","70.758","0.002","82.91","0.002","85.12","0.002","561.49","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Br O5 P -","- C10 H10 Br O5 P -","- C20 H20 Br2 O10 P2 -","2","1","","Badkar, Pallavi A.; Rath, Nigam P.; Spilling, Christopher D.","Asymmetric synthesis of 2-alkyl-3-phosphonopropanoic acids via P-C bond formation and hydrogenation.","Organic letters","2007","9","18","3619","3622","10.1021/ol701500s","","","0.71073","MoKα","","0.0365","0.0265","","","0.0587","0.0621","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505510","9.5558","0.001","12.2056","0.001","13.2116","0.0011","72.667","0.007","86.351","0.008","72.532","0.007","1402.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O S8 -","- C28 H20 N2 O S8 -","- C56 H40 N4 O2 S16 -","2","1","","Dolder, Stefan; Liu, Shi-Xia; Le Derf, Franck; Sallé, Marc; Neels, Antonia; Decurtins, Silvio","An original redox-responsive ligand based on a pi-extended TTF framework.","Organic letters","2007","9","19","3753","3756","10.1021/ol7015127","","","0.71073","MoKα","","0.0453","0.0291","","","0.0637","0.0665","","","","","","0.905","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505511","9.058","0.0016","14.253","0.002","14.978","0.003","108.679","0.013","93.288","0.014","94.969","0.014","1817.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.5 H25 Cl3 N2 Ni O2 S8 -","- C29.5 H25 Cl3 N2 Ni O2 S8 -","- C59 H50 Cl6 N4 Ni2 O4 S16 -","2","1","","Dolder, Stefan; Liu, Shi-Xia; Le Derf, Franck; Sallé, Marc; Neels, Antonia; Decurtins, Silvio","An original redox-responsive ligand based on a pi-extended TTF framework.","Organic letters","2007","9","19","3753","3756","10.1021/ol7015127","","","0.71073","MoKα","","0.1166","0.0624","","","0.1614","0.1851","","","","","","0.931","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505512","5.7753","0.0005","14.7522","0.0014","16.0657","0.0015","116.528","0.001","91.539","0.002","94.751","0.002","1217.32","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H60 N2 O9 -","- C60 H60 N2 O9 -","- C60 H60 N2 O9 -","1","1","","Imai, Yoshitane; Murata, Katuzo; Kawaguchi, Kakuhiro; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","A solid-state fluorescence sensing system consisting of chiral (1R,2S)-2-amino-1,2-diphenylethanol and fluorescent 2-anthracenecarboxylic acid.","Organic letters","2007","9","17","3457","3460","10.1021/ol701513a","","","0.71073","MoKα","","0.0641","0.0575","","","0.1349","0.1402","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505513","9.839","0.005","9.925","0.005","17.139","0.007","101.693","0.01","91.224","0.017","112.63","0.015","1503.6","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Br4 N2 O4 -","- C30 H34 Br4 N2 O4 -","- C60 H68 Br8 N4 O8 -","2","1","","Gao, Xike; Qiu, Wenfeng; Yang, Xiaodi; Liu, Yunqi; Wang, Ying; Zhang, Hengjun; Qi, Ting; Liu, Ying; Lu, Kun; Du, Chunyan; Shuai, Zhigang; Yu, Gui; Zhu, Daoben","First synthesis of 2,3,6,7-tetrabromonaphthalene diimide.","Organic letters","2007","9","20","3917","3920","10.1021/ol701539z","","","0.7107","MoKα","","0.11","0.0797","","","0.1854","0.2105","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505514","16.7363","0.0003","16.7363","0.0003","34.0261","0.0011","90","","90","","90","","9530.8","0.4","100","2","100","2","","","","","","","","2","I 41 c d","I 4bw -2c","110","","","","- C38 H24 -","- C38 H24 -","- C608 H384 -","16","1","","Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra","Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials.","Organic letters","2007","9","21","4091","4094","10.1021/ol7015466","","","1.54178","CuKα","","0.0215","0.021","","","0.0557","0.0559","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505515","13.9425","0.0002","25.564","0.0004","14.1545","0.0002","90","","103.492","0.001","90","","4905.8","0.13","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 -","- C62 H72 -","- C248 H288 -","4","1","","Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra","Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials.","Organic letters","2007","9","21","4091","4094","10.1021/ol7015466","","","1.54178","CuKα","","0.0608","0.0569","","","0.1454","0.1484","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505516","43.6564","0.0009","8.5048","0.0002","20.2741","0.0004","90","","116.617","0.001","90","","6729.8","0.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 -","- C46 H40 -","- C368 H320 -","8","1","","Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra","Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials.","Organic letters","2007","9","21","4091","4094","10.1021/ol7015466","","","1.54178","CuKα","","0.0394","0.0339","","","0.0876","0.0911","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505517","12.0923","0.0003","12.6176","0.0003","13.3467","0.0003","85.524","0.001","73.727","0.001","67.982","0.001","1811.39","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44.85 H37.7 Cl1.7 O6 -","- C44.852 H37.704 Cl1.704 O6 -","- C89.704 H75.408 Cl3.408 O12 -","2","1","","Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra","Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials.","Organic letters","2007","9","21","4091","4094","10.1021/ol7015466","","","1.54178","CuKα","","0.0452","0.0445","","","0.109","0.1096","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505518","30.1511","0.0005","16.3086","0.0003","41.8224","0.0007","90","","90","0.001","90","","20565","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H68 Cl18 O6 Sb3 -","- C82 H68 Cl18 O6 Sb3 -","- C656 H544 Cl144 O48 Sb24 -","8","1","","Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra","Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials.","Organic letters","2007","9","21","4091","4094","10.1021/ol7015466","","","1.54178","CuKα","","0.1141","0.1015","","","0.3042","0.3118","","","","","","2.205","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505519","11.0746","0.0003","35.7942","0.0008","16.0263","0.0004","90","","96.306","0.001","90","","6314.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H18 Br6 -","- C38 H18 Br6 -","- C304 H144 Br48 -","8","2","","Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra","Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials.","Organic letters","2007","9","21","4091","4094","10.1021/ol7015466","","","1.54178","CuKα","","0.1221","0.0735","","","0.18","0.1954","","","","","","0.996","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505520","8.0014","0.0001","8.2641","0.0002","28.8922","0.0006","90","","90","","90","","1910.48","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O9 -","- C20 H19 N O9 -","- C80 H76 N4 O36 -","4","1","","Matveenko, Maria; Kokas, Okanya J.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic approaches to lycorine-type Amaryllidaceae alkaloids: total syntheses of ent-lycoricidine, 3-epi-ent-lycoricidine, and 4-deoxy-3-epi-ent-lycoricidine.","Organic letters","2007","9","18","3683","3685","10.1021/ol701552r","","","0.71073","MoKα","","0.0428","0.029","","0.0389","0.0339","0.0339","","","","","","1.1637","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505521","5.849","0.0001","16.363","0.0004","20.729","0.0005","90","","90","","90","","1983.91","0.08","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Hong, Young-Taek; Cho, Chang-Woo; Skucas, Eduardas; Krische, Michael J.","Enantioselective reductive coupling of 1,3-enynes to glyoxalates mediated by hydrogen: asymmetric synthesis of beta,gamma-unsaturated alpha-hydroxy esters.","Organic letters","2007","9","19","3745","3748","10.1021/ol7015548","","","0.71073","MoKα","","0.1029","0.0525","","","0.1014","0.1175","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505522","16.2372","0.0013","7.5016","0.0006","10.8942","0.0009","90","","100.061","0.0011","90","","1306.56","0.18","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-chloro-7-methoxy-9b-methyl-2,3,3a,4,5,9b-hexahydro-1H- cyclopenta[a]naphthalen-1-one","","- C15 H17 Cl O2 -","- C15 H17 Cl O2 -","- C60 H68 Cl4 O8 -","4","1","","Grant, Tina N.; West, F. G.","Interrupted nazarov reactions using dichlorocyclopropanes: a novel mode of arene trapping.","Organic letters","2007","9","19","3789","3792","10.1021/ol7015669","","","0.71073","MoKα","","0.0384","0.0352","","","0.0966","0.1002","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505523","15.9739","0.0017","8.89","0.001","18.522","0.002","90","","90","","90","","2630.3","0.5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cl O2 -","- C15 H17 Cl O2 -","- C120 H136 Cl8 O16 -","8","1","","Grant, Tina N.; West, F. G.","Interrupted nazarov reactions using dichlorocyclopropanes: a novel mode of arene trapping.","Organic letters","2007","9","19","3789","3792","10.1021/ol7015669","","","0.71073","MoKα","","0.0382","0.0333","","","0.0894","0.0943","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505524","6.7178","0.0005","10.7213","0.0007","10.9182","0.0007","102.072","0.0009","90.4764","0.0009","91.3604","0.001","768.69","0.09","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Cl O2 -","- C19 H17 Cl O2 -","- C38 H34 Cl2 O4 -","2","1","","Grant, Tina N.; West, F. G.","Interrupted nazarov reactions using dichlorocyclopropanes: a novel mode of arene trapping.","Organic letters","2007","9","19","3789","3792","10.1021/ol7015669","","","0.71073","MoKα","","0.0374","0.0344","","","0.0935","0.0961","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505525","12.4189","0.0003","14.1141","0.0004","13.3855","0.0005","90","","108.808","0.001","90","","2220.95","0.12","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N5 O S -","- C24 H20 Cl N5 O S -","- C96 H80 Cl4 N20 O4 S4 -","4","1","","Guo, Jixi; Liu, Lang; Liu, Guangfei; Jia, Dianzeng; Xie, Xiaolin","Synthesis and solid-state photochromism of 1,3-diphenyl-4- (2-chlorobenzal)-5-hydroxypyrazole 4-methylthiosemicarbazone.","Organic letters","2007","9","20","3989","3992","10.1021/ol7016005","","","0.71073","MoKα","","0.0419","0.0387","","","0.1003","0.1022","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505526","16.0128","0.0008","6.0024","0.0003","18.8175","0.0011","90","","104.291","0.002","90","","1752.68","0.16","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl N2 O2 -","- C22 H15 Cl N2 O2 -","- C88 H60 Cl4 N8 O8 -","4","1","","Guo, Jixi; Liu, Lang; Liu, Guangfei; Jia, Dianzeng; Xie, Xiaolin","Synthesis and solid-state photochromism of 1,3-diphenyl-4- (2-chlorobenzal)-5-hydroxypyrazole 4-methylthiosemicarbazone.","Organic letters","2007","9","20","3989","3992","10.1021/ol7016005","","","0.71073","MoKα","","0.0824","0.0649","","","0.1741","0.1867","","","","","","1.078","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505527","18.2817","0.0003","18.2817","0.0003","5.1851","0.0002","90","","90","","120","","1500.79","0.07","90","2","90","2","","","","","","","","5","P 32","P 32","145","4-SF5-pyrazole","","","- C3 H3 F5 N2 S -","- C3 H3 F5 N2 S -","- C27 H27 F45 N18 S9 -","9","3","","Ye, Chengfeng; Gard, Gary L.; Winter, Rolf W.; Syvret, Robert G.; Twamley, Brendan; Shreeve, Jean'ne M.","Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry.","Organic letters","2007","9","19","3841","3844","10.1021/ol701602a","","x-ray","0.71073","MoKα","","0.0529","0.0482","","","0.1056","0.108","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505528","10.5484","0.0005","6.0792","0.0003","10.0794","0.0005","90","","113.311","0.001","90","","593.59","0.05","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-dihydro-1H-[1,2,3]triazole-4-SF5","","","- C2 H2 F5 N3 S -","- C2 H2 F5 N3 S -","- C8 H8 F20 N12 S4 -","4","1","","Ye, Chengfeng; Gard, Gary L.; Winter, Rolf W.; Syvret, Robert G.; Twamley, Brendan; Shreeve, Jean'ne M.","Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry.","Organic letters","2007","9","19","3841","3844","10.1021/ol701602a","","x-ray","0.71073","MoKα","","0.0273","0.0269","","","0.0742","0.0758","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505529","19.365","0.004","11.66","0.002","15.931","0.003","90","","124.003","0.003","90","","2982.1","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","1","","Taylor, Mark S.; Swager, Timothy M.","Triptycenediols by rhodium-catalyzed [2+2+2] cycloaddition.","Organic letters","2007","9","18","3695","3697","10.1021/ol701642j","","","0.71073","MoKα","","0.0651","0.0484","","","0.1217","0.1335","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505530","6.1272","0.0008","11.9338","0.0016","10.1958","0.0013","90","","92.659","0.002","90","","744.72","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Cao, Chun-Li; Sun, Xiu-Li; Kang, Yan-Biao; Tang, Yong","Enantioselective formal [3+3] annulation for the direct construction of bicyclic skeletons with four stereogenic centers.","Organic letters","2007","9","21","4151","4154","10.1021/ol701669b","","","0.71073","MoKα","","0.0461","0.0443","","","0.1145","0.116","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505531","7.0918","0.0013","10.3796","0.0019","11.126","0.002","90","","98.132","0.003","90","","810.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 Br O4 -","- C17 H19 Br O4 -","- C34 H38 Br2 O8 -","2","1","","Cao, Chun-Li; Sun, Xiu-Li; Kang, Yan-Biao; Tang, Yong","Enantioselective formal [3+3] annulation for the direct construction of bicyclic skeletons with four stereogenic centers.","Organic letters","2007","9","21","4151","4154","10.1021/ol701669b","","","0.71073","MoKα","","0.0784","0.0476","","","0.1352","0.1619","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505532","6.6196","0.001","20.669","0.003","11.6156","0.0017","90","","100.003","0.002","90","","1565.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Cao, Chun-Li; Sun, Xiu-Li; Kang, Yan-Biao; Tang, Yong","Enantioselective formal [3+3] annulation for the direct construction of bicyclic skeletons with four stereogenic centers.","Organic letters","2007","9","21","4151","4154","10.1021/ol701669b","","","0.71073","MoKα","","0.0799","0.0494","","","0.1037","0.1117","","","","","","0.878","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505533","5.826","0.0001","10.946","0.0003","28.979","0.0007","90","","90","","90","","1848.03","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 O5 S -","- C16 H32 O5 S -","- C64 H128 O20 S4 -","4","1","","Colobert, Françoise; Choppin, Sabine; Ferreiro-Mederos, Leticia; Obringer, Michel; Arratta, Sandra Luengo; Urbano, Antonio; Carreño, M Carmen","Polysubstituted oxygen heterocycles by a Reformatsky-type reaction/reductive cyclization approach from enantiopure beta-ketosulfoxides.","Organic letters","2007","9","22","4451","4454","10.1021/ol701670g","","","0.71073","MoKα","","0.0508","0.0399","","","0.0767","0.0808","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505534","9.8046","0.0008","14.0001","0.0012","26.276","0.002","90","","90","","90","","3606.8","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07026","","","- C38 H47 N O10 S -","- C38 H47 N O10 S -","- C152 H188 N4 O40 S4 -","4","1","","Oppenheimer, Jossian; Hsung, Richard P.; Figueroa, Ruth; Johnson, Whitney L.","Stereochemical control of both C-C and C-N axial chirality in the synthesis of chiral N,O-biaryls.","Organic letters","2007","9","20","3969","3972","10.1021/ol701692m","","","0.71073","MoKα","","0.0531","0.0442","","","0.1204","0.1306","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505535","11.6601","0.001","10.7203","0.0009","21.3025","0.0018","90","","92.575","0.002","90","","2660.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","07035","","","- C29 H35 N O7 -","- C29 H35 N O7 -","- C116 H140 N4 O28 -","4","1","","Oppenheimer, Jossian; Hsung, Richard P.; Figueroa, Ruth; Johnson, Whitney L.","Stereochemical control of both C-C and C-N axial chirality in the synthesis of chiral N,O-biaryls.","Organic letters","2007","9","20","3969","3972","10.1021/ol701692m","","","0.71073","MoKα","","0.0546","0.0418","","","0.1164","0.1297","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505536","6.8783","0.0012","10.2073","0.0018","12.061","0.002","74.717","0.003","80.936","0.004","82.909","0.003","803.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 Cl O3 -","- C20.07 H16 Cl O3 -","- C40.14 H32 Cl2 O6 -","2","1","","Shi, Min; Tang, Xiang-Ying; Yang, Yong-Hua","Lewis acid mediated reactions of 1-cyclopropyl-2-arylethanones with allenic esters: a facile synthetic protocol for the preparation of dihydrofuro[2,3-h]chromen-2-one derivatives.","Organic letters","2007","9","20","4017","4020","10.1021/ol701713y","","","0.71073","MoKα","","0.1176","0.0855","","","0.2556","0.2846","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505537","7.1088","0.001","8.1024","0.0011","22.341","0.003","90","","90","","90","","1286.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Shi, Min; Tang, Xiang-Ying; Yang, Yong-Hua","Lewis acid mediated reactions of 1-cyclopropyl-2-arylethanones with allenic esters: a facile synthetic protocol for the preparation of dihydrofuro[2,3-h]chromen-2-one derivatives.","Organic letters","2007","9","20","4017","4020","10.1021/ol701713y","","","0.71073","MoKα","","0.0526","0.0399","","","0.0852","0.0886","","","","","","0.918","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505538","7.545","0.0008","12.3334","0.0013","15.3243","0.0016","77.685","0.002","80.438","0.002","74.498","0.002","1333.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 O2 -","- C15 H12 Cl2 O2 -","- C60 H48 Cl8 O8 -","4","2","","Shi, Min; Tang, Xiang-Ying; Yang, Yong-Hua","Lewis acid mediated reactions of 1-cyclopropyl-2-arylethanones with allenic esters: a facile synthetic protocol for the preparation of dihydrofuro[2,3-h]chromen-2-one derivatives.","Organic letters","2007","9","20","4017","4020","10.1021/ol701713y","","","0.71073","MoKα","","0.0705","0.0513","","","0.127","0.136","","","","","","0.946","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505539","12.568","0.007","16.286","0.009","24.219","0.014","90","","99.468","0.006","90","","4890","5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H72 Br N O4 -","- C52 H72 Br N O4 -","- C208 H288 Br4 N4 O16 -","4","2","","Xu, Zhen-Xiang; Zhang, Chun; Zheng, Qi-Yu; Chen, Chuan-Feng; Huang, Zhi-Tang","A new approach to enantiopure inherently chiral calix[4]arenes: determination of their absolute configurations.","Organic letters","2007","9","22","4447","4450","10.1021/ol701714q","","","0.7107","MoKα","","0.0911","0.0677","","","0.1293","0.1411","","","","","","1.083","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505540","13.7323","0.0006","13.6624","0.0006","32.8806","0.0017","90","","96.449","0.002","90","","6129.9","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64.5 H95 N3 O7.5 -","- C64.5 H95 N3 O7.5 -","- C258 H380 N12 O30 -","4","2","","Xu, Zhen-Xiang; Zhang, Chun; Zheng, Qi-Yu; Chen, Chuan-Feng; Huang, Zhi-Tang","A new approach to enantiopure inherently chiral calix[4]arenes: determination of their absolute configurations.","Organic letters","2007","9","22","4447","4450","10.1021/ol701714q","","","0.7107","MoKα","","0.066","0.0597","","","0.1527","0.1578","","","","","","1.072","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505541","18.3891","0.0003","9.4372","0.0001","18.776","0.0003","90","","90","","90","","3258.42","0.08","100","2","100","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C136 H168 N8 O40 -","8","2","","Isambert, Nicolas; Cruz, Montse; Arévalo, María José; Gómez, Elena; Lavilla, Rodolfo","Enol esters: versatile substrates for Mannich-type multicomponent reactions.","Organic letters","2007","9","21","4199","4202","10.1021/ol701717z","","x-ray","0.7107","MoKα","","0.0412","0.036","","","0.087","0.0896","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505542","9.5653","0.0014","18.264","0.002","11.4924","0.0016","90","","101.294","0.002","90","","1968.9","0.5","243","2","243","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N3 O3 S -","- C17 H22 Br N3 O3 S -","- C68 H88 Br4 N12 O12 S4 -","4","2","","Perl, Nicholas R.; Leighton, James L.","Enantioselective imidazole-directed allylation of aldimines and ketimines.","Organic letters","2007","9","18","3699","3701","10.1021/ol701723w","","","0.71073","MoKα","","0.0861","0.0404","","","0.0984","0.1182","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505543","7.6121","0.0018","11.628","0.004","12.241","0.004","98.942","0.011","106.273","0.012","96.624","0.011","1012.9","0.5","103.15","","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 F6 N O4 P -","- C18 H23 F6 N O4 P -","- C36 H46 F12 N2 O8 P2 -","2","1","","Tanabe, Kana; Yasuda, Takuma; Yoshio, Masafumi; Kato, Takashi","Viologen-based redox-active ionic liquid crystals forming columnar phases.","Organic letters","2007","9","21","4271","4274","10.1021/ol701741e","","","0.7107","MoKα","","0.0367","0.0302","","","0.0792","0.0826","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505544","7.1777","0.0003","10.2206","0.0005","18.6229","0.0009","90","","90","","90","","1366.18","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","00135M","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Ko, Changhong; Hsung, Richard P.; Al-Rashid, Ziyad F; Feltenberger, John B.; Lu, Ting; Yang, Jin-Haek; Wei, Yonggang; Zificsak, Craig A.","A stereoselective intramolecular halo-etherification of chiral enamides in the synthesis of halogenated cyclic ethers.","Organic letters","2007","9","22","4459","4462","10.1021/ol701768n","","","0.71073","MoKα","","0.0272","0.0248","","","0.0566","0.0578","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505545","20.682","0.004","5.9165","0.001","11.67","0.002","90","","115.333","0.002","90","","1290.7","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","07112a","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C52 H56 Br4 N4 O12 -","4","1","","Ko, Changhong; Hsung, Richard P.; Al-Rashid, Ziyad F; Feltenberger, John B.; Lu, Ting; Yang, Jin-Haek; Wei, Yonggang; Zificsak, Craig A.","A stereoselective intramolecular halo-etherification of chiral enamides in the synthesis of halogenated cyclic ethers.","Organic letters","2007","9","22","4459","4462","10.1021/ol701768n","","","0.71073","MoKα","","0.0455","0.0352","","","0.0791","0.083","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505546","12.706","0.003","20.186","0.004","19.259","0.004","90","","105.74","0.03","90","","4754.4","1.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.33 H51.97 F7.2 N2.2 O9.19 P1.2 -","- C47.436 H51.058 F7.2 N2.2 O9.206 P1.2 -","- C189.744 H204.232 F28.8 N8.8 O36.824 P4.8 -","4","1","","Han, Tao; Chen, Chuan-Feng","Formation of ternary complexes between a macrotricyclic host and hetero-guest pairs: an acid-base controlled selective complexation process.","Organic letters","2007","9","21","4207","4210","10.1021/ol701770h","","","0.71073","MoKα","","0.142","0.1278","","","0.3852","0.3975","","","","","","1.626","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505547","9.6754","0.0014","20.321","0.005","13.4329","0.0019","90","","103.72","0.012","90","","2565.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl N4 O3 S -","- C26 H31 Cl N4 O3 S -","- C104 H124 Cl4 N16 O12 S4 -","4","1","","Ryabukhin, Sergey V.; Plaskon, Andrey S.; Ostapchuk, Eugeniy N.; Volochnyuk, Dmitriy M.; Shishkin, Oleg V.; Shivanyuk, Alexander N.; Tolmachev, Andrey A.","A one-step fusion of 1,3-thiazine and pyrimidine cycles.","Organic letters","2007","9","21","4215","4218","10.1021/ol701782v","","","0.71073","MoKα","","0.0734","0.0472","","","0.1279","0.1376","","","","","","0.969","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505548","16.405","0.006","8.826","0.002","16.6428","0.0009","90","","99.179","0.012","90","","2378.9","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N3 O3 S -","- C26 H23 N3 O3 S -","- C104 H92 N12 O12 S4 -","4","1","","Ryabukhin, Sergey V.; Plaskon, Andrey S.; Ostapchuk, Eugeniy N.; Volochnyuk, Dmitriy M.; Shishkin, Oleg V.; Shivanyuk, Alexander N.; Tolmachev, Andrey A.","A one-step fusion of 1,3-thiazine and pyrimidine cycles.","Organic letters","2007","9","21","4215","4218","10.1021/ol701782v","","","0.71073","MoKα","","0.1021","0.0573","","","0.1541","0.1847","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505549","11.5379","0.0013","10.6801","0.0012","13.8158","0.0015","90","","100.801","0.005","90","","1672.3","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O6 -","- C35 H54 O6 -","- C70 H108 O12 -","2","1","","Korapala, Chandra Sekhar; Qin, Jun; Friestad, Gregory K.","Quinine synthesis studies: a radical-ionic annulation via Mn-mediated addition to chiral N-acylhydrazones.","Organic letters","2007","9","21","4243","4246","10.1021/ol7017938","","","0.71073","MoKα","","0.0464","0.0432","","","0.1107","0.1137","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505550","18.774","0.004","14.394","0.003","6.8848","0.0014","90","","99.94","0.03","90","","1832.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Li, Yuanzhen; Zou, Haixia; Gong, Jianxian; Xiang, Jing; Luo, Tuoping; Quan, Junmin; Wang, Guoxin; Yang, Zhen","Efficient synthesis of maleimides and carbazoles via Zn(OTf)(2)-catalyzed tandem annulations of isonitriles and allenic esters.","Organic letters","2007","9","20","4057","4060","10.1021/ol7018086","","","0.71073","MoKα","","0.1045","0.0562","","","0.1349","0.1479","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505551","19.368","0.004","14.472","0.003","7.2337","0.0014","90","","100.02","0.03","90","","1996.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Li, Yuanzhen; Zou, Haixia; Gong, Jianxian; Xiang, Jing; Luo, Tuoping; Quan, Junmin; Wang, Guoxin; Yang, Zhen","Efficient synthesis of maleimides and carbazoles via Zn(OTf)(2)-catalyzed tandem annulations of isonitriles and allenic esters.","Organic letters","2007","9","20","4057","4060","10.1021/ol7018086","","","0.71073","MoKα","","0.1378","0.0441","","","0.0668","0.0728","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505552","10.858","0.008","3.941","0.003","15.241","0.015","90","","103.6","0.03","90","","633.9","0.9","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2a","BBBT","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","0.5","","Ebata, Hideaki; Miyazaki, Eigo; Yamamoto, Tatsuya; Takimiya, Kazuo","Synthesis, properties, and structures of benzo[1,2-b:4,5-b']bis[b]benzothiophene and benzo[1,2-b:4,5-b']bis[b]benzoselenophene.","Organic letters","2007","9","22","4499","4502","10.1021/ol701815j","","","0.71069","MoKα","","0.0781","0.0666","","","0.1946","0.2198","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505553","14.646","0.002","8.669","0.001","10.955","0.001","90","","103.934","0.009","90","","1350","0.3","298.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H10 Se2 -","- C18 H10 Se2 -","- C72 H40 Se8 -","4","1","","Ebata, Hideaki; Miyazaki, Eigo; Yamamoto, Tatsuya; Takimiya, Kazuo","Synthesis, properties, and structures of benzo[1,2-b:4,5-b']bis[b]benzothiophene and benzo[1,2-b:4,5-b']bis[b]benzoselenophene.","Organic letters","2007","9","22","4499","4502","10.1021/ol701815j","","","0.7107","MoKα","","","0.0314","","","","0.1197","","","","","","0.79","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505554","11.8531","0.0004","15.0607","0.0006","12.8521","0.0006","90","","109.452","0.002","90","","2163.35","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O5 S -","- C24 H24 N2 O5 S -","- C96 H96 N8 O20 S4 -","4","1","","Sunderhaus, James D.; Dockendorff, Chris; Martin, Stephen F.","Applications of multicomponent reactions for the synthesis of diverse heterocyclic scaffolds.","Organic letters","2007","9","21","4223","4226","10.1021/ol7018357","","","0.71073","MoKα","","0.0566","0.039","","","0.0911","0.1005","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505555","7.9092","0.0002","11.1819","0.0003","18.8422","0.0005","90","","93.523","0.001","90","","1663.25","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Br Cl N2 O2 -","- C15 H20 Br Cl N2 O2 -","- C60 H80 Br4 Cl4 N8 O8 -","4","1","","Sunderhaus, James D.; Dockendorff, Chris; Martin, Stephen F.","Applications of multicomponent reactions for the synthesis of diverse heterocyclic scaffolds.","Organic letters","2007","9","21","4223","4226","10.1021/ol7018357","","","0.71073","MoKα","","0.1009","0.0471","","","0.1064","0.1287","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505556","14.5524","0.0002","16.6177","0.0003","16.8513","0.0003","90","","90","","90","","4075.11","0.12","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H29 I N O2 -","- C21 H29 I N O2 -","- C168 H232 I8 N8 O16 -","8","1","","Sunderhaus, James D.; Dockendorff, Chris; Martin, Stephen F.","Applications of multicomponent reactions for the synthesis of diverse heterocyclic scaffolds.","Organic letters","2007","9","21","4223","4226","10.1021/ol7018357","","","0.71073","MoKα","","0.0478","0.0314","","","0.0754","0.0829","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505557","21.8166","0.0015","9.6838","0.0007","13.0549","0.0009","90","","100.884","0.001","90","","2708.5","0.3","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","1","","Song, Jinhua; Mishima, Masaaki; Rappoport, Zvi","Isomeric solid enols on ring- and amide-carbonyls of substituted 2-carbanilido-1,3-indandiones.","Organic letters","2007","9","21","4307","4310","10.1021/ol7018554","","","0.71073","MoKα","","0.0593","0.0559","","","0.1247","0.1266","","","","","","1.181","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505558","3.832","0.0005","32.309","0.004","11.8364","0.0016","90","","93.452","0.002","90","","1462.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","Song, Jinhua; Mishima, Masaaki; Rappoport, Zvi","Isomeric solid enols on ring- and amide-carbonyls of substituted 2-carbanilido-1,3-indandiones.","Organic letters","2007","9","21","4307","4310","10.1021/ol7018554","","","0.71073","MoKα","","0.0691","0.0572","","","0.1195","0.1257","","","","","","1.191","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505559","54.515","0.005","3.8897","0.0004","26.331","0.003","90","","103.117","0.002","90","","5437.7","1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C272 H208 N16 O64 -","16","2","","Song, Jinhua; Mishima, Masaaki; Rappoport, Zvi","Isomeric solid enols on ring- and amide-carbonyls of substituted 2-carbanilido-1,3-indandiones.","Organic letters","2007","9","21","4307","4310","10.1021/ol7018554","","","0.71073","MoKα","","0.1261","0.0928","","","0.1509","0.1638","","","","","","1.273","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505560","15.0309","0.0004","15.0309","0.0004","37.985","0.002","90","","90","","90","","8581.9","0.6","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H54 N2 O7 S2 -","- C46 H54 N2 O7 S2 -","- C368 H432 N16 O56 S16 -","8","1","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.1551","0.0926","","","0.1473","0.1657","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505561","12.5267","0.001","12.6609","0.001","21.3678","0.0017","90","","90","","90","","3388.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 N O5 S -","- C36 H45 N O5 S -","- C144 H180 N4 O20 S4 -","4","1","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.0387","0.0332","","","0.0782","0.081","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505562","12.2363","0.0004","6.9249","0.0002","21.8636","0.0007","90","","91.375","0.001","90","","1852.08","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H53 N O5 S -","- C40 H53 N O5 S -","- C80 H106 N2 O10 S2 -","2","1","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.0352","0.0321","","","0.0807","0.0831","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505563","14.267","0.003","7.619","0.0016","34.013","0.007","90","","91.388","0.004","90","","3696.1","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O4 S -","- C25 H32 N2 O4 S -","- C150 H192 N12 O24 S6 -","6","3","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.0886","0.0663","","","0.1541","0.1658","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505564","9.8222","0.0017","12.934","0.002","14.118","0.003","113.965","0.002","93.434","0.003","109.602","0.003","1503.3","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Br2 N2 O2 S -","- C33 H30 Br2 N2 O2 S -","- C66 H60 Br4 N4 O4 S2 -","2","1","","Wei, Jingqiang; Shaw, Jared T.","Diastereoselective synthesis of gamma-lactams by a one-pot, four-component reaction.","Organic letters","2007","9","20","4077","4080","10.1021/ol701911u","","","0.71073","MoKα","","0.0937","0.0693","","","0.1453","0.1562","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505565","13.69","0.002","5.8634","0.0008","20.31","0.003","90","","103.935","0.003","90","","1582.3","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Wei, Jingqiang; Shaw, Jared T.","Diastereoselective synthesis of gamma-lactams by a one-pot, four-component reaction.","Organic letters","2007","9","20","4077","4080","10.1021/ol701911u","","","0.71073","MoKα","","0.0619","0.039","","","0.0927","0.1047","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505566","9.786","0.001","10.0112","0.0011","10.4204","0.0011","90","","107.503","0.002","90","","973.62","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O8 -","- C18 H24 N2 O8 -","- C36 H48 N4 O16 -","2","1","","Namiki, Hidenori; Chamberland, Stephen; Gubler, Daniel A.; Williams, Robert M.","Synthetic and biosynthetic studies on FR900482 and mitomycin C: an efficient and stereoselective hydroxymethylation of an advanced benzazocane intermediate.","Organic letters","2007","9","26","5341","5344","10.1021/ol701960v","","","0.71073","MoKα","","0.0374","0.0368","","","0.103","0.104","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505567","6.215","0.006","7.015","0.006","26.6","0.02","90","","90.404","0.012","90","","1159.7","1.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Shen, Quansheng; Huang, Wen; Wang, Jialiang; Zhou, Xigeng","SmCl3-catalyzed C-acylation of 1,3-dicarbonyl compounds and malononitrile.","Organic letters","2007","9","22","4491","4494","10.1021/ol701961z","","","0.71073","MoKα","","0.1186","0.1028","","","0.3046","0.314","","","","","","1.171","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505568","8.2834","0.0007","8.7572","0.0008","11.1751","0.0011","68.344","0.003","78.448","0.004","87.094","0.004","737.92","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","FROCJ01","","","- C13 H23 Br N O4 -","- C13 H23 Br N O4 -","- C26 H46 Br2 N2 O8 -","2","1","","Jiang, Chao; Frontier, Alison J.","Stereoselective synthesis of pyrrolidine derivatives via reduction of substituted pyrroles.","Organic letters","2007","9","24","4939","4942","10.1021/ol701962w","","","0.71073","MoKα","","0.0333","0.0297","","","0.0875","0.0893","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505569","6.3792","0.0005","9.5181","0.0009","22.6948","0.0019","90","","90","","90","","1378","0.2","150","2","150","2","","","","","","","Ralph Lumby, reaction RJL2/6MAD","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Lumby, Ralph J. R.; Joensuu, Pekka M.; Lam, Hon Wai","Diastereoselective intermolecular cobalt-catalyzed reductive aldol reactions of alpha,beta-unsaturated amides with ketones.","Organic letters","2007","9","21","4367","4370","10.1021/ol701980e","","","0.71073","MoKα","","0.0551","0.0345","","","0.0637","0.0683","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505570","11.7337","0.0002","17.5364","0.0004","26.0481","0.0005","90","","91.162","0.001","90","","5358.73","0.18","150","","150","","","","","","","","Ralph Lamby, RJL2/56MAD","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C192 H368 N16 O48 -","16","4","","Lumby, Ralph J. R.; Joensuu, Pekka M.; Lam, Hon Wai","Diastereoselective intermolecular cobalt-catalyzed reductive aldol reactions of alpha,beta-unsaturated amides with ketones.","Organic letters","2007","9","21","4367","4370","10.1021/ol701980e","","","0.71073","MoKα","","0.069","0.0317","","0.1123","0.08","0.1123","","","","","","0.9462","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505571","6.0237","0.0001","10.011","0.0002","22.8384","0.0005","90","","92.22","0.001","90","","1376.2","0.05","150","2","150","2","","","","","","","Ralph Lumby","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 N O3 -","- C13 H25 N O3 -","- C52 H100 N4 O12 -","4","1","","Lumby, Ralph J. R.; Joensuu, Pekka M.; Lam, Hon Wai","Diastereoselective intermolecular cobalt-catalyzed reductive aldol reactions of alpha,beta-unsaturated amides with ketones.","Organic letters","2007","9","21","4367","4370","10.1021/ol701980e","","","0.71073","MoKα","","0.0758","0.0509","","","0.1206","0.1317","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505572","10.085","0.001","16.279","0.002","13.421","0.002","90","","101.56","0.01","90","","2158.7","0.5","287","2","287","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O7 -","- C24 H20 N2 O7 -","- C96 H80 N8 O28 -","4","1","","Guo, Xin; Huang, Haoxi; Yang, Liping; Hu, Wenhao","Trapping of oxonium ylide with isatins: efficient and stereoselective construction of adjacent quaternary carbon centers.","Organic letters","2007","9","23","4721","4723","10.1021/ol7019857","","","0.71073","MoKα","","0.0605","0.0397","","","0.0997","0.1048","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505573","8.7609","0.0004","10.2902","0.0005","18.3852","0.0008","101.069","0.002","100.895","0.002","92.606","0.003","1591.54","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","DPM","","","- C44 H36 Fe N2 -","- C44.39 H35.745 Fe N1.805 -","- C88.78 H71.49 Fe2 N3.61 -","2","1","","Ramakrishnan, S.; Srinivasan, Alagar","ansa-Metallocene-based cyclic[2]pyrroles.","Organic letters","2007","9","23","4769","4772","10.1021/ol702021k","","","0.71073","MoKα","","0.1563","0.0908","","","0.2375","0.2562","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505574","17.8893","0.0014","10.0632","0.0007","19.1662","0.0015","90","","92.893","0.004","90","","3446","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fe-calix","","","- C47 H40 Fe N2 -","- C47 H40 Fe N2 -","- C188 H160 Fe4 N8 -","4","1","","Ramakrishnan, S.; Srinivasan, Alagar","ansa-Metallocene-based cyclic[2]pyrroles.","Organic letters","2007","9","23","4769","4772","10.1021/ol702021k","","","0.71073","MoKα","","0.083","0.0722","","","0.1851","0.1932","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505575","17.9925","0.0012","10.1572","0.0006","19.0746","0.0013","90","","90.827","0.002","90","","3485.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ru-calix","","","- C47 H40 N2 Ru -","- C47 H40 N2 Ru -","- C188 H160 N8 Ru4 -","4","1","","Ramakrishnan, S.; Srinivasan, Alagar","ansa-Metallocene-based cyclic[2]pyrroles.","Organic letters","2007","9","23","4769","4772","10.1021/ol702021k","","","0.71073","MoKα","","0.1264","0.1084","","","0.2581","0.2717","","","","","","1.315","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505576","34.7389","0.0005","34.7389","0.0005","14.3489","0.0002","90","","90","","90","","17316.1","0.4","295","2","295","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C80 H104 Cl2 N2 Na2 O26 -","- C80 H104 Cl2 N2 Na2 O26 -","- C640 H832 Cl16 N16 Na16 O208 -","8","0.5","","Hsueh, Sheng-Yao; Lai, Chien-Chen; Liu, Yi-Hung; Wang, Yu; Peng, Shie-Ming; Chiu, Sheng-Hsien","Protecting a squaraine near-IR dye through its incorporation in a slippage-derived [2]rotaxane.","Organic letters","2007","9","22","4523","4526","10.1021/ol702050w","","","0.71073","MoKα","","0.1578","0.0838","","","0.2386","0.2796","","","","","","1.291","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505577","18.691","0.005","20.136","0.006","18.096","0.005","90","","115.595","0.005","90","","6142","3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","lithium-1,2-bis(diphenylphosphoryl)benzene 1:2 complex","","","- C60 H48 Li O11 P4 -","- C60 H48 Li O11 P4 -","- C240 H192 Li4 O44 P16 -","4","1","","Hatano, Manabu; Takagi, Eri; Ishihara, Kazuaki","Sodium phenoxide-phosphine oxides as extremely active Lewis base catalysts for the Mukaiyama aldol reaction with ketones.","Organic letters","2007","9","22","4527","4530","10.1021/ol702052r","","","0.71073","MoKα","","0.2656","0.1262","","","0.3283","0.3725","","","","","","1.584","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505578","11.1746","0.0003","11.3015","0.0003","14.1456","0.0005","90","","90","","90","","1786.44","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Br N2 O2 S -","- C16 H25 Br N2 O2 S -","- C64 H100 Br4 N8 O8 S4 -","4","1","","Zhao, Baoguo; Yuan, Weicheng; Du, Haifeng; Shi, Yian","Cu(I)-catalyzed intermolecular diamination of activated terminal olefins.","Organic letters","2007","9","24","4943","4945","10.1021/ol702061s","","","0.71073","MoKα","","0.1145","0.0642","","","0.1294","0.1525","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505579","12.3183","0.0007","12.3183","0.0007","29.975","0.002","90","","90","","120","","3939","0.4","153","2","153","2","","","","","","","synthesis as described","4","P 32 2 1","P 32 2""","154","","","","- C23 H22 N4 O15 -","- C23 H22 N4 O15 -","- C138 H132 N24 O90 -","6","1","","König, Christian M; Harms, Klaus; Koert, Ulrich","Stereoselective synthesis of methyl 7-dihydro-trioxacarcinoside B.","Organic letters","2007","9","23","4777","4779","10.1021/ol702078t","","x-ray","0.71073","MoKα","","0.0851","0.0379","","","0.0507","0.0595","","","","","","0.874","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505580","23.563","0.001","8.728","0.001","19.397","0.001","90","","90.48","0.01","90","","3989","0.5","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C80 H134 N4 O13 -","- C80 H134 N4 O13 -","- C160 H268 N8 O26 -","2","0.5","","Zhang, Yu-Mei; Tan, Ning-Hua; Lu, Yang; Chang, Ying; Jia, Rui-Rui","Chamobtusin A, a novel skeleton diterpenoid alkaloid from Chamaecyparis obtusa cv. tetragon.","Organic letters","2007","9","22","4579","4581","10.1021/ol702087h","","","0.71073","MoKα","","0.0612","0.0543","","","0.1449","0.1523","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505581","5.1439","0.0005","12.3424","0.0012","15.4385","0.0015","90","","90","","90","","980.16","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C40 H48 Cl4 N4 O4 -","4","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0496","0.0448","","","0.0994","0.102","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505582","10.4278","0.0014","8.5518","0.0012","19.106","0.003","90","","90","","90","","1703.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl N O2 -","- C7 H12 Cl N O2 -","- C56 H96 Cl8 N8 O16 -","8","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0755","0.0557","","","0.1176","0.1254","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505583","9.3175","0.0008","16.5043","0.0013","12.3112","0.001","90","","109.498","0.002","90","","1784.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 Cl N O8 -","- C14 H20 Cl N O8 -","- C56 H80 Cl4 N4 O32 -","4","2","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0723","0.0602","","","0.1207","0.1278","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505584","8.1991","0.0007","8.786","0.0008","23.326","0.002","90","","90","","90","","1680.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl N O8 -","- C14 H20 Cl N O8 -","- C56 H80 Cl4 N4 O32 -","4","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0527","0.0468","","","0.0992","0.102","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505585","8.3733","0.0008","9.3073","0.0009","22.912","0.0002","90","","90","","90","","1785.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl N O8 -","- C14 H20 Cl N O8 -","- C56 H80 Cl4 N4 O32 -","4","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0711","0.0559","","","0.1099","0.1157","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505586","12.532","0.003","21.325","0.004","19.032","0.004","90","","109.06","0.03","90","","4807","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 -","- C27 H30 Cl N O4 -","- C216 H240 Cl8 N8 O32 -","8","4","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.1359","0.1181","","","0.2518","0.2598","","","","","","1.165","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505587","13.4998","0.0002","14.643","0.0002","16.4422","0.0003","90","","90","","90","","3250.25","0.09","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 N O5 -","- C35 H49 N O5 -","- C140 H196 N4 O20 -","4","1","","Pettersson, Martin; Knueppel, Daniel; Martin, Stephen F.","Concise, stereoselective approach to the spirooxindole ring system of citrinadin A.","Organic letters","2007","9","22","4623","4626","10.1021/ol702132v","","","0.71073","MoKα","","0.0667","0.0487","","","0.1127","0.123","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505588","17.558","0.003","5.4049","0.0009","20.711","0.003","90","","92.475","0.003","90","","1963.6","0.5","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O3 -","- C19 H31 N O3 -","- C76 H124 N4 O12 -","4","2","","Howard, Brett E.; Woerpel, K. A.","Synthesis of tertiary alpha-hydroxy acids by silylene transfer to alpha-keto esters.","Organic letters","2007","9","22","4651","4653","10.1021/ol702148x","","","0.71073","MoKα","","0.0945","0.0597","","","0.1453","0.1698","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505589","24.272","0.003","9.5983","0.001","17.1748","0.0018","90","","90","","90","","4001.2","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P n c 2","P 2 -2bc","30","","","","- C22 H23 B2 Cu F8 N5 -","- C22 H23 B2 Cu F8 N5 -","- C132 H138 B12 Cu6 F48 N30 -","6","1.5","","Lebel, Hélène; Lectard, Sylvain; Parmentier, Michaël","Copper-catalyzed alkene aziridination with N-tosyloxycarbamates.","Organic letters","2007","9","23","4797","4800","10.1021/ol702152e","","","1.54178","CuKα","","0.0516","0.0495","","","0.1361","0.1381","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505590","15.13","0.002","14.1193","0.0013","20.129","0.003","90","","98.892","0.013","90","","4248.4","0.9","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 F12 N6 O12 S4 -","- C24 H44 F12 N6 O12 S4 -","- C96 H176 F48 N24 O48 S16 -","4","1","","Medina-Molner, Alfredo; Blacque, Olivier; Spingler, Bernhard","The synthesis of 1,2-bis(1,5,9-triazacyclododecyl)ethane: a showcase for the importance of the linker length within bis(alkylating) reagents.","Organic letters","2007","9","23","4829","4831","10.1021/ol7021627","","","1.54186","CuKα","","0.2178","0.1283","","","0.3067","0.3789","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505591","15.4218","0.0008","12.2877","0.0004","23.2598","0.0011","90","","108.149","0.006","90","","4188.4","0.4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 F6 N3 O6 S2 -","- C14 H23 F6 N3 O6 S2 -","- C112 H184 F48 N24 O48 S16 -","8","2","","Medina-Molner, Alfredo; Blacque, Olivier; Spingler, Bernhard","The synthesis of 1,2-bis(1,5,9-triazacyclododecyl)ethane: a showcase for the importance of the linker length within bis(alkylating) reagents.","Organic letters","2007","9","23","4829","4831","10.1021/ol7021627","","","0.71073","MoKα","","0.0794","0.0612","","","0.1792","0.1917","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505592","10.9082","0.0019","15.094","0.003","15.126","0.003","67.366","0.014","86.69","0.015","70.747","0.014","2163.3","0.8","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H52 F12 N6 O13 S4 -","- C26 H51 F12 N6 O13 S4 -","- C52 H102 F24 N12 O26 S8 -","2","1","","Medina-Molner, Alfredo; Blacque, Olivier; Spingler, Bernhard","The synthesis of 1,2-bis(1,5,9-triazacyclododecyl)ethane: a showcase for the importance of the linker length within bis(alkylating) reagents.","Organic letters","2007","9","23","4829","4831","10.1021/ol7021627","","","1.54186","CuKα","","0.1358","0.092","","","0.2617","0.2896","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505593","5.4217","0.0009","19.233","0.003","10.91","0.0019","90","","96.859","0.003","90","","1129.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C44 H60 N4 O8 S4 -","4","1","","Liang, Fushun; Li, Dazhi; Zhang, Lei; Gao, Jingjie; Liu, Qun","Efficient one-pot synthesis of polyfunctionalized thiophenes via an amine-mediated ring opening of EWG-activated 2-methylene-1,3-dithioles.","Organic letters","2007","9","23","4845","4848","10.1021/ol7021752","","","0.71073","MoKα","","0.1007","0.0848","","","0.2536","0.2741","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505594","7.7587","0.0005","11.5886","0.0007","13.9186","0.0009","106.539","0.003","97.759","0.003","98.19","0.003","1166.94","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Br N2 O4 -","- C28 H23 Br N2 O4 -","- C56 H46 Br2 N4 O8 -","2","1","","Su, Shun; Porco, Jr, John A","1,2-dihydroisoquinolines as templates for cascade reactions to access isoquinoline alkaloid frameworks.","Organic letters","2007","9","24","4983","4986","10.1021/ol702176h","","","0.71073","MoKα","","0.0594","0.0341","","","0.0753","0.0806","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505595","10.4646","0.0003","7.4563","0.0002","13.8704","0.0004","90","","101.473","0.002","90","","1060.64","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O4 -","- C25 H25 N O4 -","- C50 H50 N2 O8 -","2","1","","Su, Shun; Porco, Jr, John A","1,2-dihydroisoquinolines as templates for cascade reactions to access isoquinoline alkaloid frameworks.","Organic letters","2007","9","24","4983","4986","10.1021/ol702176h","","","0.71073","MoKα","","0.0585","0.0398","","","0.104","0.1131","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505596","8.4962","0.0016","9.3365","0.0018","23.868","0.004","90","","90","","90","","1893.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O6 -","- C22 H18 Br N O6 -","- C88 H72 Br4 N4 O24 -","4","1","","Su, Shun; Porco, Jr, John A","1,2-dihydroisoquinolines as templates for cascade reactions to access isoquinoline alkaloid frameworks.","Organic letters","2007","9","24","4983","4986","10.1021/ol702176h","","","0.71073","MoKα","","0.1035","0.0465","","","0.0831","0.0897","","","","","","0.828","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505597","15.5984","0.0003","13.5175","0.0003","6.6823","0.0001","90","","91.9718","0.0014","90","","1408.14","0.05","200","","200","","","","","","","","local","5","C 1 c 1","C -2yc","9","","","","- C15 H17 Cl2 N O -","- C15 H17 Cl2 N O -","- C60 H68 Cl8 N4 O4 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0209","0.0197","","0.0241","0.023","0.023","","","","","","1.0814","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505598","11.1383","0.0002","20.8602","0.0003","12.2758","0.0002","90","","90.0844","0.001","90","","2852.24","0.08","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O -","- C15 H17 Cl2 N O -","- C120 H136 Cl16 N8 O8 -","8","2","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0486","0.0258","","0.0434","0.0308","0.0308","","","","","","1.0862","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505599","8.0935","0.0003","8.065","0.0003","35.0669","0.0015","90","","90","","90","","2288.96","0.16","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0558","0.0321","","0.0474","0.0407","0.0407","","","","","","1.1185","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505600","12.499","0.0002","7.7906","0.0001","13.1409","0.0002","90","","95.0722","0.0011","90","","1274.58","0.03","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0562","0.0341","","0.054","0.0417","0.0417","","","","","","1.1294","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505601","8.8875","0.0002","19.4706","0.0003","9.093","0.0001","90","","92.3248","0.0011","90","","1572.2","0.05","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O2 -","- C19 H16 Cl N O2 -","- C76 H64 Cl4 N4 O8 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0389","0.0273","","0.0401","0.0323","0.0323","","","","","","1.1255","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505602","9.7467","0.0005","16.6619","0.0009","12.1852","0.0007","90","","100.679","0.003","90","","1944.59","0.18","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0851","0.0623","","0.0549","0.0518","0.0518","","","","","","1.1188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505603","10.448","0.0002","12.9271","0.0003","22.4611","0.0005","97.74","0.001","90.629","0.001","109.354","0.001","2831.12","0.11","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H54 Cl2 N8 O17 Zn2 -","- C51 H54 Cl2 N8 O17 Zn2 -","- C102 H108 Cl4 N16 O34 Zn4 -","2","1","","Wang, Huan-Huan; Gan, Quan; Wang, Xiao-Jun; Xue, Lin; Liu, Sheng-Hua; Jiang, Hua","A water-soluble, small molecular fluorescent sensor with femtomolar sensitivity for zinc ion.","Organic letters","2007","9","24","4995","4998","10.1021/ol702192m","","","0.71073","MoKα","","0.1051","0.0615","","","0.1696","0.1964","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505604","8.7696","0.0005","11.2545","0.0006","12.6605","0.0007","111.203","0.004","93.678","0.004","93.657","0.004","1157.48","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N4 O3 -","- C26 H26 N4 O3 -","- C52 H52 N8 O6 -","2","1","","Wang, Huan-Huan; Gan, Quan; Wang, Xiao-Jun; Xue, Lin; Liu, Sheng-Hua; Jiang, Hua","A water-soluble, small molecular fluorescent sensor with femtomolar sensitivity for zinc ion.","Organic letters","2007","9","24","4995","4998","10.1021/ol702192m","","","0.71073","MoKα","","0.1119","0.0559","","","0.1022","0.1191","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505605","9.5921","0.0001","9.5921","0.0001","55.2591","0.0014","90","","90","","90","","5084.3","0.15","123","2","123","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","06222","","","- C27 H36 O5 Si -","- C27 H36 O5 Si -","- C216 H288 O40 Si8 -","8","1","","Figueroa, Ruth; Hsung, Richard P.; Guevarra, Christle C.","An enantioselective total synthesis of (+)-aigialospirol.","Organic letters","2007","9","23","4857","4859","10.1021/ol702195w","","","0.71073","MoKα","","0.0418","0.04","","","0.0951","0.096","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505606","26.3354","0.0007","8.4373","0.0002","17.027","0.0004","90","","110.475","0.0016","90","","3544.37","0.16","200","","200","","","","","","","","?","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Cl2 N2 O4 -","- C17 H19 Cl2 N2 O4 -","- C136 H152 Cl16 N16 O32 -","8","1","","Bradford, Tanya A.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Cross-coupling for cross-conjugation: practical synthesis and Diels-Alder reactions of [3]dendralenes.","Organic letters","2007","9","23","4861","4864","10.1021/ol7021998","","","0.71073","MoKα","","0.0544","0.048","","0.0654","0.0605","0.0605","","","","","","1.0811","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505607","10.381","0.0002","17.5494","0.0004","11.4583","0.0002","90","","108.5","0.0011","90","","1979.61","0.07","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Bradford, Tanya A.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Cross-coupling for cross-conjugation: practical synthesis and Diels-Alder reactions of [3]dendralenes.","Organic letters","2007","9","23","4861","4864","10.1021/ol7021998","","","0.71073","MoKα","","0.059","0.0342","","0.054","0.0411","0.0411","","","","","","1.1404","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505608","11.521","0.0006","13.0999","0.0007","13.39","0.0007","64.202","0.001","65.368","0.001","82.898","0.001","1649.77","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Cl2 N9 O8 Zn -","- C28 H31 Cl2 N9 O8 Zn -","- C56 H62 Cl4 N18 O16 Zn2 -","2","1","","Huang, Sha; Clark, Ronald J.; Zhu, Lei","Highly sensitive fluorescent probes for zinc ion based on triazolyl-containing tetradentate coordination motifs.","Organic letters","2007","9","24","4999","5002","10.1021/ol702208y","","","0.71073","MoKα","","0.0561","0.0526","","","0.1273","0.1292","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505609","12.4808","0.0005","13.1112","0.0006","17.6147","0.0008","90","","97.676","0.001","90","","2856.6","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl2 N7 O9.25 Zn -","- C24 H25 Cl2 N7 O9.175 Zn -","- C96 H100 Cl8 N28 O36.7 Zn4 -","4","1","","Huang, Sha; Clark, Ronald J.; Zhu, Lei","Highly sensitive fluorescent probes for zinc ion based on triazolyl-containing tetradentate coordination motifs.","Organic letters","2007","9","24","4999","5002","10.1021/ol702208y","","","0.71073","MoKα","","0.0439","0.0408","","","0.1","0.1017","","","","","","1.11","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505610","8.894","0.002","8.121","0.0018","13.609","0.003","90","","100.875","0.004","90","","965.3","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Si2 -","- C22 H22 Si2 -","- C44 H44 Si4 -","2","0.5","","Li, Liangchun; Xiang, Junfeng; Xu, Caihong","Synthesis of novel ladder bis-silicon-bridged p-terphenyls.","Organic letters","2007","9","23","4877","4879","10.1021/ol702215m","","","0.71073","MoKα","","0.0442","0.0359","","","0.1004","0.1107","","","","","","1.106","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505611","8.7417","0.0001","9.6098","0.0001","10.645","0.0005","84.719","0.01","79.763","0.01","63.414","0.007","786.88","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 Si2 -","- C42 H30 Si2 -","- C42 H30 Si2 -","1","0.5","","Li, Liangchun; Xiang, Junfeng; Xu, Caihong","Synthesis of novel ladder bis-silicon-bridged p-terphenyls.","Organic letters","2007","9","23","4877","4879","10.1021/ol702215m","","","0.7107","MoKα","","0.048","0.0385","","","0.0956","0.1004","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505612","27.301","0.008","9.969","0.003","18.683","0.005","90","","104.455","0.004","90","","4924","2","100","0.1","100","0.1","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","(S)-MPA thioester of 1-thio-beta-D-glucose tetraacetate","","- C23 H28 O11 S -","- C23 H28 O11 S -","- C184 H224 O88 S8 -","8","2","","Porto, Silvia; Seco, José Manuel; Ortiz, Aurelio; Quiñoá, Emilio; Riguera, Ricardo","Chiral thiols: the assignment of their absolute configuration by 1H NMR.","Organic letters","2007","9","24","5015","5018","10.1021/ol7022196","","x-ray","0.71073","MoKα","","0.0717","0.0512","","","0.1236","0.1342","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505613","21.2572","0.0004","7.53","0.0002","17.5917","0.0005","90","","114.053","0.002","90","","2571.34","0.12","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Br4 N4 -","- C26 H24 Br4 N4 -","- C104 H96 Br16 N16 -","4","0.5","","Kamplain, Justin W.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of differentially substituted dibenzotetraazafulvalenes.","Organic letters","2007","9","26","5401","5404","10.1021/ol702230r","","","0.71073","MoKα","","0.0725","0.0543","","","0.132","0.1431","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505614","36.0899","0.0008","7.7059","0.0002","14.9303","0.0003","90","","108.213","0.001","90","","3944.17","0.16","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Br8 N8 -","- C18 H16 Br4 N4 -","- C144 H128 Br32 N32 -","8","1","","Kamplain, Justin W.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of differentially substituted dibenzotetraazafulvalenes.","Organic letters","2007","9","26","5401","5404","10.1021/ol702230r","","","0.71073","MoKα","","0.0846","0.0597","","","0.0947","0.1018","","","","","","1.243","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505615","11.2612","0.0002","11.6629","0.0003","11.9967","0.0003","80.504","0.002","63.344","0.002","63.165","0.002","1255.12","0.06","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cl4 N4 O -","- C24 H24 Cl4 N4 O -","- C48 H48 Cl8 N8 O2 -","2","1","","Kamplain, Justin W.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of differentially substituted dibenzotetraazafulvalenes.","Organic letters","2007","9","26","5401","5404","10.1021/ol702230r","","","0.71073","MoKα","","0.0534","0.0381","","","0.093","0.1023","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505616","11.545","0.002","11.531","0.002","32.792","0.009","90","","99.89","0.003","90","","4300.6","1.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C176 H224 N32 O32 -","8","1","","Kamplain, Justin W.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of differentially substituted dibenzotetraazafulvalenes.","Organic letters","2007","9","26","5401","5404","10.1021/ol702230r","","","0.71073","MoKα","","0.1669","0.1149","","","0.2108","0.222","","","","","","2.678","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505617","6.8118","0.0001","9.889","0.0002","12.2513","0.0002","91.288","0.001","105.065","0.001","103.457","0.001","772","0.02","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C16 H14 Br2 S2 -","- C16 H14 Br2 S2 -","- C32 H28 Br4 S4 -","2","2","","Tanaka, Ken; Hori, Tomoko; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao","Rhodium-catalyzed reactions of dithiols and 1,4-bis(bromomethyl)benzenes leading to enantioenriched dithiaparacyclophanes.","Organic letters","2007","9","23","4881","4884","10.1021/ol702242x","","","1.54187","CuKα","","0.0446","0.0434","","","0.0991","0.1","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505618","9.2804","0.0008","10.1749","0.0009","17.6738","0.0016","80.247","0.002","77.003","0.002","64.981","0.002","1468.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 Cl N O4 -","- C37 H35 Cl N O4 -","- C74 H70 Cl2 N2 O8 -","2","1","","Imai, Yoshitane; Kido, Shingo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio","A charge-transfer complex of 10,10'-dihydroxy-9,9'-biphenanthryl and methylviologen as a visual inclusion host system.","Organic letters","2007","9","24","5047","5050","10.1021/ol702286r","","","0.71073","MoKα","","0.0979","0.0625","","","0.1299","0.145","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505619","9.3019","0.0006","11.4319","0.0007","15.3935","0.001","87.323","0.001","85.289","0.001","69.64","0.001","1529.18","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H37 Cl N O4 -","- C38 H37 Cl N O4 -","- C76 H74 Cl2 N2 O8 -","2","1","","Imai, Yoshitane; Kido, Shingo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio","A charge-transfer complex of 10,10'-dihydroxy-9,9'-biphenanthryl and methylviologen as a visual inclusion host system.","Organic letters","2007","9","24","5047","5050","10.1021/ol702286r","","","0.71073","MoKα","","0.0661","0.0535","","","0.1355","0.1446","","","","","","1.02","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505620","6.7308","0.0008","10.0398","0.0012","10.0115","0.0012","90","","92.66","0.002","90","","675.81","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","0.5","","Hayashi, Naoto; Yoshikawa, Takahiro; Ohnuma, Takahiro; Higuchi, Hiroyuki; Sako, Katsuya; Uekusa, Hidehiro","Synthesis, structure, and properties of benzoquinone dimer and trimers bearing t-Bu substituents.","Organic letters","2007","9","26","5417","5420","10.1021/ol702289u","","","0.71073","MoKα","","0.0639","0.0493","","","0.1304","0.1387","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505621","10.392","0.002","6.462","0.002","13.048","0.002","90","","94.84","0.02","90","","873.1","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","5,5'-di-tert-butyl-2,2'-bis-p-benzoquinone","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","","Hayashi, Naoto; Yoshikawa, Takahiro; Ohnuma, Takahiro; Higuchi, Hiroyuki; Sako, Katsuya; Uekusa, Hidehiro","Synthesis, structure, and properties of benzoquinone dimer and trimers bearing t-Bu substituents.","Organic letters","2007","9","26","5417","5420","10.1021/ol702289u","","","0.71069","MoKα","","0.0513","0.0448","","","0.1268","0.1411","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505622","5.5601","0.0004","8.3699","0.0006","31.058","0.002","90","","94.512","0.002","90","","1440.88","0.17","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Burns, Michael J.; Fairlamb, Ian J. S.; Kapdi, Anant R.; Sehnal, Petr; Taylor, Richard J. K.","Simple palladium(II) precatalyst for Suzuki-Miyaura couplings: efficient reactions of benzylic, aryl, heteroaryl, and vinyl coupling partners.","Organic letters","2007","9","26","5397","5400","10.1021/ol702291r","","","0.71073","MoKα","","0.0489","0.0411","","","0.107","0.1121","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505623","5.3133","0.0008","8.0571","0.0011","36.533","0.005","90","","90","","90","","1564","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Nasveschuk, Christopher G.; Frein, Jeffrey D.; Jui, Nathan T.; Rovis, Tomislav","A diastereoselective intermolecular heck reaction of 1,3-dioxepins.","Organic letters","2007","9","24","5099","5102","10.1021/ol702294u","","","0.71073","MoKα","","0.2461","0.0861","","","0.1656","0.2244","","","","","","0.937","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505624","23.1988","0.0003","9.9193","0.0001","41.9034","0.0005","90","","90.54","0.001","90","","9642.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl9 N3 -","- C44 H61 Cl8.996 N3 -","- C352 H488 Cl71.968 N24 -","8","1","","Clift, Michael D.; Taylor, Carla N.; Thomson, Regan J.","Oxidative carbon-carbon bond formation via silyl bis-enol ethers: controlled cross-coupling for the synthesis of quaternary centers.","Organic letters","2007","9","22","4667","4669","10.1021/ol702306z","","","0.71073","MoKα","","0.0738","0.0502","","","0.1333","0.1423","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505625","14.615","0.001","22.868","0.002","13.732","0.001","90","","109.329","0.006","90","","4330.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Cl2 N6 O6 -","- C43 H56 Cl2 N6 O6 -","- C172 H224 Cl8 N24 O24 -","4","1","","Yoshimitsu, Takehiko; Matsuda, Kenichi; Nagaoka, Hiroto; Tsukamoto, Koji; Tanaka, Tetsuaki","Radical fixation of functionalized carbon resources: alpha-sp3C-H carbamoylation of tertiary amines with aryl isocyanates.","Organic letters","2007","9","24","5115","5118","10.1021/ol7023295","","","1.54178","CuKα","","0.229","0.0961","","","0.1886","0.2223","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505626","7.9482","0.0001","14.7857","0.0003","15.3689","0.0003","111.074","0.001","102.263","0.001","90.336","0.001","1640.18","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Diethylboranyl-1-methyl-pipecolanilide","","- C17 H27 B N2 O -","- C17 H27 B N2 O -","- C68 H108 B4 N8 O4 -","4","2","","Yoshimitsu, Takehiko; Matsuda, Kenichi; Nagaoka, Hiroto; Tsukamoto, Koji; Tanaka, Tetsuaki","Radical fixation of functionalized carbon resources: alpha-sp3C-H carbamoylation of tertiary amines with aryl isocyanates.","Organic letters","2007","9","24","5115","5118","10.1021/ol7023295","","","1.54187","CuKα","","0.0932","0.0498","","","0.1347","0.1996","","","","","","1.053","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505627","12.1354","0.0003","10.5342","0.0003","29.4482","0.0007","90","","90","","90","","3764.56","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N3 O2 -","- C20 H24 Cl N3 O2 -","- C160 H192 Cl8 N24 O16 -","8","1","","Yoshimitsu, Takehiko; Matsuda, Kenichi; Nagaoka, Hiroto; Tsukamoto, Koji; Tanaka, Tetsuaki","Radical fixation of functionalized carbon resources: alpha-sp3C-H carbamoylation of tertiary amines with aryl isocyanates.","Organic letters","2007","9","24","5115","5118","10.1021/ol7023295","","","1.54187","CuKα","","0.1157","0.0501","","","0.1027","0.1163","","","","","","0.92","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505628","15.6298","0.0002","7.5395","0.0001","26.9183","0.0004","90","","105.851","0.001","90","","3051.46","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C144 H128 N16 O40 -","8","1","","Vacas, Tatiana; Alvarez, Eleuterio; Chiara, Jose Luis","Phthalimides as exceptionally efficient single electron transfer acceptors in reductive coupling reactions promoted by samarium diiodide.","Organic letters","2007","9","26","5445","5448","10.1021/ol7023357","","","0.71073","MoKα","","0.0413","0.0382","","","0.1027","0.1056","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505629","9.5421","0.0007","11.3451","0.0008","15.2978","0.0011","80.669","0.002","82.832","0.002","87.598","0.002","1621","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","2","","Vacas, Tatiana; Alvarez, Eleuterio; Chiara, Jose Luis","Phthalimides as exceptionally efficient single electron transfer acceptors in reductive coupling reactions promoted by samarium diiodide.","Organic letters","2007","9","26","5445","5448","10.1021/ol7023357","","","0.71073","MoKα","","0.0717","0.0441","","","0.095","0.1069","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505630","7.3633","0.0003","15.3041","0.0006","14.7261","0.0006","90","","99.448","0.002","90","","1636.95","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Vacas, Tatiana; Alvarez, Eleuterio; Chiara, Jose Luis","Phthalimides as exceptionally efficient single electron transfer acceptors in reductive coupling reactions promoted by samarium diiodide.","Organic letters","2007","9","26","5445","5448","10.1021/ol7023357","","","0.71073","MoKα","","0.0743","0.0467","","","0.1085","0.1276","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505631","14.023","0.003","13.658","0.003","17.593","0.005","90","","113.469","0.003","90","","3090.8","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C144 H152 N24 O16 -","8","2","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.0754","0.0698","","","0.192","0.1995","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505632","18.61","0.004","7.6918","0.0018","20.026","0.005","90","","90","","90","","2866.6","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.0934","0.0703","","","0.1717","0.1874","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505633","24.724","0.004","9.0148","0.0014","17.464","0.003","90","","129.305","0.002","90","","3011.9","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.0608","0.0541","","","0.1521","0.1602","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505634","8.5329","0.0017","10.238","0.002","18.578","0.004","90","","102.188","0.003","90","","1586.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.0717","0.0615","","","0.1624","0.1716","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505635","8.479","0.019","22.03","0.05","8.403","0.019","90","","116.06","0.04","90","","1410","6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.1028","0.0924","","","0.225","0.2365","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505636","6.5983","0.0013","9.3785","0.0019","13.16","0.003","75.32","0.03","83.75","0.03","73.23","0.03","753.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H22 O3 Si -","- C15 H22 O3 Si -","- C30 H44 O6 Si2 -","2","1","","Li, Dongzhen; Liu, Guangzhen; Hu, Qiaoshu; Wang, Chao; Xi, Zhenfeng","Lewis Acid promoted tandem intermolecular Diels-Alder/intramolecular allylation reactions of silyl-substituted 1,3-butadienes leading to multisubstituted 7-norbornenones and related polycyclic compounds.","Organic letters","2007","9","26","5433","5436","10.1021/ol702379s","","","0.71073","MoKα","","0.0793","0.0506","","","0.1231","0.1319","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505637","6.5493","0.0013","11.954","0.002","14.124","0.003","102.24","0.03","93.57","0.03","102.03","0.03","1050.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H32 O3 Si -","- C19 H32 O3 Si -","- C38 H64 O6 Si2 -","2","1","","Li, Dongzhen; Liu, Guangzhen; Hu, Qiaoshu; Wang, Chao; Xi, Zhenfeng","Lewis Acid promoted tandem intermolecular Diels-Alder/intramolecular allylation reactions of silyl-substituted 1,3-butadienes leading to multisubstituted 7-norbornenones and related polycyclic compounds.","Organic letters","2007","9","26","5433","5436","10.1021/ol702379s","","","0.71073","MoKα","","0.0984","0.0503","","","0.1177","0.126","","","","","","1.108","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505638","8.0468","0.0012","8.2968","0.0013","15.361","0.002","90","","93.584","0.002","90","","1023.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 B N O3 -","- C9 H14 B N O3 -","- C36 H56 B4 N4 O12 -","4","1","","Marwitz, Adam J. V.; Abbey, Eric R.; Jenkins, Jesse T.; Zakharov, Lev N.; Liu, Shih-Yuan","Diversity through isosterism: the case of boron-substituted 1,2-dihydro-1,2-azaborines.","Organic letters","2007","9","23","4905","4908","10.1021/ol702383u","","","0.71073","MoKα","","0.0445","0.0376","","","0.1046","0.1125","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505639","12.1477","0.001","15.0735","0.0008","17.2611","0.0015","113.643","0.007","100.049","0.007","101.645","0.006","2718.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H56 Cl3 D N4 O10 -","- C59 H56 Cl3 D N4 O10 -","- C118 H112 Cl6 D2 N8 O20 -","2","1","","Singh, Rekha; Ghosh, Sunil K.","Regioselective tandem dimethylsulfonium methylide addition-eliminative olefination of diendioates: a novel route to 1,3-butadien-2-ylmalonates.","Organic letters","2007","9","24","5071","5074","10.1021/ol702384s","","","0.71073","MoKα","","0.0801","0.0578","","","0.1565","0.1703","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505640","10.4452","0.0009","26.656","0.002","26.723","0.002","90","","95.279","0.001","90","","7408.9","1","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44.5 H40.5 Cl1.5 P2 -","- C44.5 H40.5 Cl1.5 P2 -","- C356 H324 Cl12 P16 -","8","2","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Rhodium-catalyzed double [2 + 2 + 2] cycloaddition of 1,4-bis(diphenylphosphinoyl)buta-1,3-diyne with tethered diynes: a modular, highly versatile single-pot synthesis of NU-BIPHEP biaryl diphosphines.","Organic letters","2007","9","23","4925","4928","10.1021/ol702390p","","","0.71073","MoKα","","0.0424","0.0357","","","0.0897","0.0943","","","","","","1.025","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505641","11.8411","0.0012","14.8589","0.0015","16.1237","0.0016","105.211","0.002","98.298","0.002","107.125","0.002","2539.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cl10 P2 Pt -","- C44 H40 Cl2 P2 Pt -","- C88 H80 Cl4 P4 Pt2 -","2","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Rhodium-catalyzed double [2 + 2 + 2] cycloaddition of 1,4-bis(diphenylphosphinoyl)buta-1,3-diyne with tethered diynes: a modular, highly versatile single-pot synthesis of NU-BIPHEP biaryl diphosphines.","Organic letters","2007","9","23","4925","4928","10.1021/ol702390p","","","0.71073","MoKα","","0.038","0.0333","","","0.0868","0.0889","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505642","6.8425","0.0009","15.5174","0.0019","26.14","0.003","90","","90","","90","","2775.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 F2 N3 O12 -","- C28 H19 F2 N3 O12 -","- C112 H76 F8 N12 O48 -","4","1","","Yang, Yan-Yan; Xu, Jun; You, Zheng-Wei; Xu, Xiu-Hua; Qiu, Xiao-Long; Qing, Feng-Ling","Synthesis of 3',3'-difluoro-2'- hydroxymethyl-4',5'-unsaturated carbocyclic nucleosides.","Organic letters","2007","9","26","5437","5440","10.1021/ol7023955","","","0.71073","MoKα","","0.1057","0.0604","","","0.1261","0.1461","","","","","","0.957","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505643","7.7456","0.0005","7.7456","0.0005","34.484","0.003","90","","90","","120","","1791.7","0.2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C11 H12 F2 N2 O3 -","- C11 H12 F2 N2 O3 -","- C66 H72 F12 N12 O18 -","6","1","","Yang, Yan-Yan; Xu, Jun; You, Zheng-Wei; Xu, Xiu-Hua; Qiu, Xiao-Long; Qing, Feng-Ling","Synthesis of 3',3'-difluoro-2'- hydroxymethyl-4',5'-unsaturated carbocyclic nucleosides.","Organic letters","2007","9","26","5437","5440","10.1021/ol7023955","","","0.71073","MoKα","","0.0533","0.0504","","","0.1346","0.1373","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505644","10.3199","0.0002","6.1986","0.0001","18.0875","0.0004","90","","105.511","0.001","90","","1114.9","0.04","90","1","90","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Fuller, Peter H.; Chemler, Sherry R.","Copper(II) carboxylate-promoted intramolecular carboamination of alkenes for the synthesis of polycyclic lactams.","Organic letters","2007","9","26","5477","5480","10.1021/ol702401w","","x-ray","0.71073","MoKα","","0.0756","0.0704","","","0.134","0.1361","","","","","","1.172","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505645","18.9835","0.0005","9.6994","0.0003","15.3657","0.0004","90","","113.592","0.001","90","","2592.79","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N2 S14 -","- C48 H58 N2 S14 -","- C96 H116 N4 S28 -","2","0.5","","Poulsen, Thomas; Nielsen, Kent A.; Bond, Andrew D.; Jeppesen, Jan O.","Bis(tetrathiafulvalene)-calix[2]pyrrole[2]- thiophene and its complexation with TCNQ.","Organic letters","2007","9","26","5485","5488","10.1021/ol7024235","","","0.7107","MoKα","","0.0491","0.0299","","","0.0615","0.0663","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505646","17.2","0.001","13.359","0.001","35.987","0.003","90","","103.334","0.006","90","","8046","1","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H68 Cl2 N10 S14 -","- C73 H68 Cl2 N10 S14 -","- C292 H272 Cl8 N40 S56 -","4","1","","Poulsen, Thomas; Nielsen, Kent A.; Bond, Andrew D.; Jeppesen, Jan O.","Bis(tetrathiafulvalene)-calix[2]pyrrole[2]- thiophene and its complexation with TCNQ.","Organic letters","2007","9","26","5485","5488","10.1021/ol7024235","","","0.897","synchrotron","","0.237","0.1892","","","0.4383","0.449","","","","","","2.389","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505647","15.0927","0.0008","31.3789","0.0016","15.938","0.0009","90","","108.825","0.002","90","","7144.4","0.7","100","","100","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H18 N2 O2 Si -","- C13 H18 N2 O2 Si -","- C260 H360 N40 O40 Si20 -","20","5","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Total syntheses of tambjamines C, E, F, G, H, I and J, BE-18591, and a related alkaloid from the marine bacterium Pseudoalteromonas tunicata.","Organic letters","2007","9","24","5127","5130","10.1021/ol7024313","","","0.71073","MoKα","","0.0633","0.0456","","0.0563","0.0441","0.0441","","","","","","1.1516","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505648","7.2483","0.0004","5.7003","0.0003","10.8181","0.0006","90","","94.877","0.003","90","","445.36","0.04","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","2007ms02jh02d","(S)-3-amino-1,1,1-trifluoro-2-phenyl-propan-2-ol","","- C9 H10 F3 N O -","- C9 H10 F3 N O -","- C18 H20 F6 N2 O2 -","2","1","","Tur, Fernando; Saá, José M","Direct, catalytic enantioselective nitroaldol (Henry) reaction of trifluoromethyl ketones: an asymmetric entry to alpha-trifluoromethyl-substituted quaternary carbons.","Organic letters","2007","9","24","5079","5082","10.1021/ol702434t","","x-ray","1.54178","CuKα","","0.045","0.044","","","0.1221","0.1236","","","","","","1.131","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505649","5.3752","0.0004","8.487","0.0006","21.9878","0.0016","90","","90","","90","","1003.07","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N O S -","- C10 H12 N O S -","- C40 H48 N4 O4 S4 -","4","1","","Harmata, Michael; Zheng, Pinguan","A stereospecific synthesis of chiral cyclic sulfinamides.","Organic letters","2007","9","25","5251","5253","10.1021/ol7024394","","","0.71073","MoKα","","0.031","0.0303","","","0.0837","0.0843","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505650","6.9809","0.0013","9.8145","0.0018","29.979","0.005","90","","90","","90","","2054","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O2 S -","- C21 H31 N O2 S -","- C84 H124 N4 O8 S4 -","4","1","","Harmata, Michael; Zheng, Pinguan","A stereospecific synthesis of chiral cyclic sulfinamides.","Organic letters","2007","9","25","5251","5253","10.1021/ol7024394","","","0.71073","MoKα","","0.0835","0.0549","","","0.1081","0.1193","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505651","17.933","0.004","5.5887","0.0011","18.881","0.004","90","","109.225","0.003","90","","1786.8","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O4 -","- C25 H18 O4 -","- C100 H72 O16 -","4","1","","Wu, Kun-Liang; Wilkinson, Stephanie; Reich, Norbert O.; Pettus, Thomas R. R.","Facile synthesis of naphthoquinone spiroketals by diastereoselective oxidative [3 + 2] cycloaddition.","Organic letters","2007","9","26","5537","5540","10.1021/ol702450d","","","0.71073","MoKα","","0.3154","0.1115","","","0.2074","0.2734","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505652","6.2538","0.0009","29.083","0.003","9.86","0.001","90","","107.277","0.006","90","","1712.4","0.4","193.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H18 F3 N O3 S2 -","- C14 H18 F3 N O3 S2 -","- C56 H72 F12 N4 O12 S8 -","4","1","","Murai, Toshiaki; Fukushima, Kozue; Mutoh, Yuichiro","Synthesis and properties of 1-methylthiopropargylammonium salts and their use as key precursors to sulfur-containing enediynes.","Organic letters","2007","9","25","5295","5298","10.1021/ol7024923","","","0.7107","MoKα","","","0.0345","","","","0.0869","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505653","8.861","0.003","9.632","0.004","11.954","0.005","83.02","0.01","79.53","0.01","71.495","0.009","949.2","0.6","253.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 S2 Si2 -","- C44 H36 S2 Si2 -","- C44 H36 S2 Si2 -","1","0.5","","Murai, Toshiaki; Fukushima, Kozue; Mutoh, Yuichiro","Synthesis and properties of 1-methylthiopropargylammonium salts and their use as key precursors to sulfur-containing enediynes.","Organic letters","2007","9","25","5295","5298","10.1021/ol7024923","","","0.7107","MoKα","","","0.0534","","","","0.1725","","","","","","1.154","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505654","8.9486","0.0017","13.132","0.003","12.841","0.003","90","","109.123","0.003","90","","1425.7","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya","Redox-induced conformational alteration of n,n-diarylamides.","Organic letters","2007","9","26","5545","5547","10.1021/ol702504x","","","0.71073","MoKα","","0.0771","0.0417","","","0.1042","0.1231","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505655","6.3427","0.0001","11.2959","0.0002","16.3905","0.0004","90","","90","","90","","1174.32","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya","Redox-induced conformational alteration of n,n-diarylamides.","Organic letters","2007","9","26","5545","5547","10.1021/ol702504x","","","0.71073","MoKα","","0.0593","0.0457","","","0.1279","0.1418","","","","","","0.953","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505656","11.58","0.01","15.72","0.03","6.701","0.007","90","","90","","90","","1220","3","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya","Redox-induced conformational alteration of n,n-diarylamides.","Organic letters","2007","9","26","5545","5547","10.1021/ol702504x","","","0.7107","MoKα","","","0.0589","","","","0.1601","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505657","11.775","0.002","14.08","0.003","14.801","0.003","117.56","0.03","109.34","0.03","92.84","0.03","1991.5","1.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H52 F6 N O9 P -","- C37 H52 F6 N O9 P -","- C74 H104 F12 N2 O18 P2 -","2","1","","Zhang, Chuanju; Li, Shijun; Zhang, Jinqiang; Zhu, Kelong; Li, Ning; Huang, Feihe","Benzo-21-crown-7/secondary dialkylammonium salt [2]pseudorotaxane- and [2]rotaxane-type threaded structures.","Organic letters","2007","9","26","5553","5556","10.1021/ol702510c","","","0.71073","MoKα","","0.1048","0.0922","","","0.2734","0.2866","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505658","11.978","0.014","14.62","0.03","14.881","0.018","90","","90","","90","","2606","7","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Fe N3 P -","- C32 H28 Fe N3 P -","- C128 H112 Fe4 N12 P4 -","4","1","","Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi","ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.","Organic letters","2007","9","26","5557","5560","10.1021/ol702519f","","","0.7107","MoKα","","","0.0544","","","","0.0545","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505659","10.135","0.018","10.972","0.011","23.73","0.02","90","","90","","90","","2639","6","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Fe N3 P -","- C32 H28 Fe N3 P -","- C128 H112 Fe4 N12 P4 -","4","1","","Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi","ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.","Organic letters","2007","9","26","5557","5560","10.1021/ol702519f","","","0.7107","MoKα","","","0.0402","","","","0.0712","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505660","13.618","0.017","10.383","0.011","13.95","0.02","90","","116.34","0.04","90","","1768","4","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H37 Fe N3 P2 -","- C44 H37 Fe N3 P2 -","- C88 H74 Fe2 N6 P4 -","2","1","","Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi","ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.","Organic letters","2007","9","26","5557","5560","10.1021/ol702519f","","","0.7107","MoKα","","","0.0326","","","","0.0345","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505661","5.881","0.0009","9.0184","0.0015","36.938","0.009","90","","90","","90","","1959.1","0.7","103.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 Cl N -","- C27 H18 Cl N -","- C108 H72 Cl4 N4 -","4","1","","Matsuzawa, Hiroshi; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Remarkable effect of N-substituent on enantioselective ruthenium-catalyzed propargylation of indoles with propargylic alcohols.","Organic letters","2007","9","26","5561","5564","10.1021/ol7025203","","","0.7107","MoKα","","","0.0503","","","","0.0892","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505662","13.1833","0.0012","6.6134","0.0006","13.7973","0.0012","90","","109.32","0.01","90","","1135.19","0.19","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-2,4-Dinitrophenyl 3-(tert-butyldimethylsilyloxy|)-2-methoxy-4 -methylpent-4-enamide","","- C19 H29 N3 O7 Si -","- C19 H29 N3 O7 Si -","- C38 H58 N6 O14 Si2 -","2","1","","Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew","A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin.","Organic letters","2007","9","26","5565","5568","10.1021/ol7025262","","","0.71073","MoKα","","0.0425","0.0369","","","0.0945","0.0979","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505663","10.726","0.001","8.1169","0.0005","11.027","0.001","90","","115.27","0.01","90","","868.16","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","ozonide","[(1R,4S,5R,6R)-5-(tert-Butyl-dimethyl-silanyloxy)-6- methoxy-4-methyl-2,3,7-trioxa-bicyclo[2.2.1]hept-1-yl]- acetonitrile","","- C14 H25 N O5 Si -","- C14 H25 N O5 Si -","- C28 H50 N2 O10 Si2 -","2","1","","Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew","A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin.","Organic letters","2007","9","26","5565","5568","10.1021/ol7025262","","","0.71073","MoKα","","0.0281","0.0271","","","0.0728","0.0738","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505664","9.3539","0.0011","8.0181","0.0009","31.277","0.004","90","","97.27","0.002","90","","2326.9","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 O6 S -","- C27 H24 O6 S -","- C108 H96 O24 S4 -","4","2","","Lu, Ping; Ma, Shengming","Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.","Organic letters","2007","9","25","5319","5321","10.1021/ol702557s","","","0.71073","MoKα","","0.1305","0.0578","","","0.1198","0.1621","","","","","","0.775","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505665","13.4994","0.0015","21.855","0.002","8.6424","0.001","90","","91.605","0.002","90","","2548.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 S2 -","- C30 H28 O4 S2 -","- C120 H112 O16 S8 -","4","1","","Lu, Ping; Ma, Shengming","Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.","Organic letters","2007","9","25","5319","5321","10.1021/ol702557s","","","0.71073","MoKα","","0.0844","0.0557","","","0.1269","0.1379","","","","","","0.919","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505666","16.4936","0.0014","9.15","0.0008","23.709","0.002","90","","109.587","0.002","90","","3371","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 N O6 S2 -","- C40 H35 N O6 S2 -","- C160 H140 N4 O24 S8 -","4","1","","Lu, Ping; Ma, Shengming","Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.","Organic letters","2007","9","25","5319","5321","10.1021/ol702557s","","","0.71073","MoKα","","0.0754","0.0529","","","0.119","0.1276","","","","","","0.954","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505667","14.74","0.01","16.07","0.01","16.6","0.01","80.43","0.03","73.17","0.03","71.15","0.02","3550","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H41 Cl O10 S2 -","- C36.5 H41 Cl O10 S2 -","- C146 H164 Cl4 O40 S8 -","4","2","","Lu, Ping; Ma, Shengming","Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.","Organic letters","2007","9","25","5319","5321","10.1021/ol702557s","","","0.71073","MoKα","","0.1107","0.0688","","","0.1791","0.2031","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1506789","8.879","0.001","9.416","0.001","22.361","0.002","90","","95.98","0.007","90","","1859.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tazarotene","6-(2-(4,4-dimethyl-thiochroman-6yl)ethynyl)-nicotinic acid ethyl ester","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Frigoli, Samuele; Fuganti, Claudio; Malpezzi, Luciana; Serra, Stefano","A Practical and Efficient Process for the Preparation of Tazarotene","Organic Process Research & Development","2005","9","5","646","","10.1021/op050080x","","","1.54179","CuKα","","0.0644","0.0592","","","0.1585","0.1648","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506790","10.066","0.002","28.719","0.005","4.831","0.001","90","","103.45","0.01","90","","1358.3","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine dihydrate","5H-dibenz(b,f)azepine-5-carboxamide, dihydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Harris, Robin K.; Ghi, Phuong Y.; Puschmann, Horst; Apperley, David C.; Griesser, Ulrich J.; Hammond, Robert B.; Ma, Caiyun; Roberts, Kevin J.; Pearce, Greg J.; Yates, Jonathan R.; Pickard, Chris J.","Structural Studies of the Polymorphs of Carbamazepine, Its Dihydrate, and Two Solvates","Organic Process Research & Development","2005","9","6","902","","10.1021/op0500990","","","0.71073","MoKα","","0.0916","0.0729","","","0.1926","0.214","","","","","","0.85","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1508995","2.8231","","2.8231","","4.4407","","90","","90","","120","","30.65","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Silver zinc (0.5/1.5)","","- Ag0.5 Zn1.5 -","- Ag0.5 Zn1.5 -","- Ag0.5 Zn1.5 -","1","0.0416667","","Wilcox, R.J.M.; Henderson, B.","Lattice spacing ralationships in hexagonal close-packed silver-zinc-manganese alloys","Philosophical Magazine, Serie 8(1956-)","1964","9","","829","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509090","2.7944","","2.7944","","4.4453","","90","","90","","120","","30.061","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Silver manganese zinc (0.3/0.2/1.5)","","- Ag0.3 Mn0.2 Zn1.5 -","- Ag0.3 Mn0.2 Zn1.5 -","- Ag0.3 Mn0.2 Zn1.5 -","1","0.0416667","","Henderson, B.; Willcox, R.J.M.","Lattice spacing relationships in hexagonal close-packed silver-zinc-manganese alloys","Philosophical Magazine, Serie 6 (1901-1925)","1964","9","","829","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509245","4.24","","4.24","","20.67","","90","","90","","120","","321.812","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag Bi Te2 -","- Ag Bi Te2 -","- Ag3 Bi3 Te6 -","3","0.0833333","","Imamov, R.M.; Pinsker, Z.G.","Electron diffraction study of the compound Ag Bi Te2","Kristallografiya","1964","9","","347","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509260","14.007","0.008","14.007","0.008","18.333","0.008","90","","90","","120","","3115","3","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Oxonium fac-tris(N,N'-dimethyl-violurato-N,O)-ruthenium(ii) hexahydrate","","- C18 H33 N9 O19 Ru -","- C18 H18 N9 O19 Ru -","- C72 H72 N36 O76 Ru4 -","4","0.333333","","M. Angustias Romero; Juan M. Salas; Michel Simard; Miguel Quirós; André L. Beauchamp","Platinum Group Metal - Ketoxime Complexes: Crystal Structure of Hydrogen fac-Tris(dimethylviolurato)ruthenate(II) Heptahydrate","Polyhedron","1990","9","","2733","2739","10.1016/S0277-5387(00)86804-7","","","","","","","0.036","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509350","5.67","","5.67","","5.67","","90","","90","","90","","182.284","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ag Ga Se2 -","- Ag Ga Se2 -","- Ag2 Ga2 Se4 -","2","0.0208333","","Kasper, H.M.; Jayaraman, A.; Dernier, P.D.; Maines, R.G.","Pressure-induced phase transformations in som I-II-IV2 semiconductors","High Temperatures-High Pressures","1977","9","","97","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509355","5.693","","5.693","","5.693","","90","","90","","90","","184.512","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ag Ga Te2 -","- Ag Ga Te2 -","- Ag2 Ga2 Te4 -","2","0.0208333","","Kasper, H.M.; Maines, R.G.; Jayaraman, A.; Dernier, P.D.","Pressure-induced phase transformations in some I-II-IV2 semiconductors","High Temperatures-High Pressures","1977","9","","97","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509406","5.6","","5.6","","5.6","","90","","90","","90","","175.616","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag In Se2 -","- Ag In Se2 -","- Ag4 In4 Se8 -","4","0.0208333","","Kasper, H.M.; Jayaraman, A.; Dernier, P.D.; Maines, R.G.","Pressure induced phase transformations in some I-III-IV2 semiconductors","High Temperatures-High Pressures","1977","9","","97","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509410","5.96","","5.96","","5.96","","90","","90","","90","","211.709","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag In Te2 -","- Ag In Te2 -","- Ag2 In2 Te4 -","2","0.0104167","","Maines, R.G.; Jayaraman, A.; Dernier, P.D.; Kasper, H.M.","Pressure-induced phase transformations in some I-III-IV2 semiconductors","High Temperatures-High Pressures","1977","9","","97","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509535","6.03","","6.03","","6.03","","90","","90","","90","","219.256","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag2 Sb2 Te4 -","2","0.0104167","","Imamov, R.M.; Pinsker, Z.G.","Electron diffraction study of the compound AgSbTe2","Soviet Physics, Crystallography (= Kristallografiya)","1964","9","","465","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509558","3.92","","3.92","","15.22","","90","","90","","90","","233.877","","","","","","","","","","","","","3","I -4 m 2","I -4 -2","119","","Ag Tl Te2","","- Ag Te2 Tl -","- Ag Te2 Tl -","- Ag2 Te4 Tl2 -","2","0.125","","Pinsker, Z.G.; Imamov, R.M.","Electron diffraction study of the semiconducting compound Ag Tl Te2","Kristallografiya","1964","9","","743","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509572","9.404","","9.404","","9.404","","90","","90","","90","","831.645","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Ag Sb O3","","- Ag1.02667 O3 Sb -","- Ag1.02667 O3 Sb -","- Ag12.32 O36 Sb12 -","12","0.25","","Hong, H.Y.-P.; Kafalas, J.A.; Goodenough, J.B.","Crystal Chemistry in the System M Sb O3","Journal of Solid State Chemistry","1974","9","","345","351","10.1016/0022-4596(74)90093-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509617","12.3","","12.3","","12.3","","90","","90","","90","","1860.87","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag10 Tl2 (Al12 Si12 O48)","","- Ag10 Al12 O48 Si12 Tl2 -","- Ag10.001 Al12 O48 Si12 Tl2.0004 -","- Ag10.001 Al12 O48 Si12 Tl2.0004 -","1","0.0208333","","Kim Yang; Kim Duk-Soo; Song Seong-Hwan","Four crystal structures of dehydrated Ag+ and Tl+ Exchanged Zeolite A, Ag(12-x) Tl(x) - A, x=2, 3, 4, and 5","Bulletin of the Korean Chemical Society","1988","9","","303","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509621","12.287","","12.287","","12.287","","90","","90","","90","","1854.97","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag10.7 K1.3 (Al12 Si12 O48)","","- Ag10.7 Al12 K1.3 O48 Si12 -","- Ag10.6994 Al12 K1.2996 O48 Si12 -","- Ag10.6994 Al12 K1.2996 O48 Si12 -","1","0.0208333","","Song, S.H.; Kim, Y.; Kim, U.S.; Park, J.Y.","Two crystal structures of dehydrated Ag+ and K+ exchanged zeolite A, Ag(12-x) Kx - A, x= 1.3 and 2.7","Bulletin of the Korean Chemical Society","1988","9","","338","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509632","14.838","","14.838","","14.838","","90","","90","","90","","3266.83","","","","","","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Ag15 (P S4)4 Cl3","","- Ag15 Cl3 P4 S16 -","- Ag15 Cl3 P4 S16 -","- Ag60 Cl12 P16 S64 -","4","0.0833333","","Mewis, A.; Joergens, S.","Ag5 P S4 Cl2 and Ag15 (P S4)4 Cl3 - crystal structures and their relation to Ag3 P S4","Solid State Sciences","2007","9","","213","217","10.1016/j.solidstatesciences.2006.09.003","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509917","7.409","","11.143","","6.258","","90","","90","","90","","516.651","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Ag5 (P S4) Cl2","","- Ag5 Cl2 P S4 -","- Ag5 Cl2 P S4 -","- Ag10 Cl4 P2 S8 -","2","0.25","","Mewis, A.; Joergens, S.","Ag5 P S4 Cl2 and Ag15 (P S4)4 Cl3 - crystal structures and their relation to Ag3 P S4","Solid State Sciences","2007","9","","213","217","10.1016/j.solidstatesciences.2006.09.003","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509976","12.281","","12.281","","12.281","","90","","90","","90","","1852.26","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag8 Tl4 (Al12 Si12 O48)","","- Ag8 Al12 O48 Si12 Tl4 -","- Ag8.0002 Al12 O48 Si12 Tl4 -","- Ag8.0002 Al12 O48 Si12 Tl4 -","1","0.0208333","","Kim Yang; Kim Duk-Soo; Song Seong-Hwan","Four crystal structures of dehydrated Ag+ and Tl+ Exchanged Zeolite A, Ag(12-x) Tl(x) - A, x=2, 3, 4, and 5","Bulletin of the Korean Chemical Society","1988","9","","303","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510028","7.647","","6.858","","6.506","","90","","90","","90","","341.195","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ag3 P S4 -","- Ag3 P S4 -","- Ag6 P2 S8 -","2","0.5","","Joergens, S.; Mewis, A.","Ag5 P S4 Cl2 and Ag15 (P S4)4 Cl3 - crystal structures and their relation to Ag3 P S4","Solid State Sciences","2007","9","","213","217","10.1016/j.solidstatesciences.2006.09.003","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510164","4.462","","4.462","","8.1605","","90","","90","","120","","140.704","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","La Au Ge","","- Au Ge La -","- Au Ge La -","- Au2 Ge2 La2 -","2","0.166667","","Kremer, K.; Jepsen, O.; Schnelle, W.; Gmelin, E.; Poettgen, R.","Crystal structure, magnetic susceptibility, electrical resistivity, specific heat and electronic band structure of R Au Ge (R= Sc, Y, La, Lu)","Journal of Physics: Condensed Matter","1997","9","","1435","1450","10.1088/0953-8984/9/7/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510171","4.41","","4.41","","7.3086","","90","","90","","120","","123.095","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Y Au Ge","","- Au Ge Y -","- Au Ge Y -","- Au2 Ge2 Y2 -","2","0.166667","","Kremer, R.K.; Gmelin, E.; Schnelle, W.; Jepsen, O.; Poettgen, R.","Crystal structure, magnetic susceptibility, electrical resistivity, specific heat and electronic band structure of R Au Ge (R= Sc, Y, La, Lu)","Journal of Physics: Condensed Matter","1997","9","","1435","1450","10.1088/0953-8984/9/7/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510485","4.111","","4.111","","4.133","","90","","90","","90","","69.849","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Au3 Cd -","- Au3 Cd -","- Au3 Cd -","1","0.0625","","Hirabayashi, M.; Ogawa, S.","Crystal structures and phase transitions of the gold-rich gold cadmium alloy","Acta Metallurgica","1961","9","","264","274","10.1016/0001-6160(61)90219-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510858","6.068","","6.068","","11.1353","","90","","90","","90","","410.009","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Mo5 (Si0.89 B0.11) B2","","- B2.11 Mo5 Si0.89 -","- B2.11 Mo5 Si0.89 -","- B8.44 Mo20 Si3.56 -","4","0.125","","Hubbard, C.R.; Rawn, C.J.; Hoffmann, C.M.; Schneibel, J.H.","The crystal structure and thermal expansion of Mo5 Si B2","Intermetallics","2001","9","","209","216","10.1016/S0966-9795(00)00113-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510897","3.04","","17.55","","2.98","","90","","90","","90","","158.989","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Co V B3","","- B3 Co V -","- B3 Co V -","- B12 Co4 V4 -","4","0.25","","Starodub, P.K.; Kuz'ma, Yu.B.","The systems V-Fe-B, V-Co-B, and V-Ni-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","337","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511054","5.767","","3.251","","6.649","","90","","90","","90","","124.659","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mo Co B","","- B Co Mo -","- B Co Mo -","- B4 Co4 Mo4 -","4","0.5","","Kripyakevich, P.I.; Chepiga, M.V.; Kuz'ma, Yu.B.","Crystal structures of the compounds Mo Co B, W Co B and W Fe B","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1968","9","","327","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511055","5.648","","3.221","","6.554","","90","","90","","90","","119.232","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Re Co B","","- B Co Re -","- B Co Re -","- B4 Co4 Re4 -","4","0.5","","Kuz'ma, Yu.B.; Chepiga, M.V.","The system rhenium - cobalt - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","1688","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511059","8.863","","8.863","","4.441","","90","","90","","90","","348.853","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Re1.44 Co1.56 B","","- B Co1.56 Re1.44 -","- B Co1.56 Re1.44 -","- B8 Co12.48 Re11.52 -","8","1","","Kuz'ma, Yu.B.; Chepiga, M.V.","The system rhenium - cobalt - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","1688","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511426","8.223","","8.223","","4.16","","90","","90","","120","","243.604","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Li6 B18 (Li2 O)0.70","","- B18 Li7.4 O0.7 -","- B18 Li7.276 O0.699 -","- B18 Li7.276 O0.699 -","1","0.0416667","","Woerle, M.; von Schnering, H.G.; Nesper, R.; Mair, G.","Li6 B18 (Li2 O)(x) - a boride with a porous framework of B6 octahedra","Solid State Sciences","2007","9","","459","464","10.1016/j.solidstatesciences.2007.03.029","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511488","6.016","","11.65","","3.598","","90","","90","","90","","252.171","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Y Mo B4","","- B4 Mo Y -","- B4 Mo Y -","- B16 Mo4 Y4 -","4","0.5","","Kuz'ma, Yu.B.; Sobolev, A.S.; Svarichevskaya, S.I.","The system yttrium - molybdenum - boron and yttrium tungsten - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","1697","1702","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511550","7.838","","12.288","","18.18","","90","","90","","90","","1750.98","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 Mg (B5 O10)","","- B5 Mg Na3 O10 -","- B5 Mg Na3 O10 -","- B40 Mg8 Na24 O80 -","8","1","","Xiao Weiqiang; Zang Hegui; Li Ming; Chang Xinan; Zuo Jianlong; Chen Xuean","Syntheses and crystal structures of two pentaborates, Na3 Ca B5 O10 and Na3 Mg B5 O10","Solid State Sciences","2007","9","","678","685","10.1016/j.solidstatesciences.2007.05.013","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511560","12.1508","","12.1508","","6.8618","","90","","90","","90","","1013.09","","","","","","","","","","","","","5","P 42 n m","P 4n -2n","102","","Ba2 Ga B4 O9 Cl","","- B4 Ba2 Cl Ga O9 -","- B4 Ba1.9997 Cl Ga O9 -","- B16 Ba7.9988 Cl4 Ga4 O36 -","4","0.5","","Barbier, J.","The non - centrosymmetric borate chlorides Ba2 T B4 O9 Cl (T = Al, Ga)","Solid State Sciences","2007","9","","344","350","10.1016/j.solidstatesciences.2007.02.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511678","12.044","","12.044","","12.044","","90","","90","","90","","1747.08","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Ni3 (B7 O13 I)","","- B7 I Ni3 O13 -","- B7 I Ni3 O13 -","- B56 I8 Ni24 O104 -","8","0.0833333","","Thornley, F.R.; Nelmes, R.J.","Structural studies of boracites: III. The cubic phase of nickel iodine boracite, Ni3 B7 O13 I, at room temperature","Journal of Physics C","1976","9","","665","680","10.1088/0022-3719/9/5/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511714","5.31","","5.31","","7.93","","90","","90","","90","","223.595","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Re4.25 Co2.75 B4","","- B4 Co2.75 Re4.25 -","- B4 Co2.75 Re4.25 -","- B8 Co5.5 Re8.5 -","2","0.125","","Chepiga, M.V.; Kuz'ma, Yu.B.","The system rhenium - cobalt - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","1688","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511744","25.39","","4.433","","24.908","","90","","99.88","","90","","2761.91","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Gd2 (B4 O9)","","- B4 Gd2 O9 -","- B4 Gd2 O9 -","- B80 Gd40 O180 -","20","2.5","","Huppertz, H.; Emme, H.","High-pressure preparation, crystal structure and properties of alpha-(RE)2 B4 O9 (RE = Eu, Gd, Tb, Dy): oxoborates displaying a new type of structure with edge-sharing B O4 tetrahedra","Chemistry - A European Journal","2003","9","","3623","3633","10.1002/chem.200204696","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514046","2.80473","0.00004","4.57419","0.00008","5.74873","0.00009","90","","90","","90","","73.753","0.002","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Oxide (0.98/1/2)","","- Li0.98 Mn O2 -","- Li0.977 Mn1.023 O2 -","- Li1.954 Mn2.046 O4 -","2","0.25","","Kellerman, D. G.; Medvedeva, J. E.; Gorshkov, V. S.; Kurbakov, A. I.; Zubkov, V. G.; Tyutyunnik, A. P.; Trunov, V. A.","Structural and magnetic properties of orthorhombic Li(x) Mn O2","Solid State Sciences","2007","9","2","196","204","10.1016/j.solidstatesciences.2006.11.013","","","","","","0.0325","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514047","2.80644","0.00003","4.57536","0.00007","5.75092","0.00008","90","","90","","90","","73.8445","0.0017","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Dioxide","","- Li Mn O2 -","- Li0.996 Mn1.004 O2 -","- Li1.992 Mn2.008 O4 -","2","0.25","","Kellerman, D. G.; Medvedeva, J. E.; Gorshkov, V. S.; Kurbakov, A. I.; Zubkov, V. G.; Tyutyunnik, A. P.; Trunov, V. A.","Structural and magnetic properties of orthorhombic Li(x) Mn O2","Solid State Sciences","2007","9","2","196","204","10.1016/j.solidstatesciences.2006.11.013","","","","","","0.0261","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514048","2.80661","0.00002","4.57749","0.00004","5.75147","0.00005","90","","90","","90","","73.8905","0.0011","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganese Oxide (1.02/1/2)","","- Li1.02 Mn O2 -","- Li1.016 Mn0.984 O2 -","- Li2.032 Mn1.968 O4 -","2","0.25","","Kellerman, D. G.; Medvedeva, J. E.; Gorshkov, V. S.; Kurbakov, A. I.; Zubkov, V. G.; Tyutyunnik, A. P.; Trunov, V. A.","Structural and magnetic properties of orthorhombic Li(x) Mn O2","Solid State Sciences","2007","9","2","196","204","10.1016/j.solidstatesciences.2006.11.013","","","","","","0.0277","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514107","9.41","0.01","9.41","","9.41","","90","","90","","90","","833.2","0.9","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Manganese(III) Oxide - Beta","Bixbyite C","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.333333","","Aminoff, G.","Lattice dimensions and space group of braunite","Kunglia Svenska Vetenskaps Akademiens Handlingar","1931","9","","14","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514862","7.9251","0.0004","8.3409","0.0004","11.1686","0.0006","97.746","0.003","110.719","0.003","95.6","0.003","675.77","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0552","0.0415","","","0.1079","0.1176","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514863","9.2499","0.0004","17.8481","0.0007","9.1282","0.0004","90","","115.046","0.001","90","","1365.3","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0524","0.0378","","","0.0903","0.0985","","","","","","1.024","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514864","9.7184","0.0004","13.6885","0.0006","10.8658","0.0005","90","","106.839","0.003","90","","1383.5","0.11","90","0.1","90","0.1","","","","","","","","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","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0536","0.0371","","","0.0847","0.095","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514865","7.5969","0.0011","9.6007","0.0014","9.9994","0.0015","100.928","0.004","111.838","0.003","107.261","0.003","608.35","0.16","90","0.1","90","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0749","0.0502","","","0.1314","0.1473","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514903","12.847","0.003","7.442","0.0015","13.875","0.003","90","","106.04","0.03","90","","1274.9","0.5","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","4","","","- C22 H39 Na O9 S -","- C22 H39 Na O9 S -","- C44 H78 Na2 O18 S2 -","2","1","","Zhang, Tao; Wu, Ya; Gao, Lihong; Song, Zhongtai; Zhao, Li; Zhang, Yunxiao; Tao, Jingchao","A novel Na+ coordination mediated supramolecular organogel based on isosteviol: water-assisted self-assembly, in situ forming and selective gelation abilities","Soft Matter","2013","9","3","638","","10.1039/c2sm27062e","","","0.71073","MoKα","","0.0567","0.0482","","","0.1092","0.1141","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514904","7.35356","0.00014","22.3698","0.0004","28.078","0.0006","90","","90","","90","","4618.77","0.16","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 Na O7 S -","- C22 H33 Na O7 S -","- C176 H264 Na8 O56 S8 -","8","2","","Zhang, Tao; Wu, Ya; Gao, Lihong; Song, Zhongtai; Zhao, Li; Zhang, Yunxiao; Tao, Jingchao","A novel Na+ coordination mediated supramolecular organogel based on isosteviol: water-assisted self-assembly, in situ forming and selective gelation abilities","Soft Matter","2013","9","3","638","","10.1039/c2sm27062e","","","1.5418","CuKα","","0.065","0.0601","","","0.1561","0.1604","","","","","","1.001","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1515911","22.339","0.005","10.971","0.003","10.585","0.003","90","","90","","90","","2594.2","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.2024","0.0627","","","0.0766","0.1057","","","","","","0.916","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515912","22.3","0.03","11.026","0.018","10.542","0.018","90","","90","","90","","2592","7","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15- dithiatetracyclo-(10.3.0.0<2,6>.0<7,11>) pentadeca-4,6(7),11(12),13- tetraene (12%)","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo- [10.3.0.0<2,6>.0<7,11>] pentadeca-4,6(7),11(12),13-tetraene (12%)","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.2251","0.1009","","","0.2138","0.2612","","","","","","1.133","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515913","21.5461","0.0015","10.8096","0.0008","10.8098","0.0008","90","","90","","90","","2517.7","0.3","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0602","0.0385","","","0.0882","0.1002","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515914","21.586","0.002","10.8692","0.0011","10.7268","0.0011","90","","90","","90","","2516.7","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%)","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%)","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0463","0.0332","","","0.0731","0.0807","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515915","9.5508","0.0008","19.4249","0.0015","13.5268","0.0011","90","","95.743","0.001","90","","2496.9","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene","7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","1","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0538","0.0393","","","0.1208","0.1355","","","","","","0.97","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515916","21.307","0.006","12.193","0.004","10.669","0.003","90","","90","","90","","2771.8","1.4","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene","1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C31 H26 F6 S2 -","- C31 H26 F6 S2 -","- C124 H104 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0531","0.036","","","0.0889","0.0995","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515917","32.787","0.006","7.992","0.005","7.252","0.004","90","","90.19","0.04","90","","1900.3","1.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","8-(4-(methoxycarbonyl)phenyl) -1,3,5,7-tetramethyl-4,4- difluoro-3a, 4a-diaza-4-bora-s-indacene","8-[4-(methoxycarbonyl)phenyl] -1,3,5,7-tetramethyl-4,4-difluoro-3a, 4a-diaza-4-bora-s-indacene","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Filarowski, Aleksander; Kluba, Małgorzata; Cieślik-Boczula, Katarzyna; Koll, Aleksander; Kochel, Andrzej; Pandey, Lesley; De Borggraeve, Wim M.; Van der Auweraer, Mark; Catalán, Javier; Boens, Noël","Generalized solvent scales as a tool for investigating solvent dependence of spectroscopic and kinetic parameters. Application to fluorescent BODIPY dyes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","996","1008","10.1039/c0pp00035c","","","0.71073","MoKα","","0.0416","0.0319","","","0.0677","0.0718","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515918","10.5366","0.0004","12.5473","0.0005","17.9886","0.001","103.206","0.002","94.101","0.004","95.199","0.003","2295.33","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H34 Cl4 F4 Ir N7 O3 -","- C50 H34 Cl4 F4 Ir N7 O3 -","- C100 H68 Cl8 F8 Ir2 N14 O6 -","2","1","","Tart, Nicholas M.; Sykes, Daniel; Sazanovich, Igor; Tidmarsh, Ian S.; Ward, Michael D.","Iridium(III) luminophores as energy donors for sensitised emission from lanthanides in the visible and near-infrared regions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","886","889","10.1039/c0pp00011f","","","0.71073","MoKα","","0.1019","0.07","","","0.1662","0.1838","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515919","13.0065","0.0007","12.4226","0.0006","21.8351","0.0011","90","","90","","90","","3528","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H15 B F2 N2 -","- C23 H15 B F2 N2 -","- C184 H120 B8 F16 N16 -","8","1","","Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William","Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","1009","1017","10.1039/c0pp00039f","","","0.71073","MoKα","","0.0673","0.0426","","","0.0924","0.0972","","","","","","0.964","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515920","30.0651","0.0005","13.6116","0.0002","15.4512","0.0002","90","","114.351","0.001","90","","5760.63","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 B2 F8 N2 O -","- C31 H26 B2 F8 N2 O -","- C248 H208 B16 F64 N16 O8 -","8","1","","El-Idreesy, Tamer T; Clennan, Edward L.","Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","6","796","800","10.1039/c0pp00068j","","","0.71073","MoKα","","0.0696","0.0549","","","0.1488","0.1612","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515921","8.7453","0.0002","14.2435","0.0003","14.7221","0.0003","118.767","0.001","91.692","0.001","95.485","0.001","1594.15","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 B2 F8 N O7 -","- C30 H31 B2 F8 N O7 -","- C60 H62 B4 F16 N2 O14 -","2","1","","El-Idreesy, Tamer T; Clennan, Edward L.","Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","6","796","800","10.1039/c0pp00068j","","","0.71073","MoKα","","0.1088","0.0603","","","0.1586","0.1876","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515922","26.732","0.002","8.0585","0.0007","16.3195","0.0013","90","","90","","90","","3515.5","0.5","93","2","93","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","","- C45 H30 F6 S2 -","- C45 H30 F6 S2 -","- C180 H120 F24 S8 -","4","0.5","","Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro","Photochromism of dithienylethene single crystals having anthracene substituents.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","8","1079","1081","10.1039/c0pp00083c","","","0.71073","MoKα","","0.0505","0.0397","","","0.1005","0.104","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515923","9.8648","0.0009","11.9212","0.001","15.7333","0.0014","70.46","0.001","82.316","0.001","82.209","0.001","1719.8","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,2-Bis(2-(1-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","1,2-Bis(2-(1-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","","- C45 H30 F6 S2 -","- C45 H30 F6 S2 -","- C90 H60 F12 S4 -","2","1","","Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro","Photochromism of dithienylethene single crystals having anthracene substituents.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","8","1079","1081","10.1039/c0pp00083c","","","0.71073","MoKα","","0.054","0.0416","","","0.0985","0.1022","","","","","","0.954","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515924","9.8101","0.001","11.5143","0.0011","16.5482","0.0016","72.389","0.002","86.286","0.002","81.997","0.002","1763.8","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,2-Bis(2-(2-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","1,2-Bis(2-(2-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","","- C45 H30 F6 S2 -","- C45 H30 F6 S2 -","- C90 H60 F12 S4 -","2","1","","Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro","Photochromism of dithienylethene single crystals having anthracene substituents.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","8","1079","1081","10.1039/c0pp00083c","","","0.71073","MoKα","","0.0919","0.0771","","","0.1889","0.2004","","","","","","1.11","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1516453","30.312","0.005","20.567","0.003","6.777","0.0008","90","","90","","90","","4225","1.1","173","1","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C48 H50 N8 O5 -","- C48 H50 N8 O5 -","- C192 H200 N32 O20 -","4","0.5","","Ono, Katsuhiko; Tsukamoto, Kenichi; Hosokawa, Ryohei; Kato, Masaki; Suganuma, Motohiro; Tomura, Masaaki; Sako, Katsuya; Taga, Keijiro; Saito, Katsuhiro","A linear chain of water molecules accommodated in a macrocyclic nanotube channel.","Nano letters","2009","9","1","122","125","10.1021/nl802672u","","","0.7107","MoKα","","0.2907","0.0544","","","0.0808","0.1394","","","","","","0.682","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516653","13.576","0.001","8.049","0.001","10.772","0.001","90","","109.89","0.01","90","","1106.9","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O6 -","- C24 H33 N O6 -","- C48 H66 N2 O12 -","2","1","","Li, Chun-Shun; Di, Ying-Tong; He, Hong-Ping; Gao, Suo; Wang, Yue-Hu; Lu, Yang; Zhong, Jia-Liang; Hao, Xiao-Jiang","Daphlongeranines A and B, two novel alkaloids possessing unprecedented skeletons from Daphniphyllum longeracemosum.","Organic letters","2007","9","13","2509","2512","10.1021/ol070942+","","","0.71073","MoKα","","0.0384","0.038","","","0.1","0.1007","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516654","9.332","0.0006","12.2796","0.0009","25.7432","0.0017","90","","90","","90","","2950","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 F6 N2 O10 S2 Zn -","- C19 H34 F6 N2 O10 S2 Zn -","- C76 H136 F24 N8 O40 S8 Zn4 -","4","1","","Monge, David; Martín-Zamora, Eloísa; Vazquez, Juan; Alcarazo, Manuel; Alvarez, Eleuterio; Fernandez, Rosario; Lassaletta, José M","Enantioselective conjugate addition of N,N-dialkylhydrazones to alpha-hydroxy enones.","Organic letters","2007","9","15","2867","2870","10.1021/ol071055+","","","0.71073","MoKα","","0.032","0.0264","","","0.0545","0.0562","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516655","11.9304","0.0005","13.1965","0.0005","14.3418","0.0005","85.259","0.002","78.176","0.002","79.079","0.002","2167.77","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H35 Cl3 N4 O2 -","- C53 H35 Cl3 N4 O2 -","- C106 H70 Cl6 N8 O4 -","2","1","","Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng","The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes.","Organic letters","2007","9","2","235","238","10.1021/ol062668+","","","0.71073","MoKα","","0.1529","0.0796","","","0.204","0.2648","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516656","14.9947","0.0003","7.2016","0.0001","15.2457","0.0003","90","","113.94","0.001","90","","1504.69","0.05","295","2","295","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C40 H26 N4 O2 -","- C40 H26 N4 O2 -","- C80 H52 N8 O4 -","2","0.5","","Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng","The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes.","Organic letters","2007","9","2","235","238","10.1021/ol062668+","","","0.71073","MoKα","","0.0682","0.0503","","","0.1251","0.1431","","","","","","1.112","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516657","11.3862","0.0005","10.0904","0.0006","18.8335","0.0009","90","","90","","90","","2163.81","0.19","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C112 H72 N16 O8 -","4","0.5","","Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng","The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes.","Organic letters","2007","9","2","235","238","10.1021/ol062668+","","","0.71073","MoKα","","0.1237","0.0537","","","0.1217","0.1648","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516658","11.0052","0.0002","13.4251","0.0002","14.8416","0.0003","90","","102.384","0.001","90","","2141.76","0.07","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53 H33 Cl3 N6 O2 -","- C53 H33 Cl3 N6 O2 -","- C106 H66 Cl6 N12 O4 -","2","0.5","","Leung, Man-kit; Yang, Chih-Chiang; Lee, Jiun-Haw; Tsai, Hsin-Hung; Lin, Chi-Feng; Huang, Chih-Yen; Su, Yuhlong Oliver; Chiu, Chi-Feng","The unusual electrochemical and photophysical behavior of 2,2'-bis(1,3,4-oxadiazol-2-yl)biphenyls, effective electron transport hosts for phosphorescent organic light emitting diodes.","Organic letters","2007","9","2","235","238","10.1021/ol062668+","","","0.71073","MoKα","","0.107","0.078","","","0.2245","0.249","","","","","","1.722","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516659","12.063","0.002","11.771","0.002","11.209","0.002","90","","106.55","0.03","90","","1525.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Yang, Luo; Deng, Gang; Wang, De-Xian; Huang, Zhi-Tang; Zhu, Jie-Ping; Wang, Mei-Xiang","Highly efficient and stereoselective N-vinylation of oxiranecarboxamides and unprecedented 8-endo-epoxy-arene cyclization: expedient and biomimetic synthesis of some Clausena alkaloids.","Organic letters","2007","9","7","1387","1390","10.1021/ol070292+","","","0.71073","MoKα","","0.0932","0.0662","","","0.1721","0.1959","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516660","11.1671","0.0006","16.1513","0.0009","13.1889","0.0007","90","","95.155","0.0017","90","","2369.2","0.2","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","1","","Tsuchikama, Kyoji; Kuwata, Yusuke; Tahara, Yu-ki; Yoshinami, Yusuke; Shibata, Takanori","Rh-catalyzed cyclization of diynes and enynes initiated by carbonyl-directed activation of aromatic and vinylic C-H bonds.","Organic letters","2007","9","16","3097","3099","10.1021/ol0711669","","","0.71075","MoKα","","","0.0389","","","","0.1207","","","","","","0.989","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516661","9.6928","0.0003","10.3932","0.0003","15.2434","0.0005","90","","100.477","0.002","90","","1510.01","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Su, Shun; Porco, Jr, John A","1,2-dihydroisoquinolines as templates for cascade reactions to access isoquinoline alkaloid frameworks.","Organic letters","2007","9","24","4983","4986","10.1021/ol702176h","","","0.71073","MoKα","","0.0512","0.0393","","","0.1103","0.1189","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516662","8.2919","0.0008","18.2388","0.0018","10.7413","0.001","90","","106.478","0.002","90","","1557.7","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H44 O11 -","- C32 H44 O11 -","- C64 H88 O22 -","2","1","","Yin, Sheng; Wang, Xiao-Ning; Fan, Cheng-Qi; Liao, Shang-Gao; Yue, Jian-Min","The first limonoid peroxide in the Meliaceae family: walsuronoid A from Walsura robusta.","Organic letters","2007","9","12","2353","2356","10.1021/ol070735+","","","0.71073","MoKα","","0.0609","0.0542","","","0.1248","0.1286","","","","","","0.96","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516663","16.0338","0.0017","5.4918","0.0004","16.9616","0.0018","90","","117.095","0.004","90","","1329.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","2","","Jung, Jae Hoon; Kim, Yong Wook; Kim, Min Ah; Choi, Soo Young; Chung, Young Keun; Kim, Tae-Rae; Shin, Seokmin; Lee, Eun","Efficient chirality transfer in the SmI2-mediated cyclization of aldehydo beta-alkoxyvinyl sulfoxides: asymmetric synthesis of 3-hydroxyoxanes.","Organic letters","2007","9","17","3225","3228","10.1021/ol071176+","","","0.71073","MoKα","","0.1215","0.0606","","","0.1253","0.1507","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1521712","4.2174","","4.2174","","4.2174","","90","","90","","90","","75.013","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ba (Ce0.1 Zr0.9) O3","","- Ba Ce0.1 O3 Zr0.9 -","- Ba Ce0.1 O3 Zr0.9 -","- Ba Ce0.1 O3 Zr0.9 -","1","0.0208333","","Pagnier, T.; Lucazeau, G.; Ritter, C.; Charrier-Cougoulic, I.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521713","6.0605","","6.0605","","14.798","","90","","90","","120","","470.707","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ba ((Ce0.4 Zr0.6) O3)","","- Ba Ce0.4 O3 Zr0.6 -","- Ba Ce0.4 O3 Zr0.6 -","- Ba6 Ce2.4 O18 Zr3.6 -","6","0.166667","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521714","6.1536","","8.6855","","6.1831","","90","","90","","90","","330.469","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Ba ((Ce0.8 Zr0.2) O3)","","- Ba Ce0.8 O3 Zr0.2 -","- Ba Ce0.8 O3 Zr0.2 -","- Ba4 Ce3.2 O12 Zr0.8 -","4","0.25","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521715","4.3033","","4.3033","","4.3033","","90","","90","","90","","79.69","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ba ((Ce0.4 Zr0.6) O3)","","- Ba Ce0.4 O3 Zr0.6 -","- Ba Ce0.4 O3 Zr0.6 -","- Ba Ce0.4 O3 Zr0.6 -","1","0.0208333","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521716","6.18","","6.18","","15.0567","","90","","90","","120","","498.009","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ba ((Ce0.8 Zr0.2) O3)","","- Ba Ce0.8 O3 Zr0.2 -","- Ba Ce0.8 O3 Zr0.2 -","- Ba6 Ce4.8 O18 Zr1.2 -","6","0.166667","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521717","4.3957","","4.3957","","4.3957","","90","","90","","90","","84.934","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ba ((Ce0.8 Zr0.2) O3)","","- Ba Ce0.8 O3 Zr0.2 -","- Ba Ce0.8 O3 Zr0.2 -","- Ba Ce0.8 O3 Zr0.2 -","1","0.0208333","","Pagnier, T.; Charrier-Cougoulic, I.; Ritter, C.; Lucazeau, G.","A neutron diffraction study of Ba Cex Zr1-x O3","The European Physical Journal Apllied Physics","2000","9","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522081","3.49","","3.49","","3.49","","90","","90","","90","","42.509","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Os0.1 U0.9)","","- Os0.1 U0.9 -","- Os0.1 U0.9 -","- Os0.2 U1.8 -","2","0.0208333","","Knapton, A.G.","The uranium-osmium system","Journal of Nuclear Materials","1963","9","","309","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","142300","2020-10-21","18:00:00",""
"1522268","11.208","","11.208","","11.208","","90","","90","","90","","1407.94","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Mg24 Tm5 -","- Mg24 Tm5 -","- Mg48 Tm10 -","2","0.0416667","","Kripyakevich, P.I.; Evdokimenko, V.I.; Gladyshevskii, E.I.","Compounds with the alpha-Mn superstructure in the rare earth-magnesium system","Kristallografiya","1964","9","","410","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522286","4.226","","4.226","","4.226","","90","","90","","90","","75.472","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ga3 Ho -","- Ga3 Ho -","- Ga3 Ho -","1","0.0208333","","Kripyakevich, P.I.; Dzyana, D.I.; Markiv, V.Ya.","R Ga3 compounds in systems of rare earth-metal-gallium","Ukrains'kii Fizichnii Zhurnal (Russian Edition)","1964","9","","908","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522288","4.188","","4.188","","4.188","","90","","90","","90","","73.455","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ga3 Tm -","- Ga3 Tm -","- Ga3 Tm -","1","0.0208333","","Kripyakevich, P.I.; Markiv, V.Ya.; Dzyana, D.I.","R Ga3 compounds in systems RE-Ga","Ukrains'kii Fizichnii Zhurnal (Russian Edition)","1964","9","","908","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522471","5.933","","5.933","","5.933","","90","","90","","90","","208.845","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ga Ni2 Ta -","- Ga Ni2 Ta -","- Ga4 Ni8 Ta4 -","4","0.0208333","","Markiv, V.Ya.; Voroshilov, Yu.V.; Kripyakevich, P.I.; Cherkashin, E.E.","New compounds of the Mn Cu2 Al and Mg Zn2 types containing aluminium and gallium","Kristallografiya","1964","9","","737","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522579","4.095","","4.095","","4.095","","90","","90","","90","","68.669","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Np Pd3 -","- Np Pd3 -","- Np Pd3 -","1","0.0208333","","Nellis, W.J.; Dunlap, B.D.; Harvey, A.R.; Davidson, G.R.; Lander, G.H.; Brodsky, M.B.; Reddy, J.F.; Mueller, M.H.","Magnetic properties of Np Pd3 and Pu Pd3 intermetallic compounds","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","9","","1041","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522799","3.2732","","3.2732","","3.2732","","90","","90","","90","","35.069","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Os0.1 Ta0.9)","","- Os0.1 Ta0.9 -","- Os0.1 Ta0.9 -","- Os0.2 Ta1.8 -","2","0.0208333","","Rudman, P.S.","Lattice parameters of tantalum-osmium alloys","Journal of the Less-Common Metals","1965","9","","77","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","143081","2020-10-21","18:00:00",""
"1522835","2.767","","2.767","","4.485","","90","","90","","120","","29.738","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mo0.466 Pd0.534)","","- Mo0.466 Pd0.534 -","- Mo0.466 Pd0.534 -","- Mo0.932 Pd1.068 -","2","0.0833333","","Savitskii, E.M.; Tylkina, M.A.; Khamidov, O.Kh.","The molybdenum-palladium system","Zhurnal Neorganicheskoi Khimii","1964","9","","1475","1477","","","","","","","","","","","","","","","","","","","","","","has coordinates","143118","2020-10-21","18:00:00",""
"1522836","7.62","","7.62","","7.62","","90","","90","","90","","442.451","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Mo W) Zr","","- Mo W Zr -","- Mo W Zr -","- Mo8 W8 Zr8 -","8","0.0416667","","Savitskii, E.M.; Zakharov, A.M.","Alloys of the Mo2 Zr - W2 Zr section","Zhurnal Neorganicheskoi Khimii","1964","9","","2261","2263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523328","3.62","","3.62","","5.73","","90","","90","","120","","65.028","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Gd Tb)","","- Gd Tb -","- Gd Tb -","- Gd Tb -","1","0.0416667","","Burov, I.V.; Terekhova, V.F.; Savitskii, E.M.","Alloys of gadolinium with terbium and erbium","Zhurnal Neorganicheskoi Khimii","1964","9","","1100","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523457","7.661","","7.661","","7.661","","90","","90","","90","","449.631","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(La0.2 Th0.8) Ru2","","- La0.2 Ru2 Th0.8 -","- La0.2 Ru2 Th0.8 -","- La1.6 Ru16 Th6.4 -","8","0.0416667","","Dewees, M.; Henderson, J.S.; Osmon, M.C.; Lawson, A.C.jr.","Superconductivity of (La, Th) Ru2, (La, Th) Os2 and La (Ru, Os)2 alloys","Journal of the Less-Common Metals","1965","9","","9","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523458","7.673","","7.673","","7.673","","90","","90","","90","","451.747","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(La0.4 Th0.6) Ru2","","- La0.4 Ru2 Th0.6 -","- La0.4 Ru2 Th0.6 -","- La3.2 Ru16 Th4.8 -","8","0.0416667","","Dewees, M.; Osmon, M.C.; Henderson, J.S.; Lawson, A.C.jr.","Superconductivity of (La, Th) Ru2, (La, Th) Os2 and La (Ru, Os)2 alloys","Journal of the Less-Common Metals","1965","9","","9","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523465","3.22","","3.22","","3.22","","90","","90","","90","","33.386","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Nb W)","","- Nb W -","- Nb W -","- Nb W -","1","0.0104167","","Dokukina, N.V.; Shamrai, F.I.; Gladyshevskii, E.I.","The Nb-Si-W system","Zhurnal Neorganicheskoi Khimii","1964","9","","1031","1033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523533","5.291","","5.291","","5.291","","90","","90","","90","","148.12","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- La -","- La -","- La4 -","4","0.0208333","","Eliseev, A.A.; Yarembash, E.I.; Vigileva, E.S.; Antonova, L.I.; Zachatakaya, A.V.","Polymorphism of lanthanum","Zhurnal Neorganicheskoi Khimii","1964","9","","565","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523593","10.34","","10.34","","5.98","","90","","90","","90","","639.355","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Mg12 Pr -","- Mg12 Pr -","- Mg24 Pr2 -","2","0.0625","","Evdokimenko, V.I.; Kripyakevich, P.I.","Crystal structures of a magnesium-rich compound in the Pr-Mg system","Kristallografiya","1964","9","","554","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523621","3.038","","3.038","","3.038","","90","","90","","90","","28.039","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ga0.15 V0.85)","","- Ga0.15 V0.85 -","- Ga0.15 V0.85 -","- Ga0.3 V1.7 -","2","0.0208333","","Fischer, J.J.; Probst, H.B.","The vanadium-gallium system in the region of V3 Ga","Journal of the Less-Common Metals","1965","9","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","144242","2020-10-21","18:00:00",""
"1523778","4.0358","","4.0358","","4.0358","","90","","90","","90","","65.734","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Pd3 -","- Lu Pd3 -","- Lu Pd3 -","1","0.0208333","","Harris, I.R.; Raynor, G.V.","Rare-earth intermediate phases. II. Phases formed with palladium","Journal of the Less-Common Metals","1965","9","","263","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523779","4.0773","","4.0773","","4.0773","","90","","90","","90","","67.783","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Tb -","- Pd3 Tb -","- Pd3 Tb -","1","0.0208333","","Harris, I.R.; Raynor, G.V.","Rare-earth intermediate phases. II. Phases formed with palladium","Journal of the Less-Common Metals","1965","9","","263","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523780","4.5732","","4.5732","","4.5732","","90","","90","","90","","95.645","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho In3 -","- Ho In3 -","- Ho In3 -","1","0.0208333","","Harris, I.R.; Raynor, G.V.","Rare earth intermediate phases. I. Phases formed with tin and indium","Journal of the Less-Common Metals","1965","9","","7","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523781","4.062","","4.062","","4.062","","90","","90","","90","","67.022","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Pd3 -","- Ho Pd3 -","- Ho Pd3 -","1","0.0208333","","Harris, I.R.; Raynor, G.V.","Rare earth intermediate phases. II. Phases formed with palladium","Journal of the Less-Common Metals","1965","9","","263","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523860","3.491","","3.491","","3.491","","90","","90","","90","","42.545","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Zn -","- Lu Zn -","- Lu Zn -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523861","3.881","","3.881","","3.881","","90","","90","","90","","58.456","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Nd -","- Mg Nd -","- Mg Nd -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523862","3.898","","3.898","","3.898","","90","","90","","90","","59.228","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Pr -","- Mg Pr -","- Mg Pr -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523863","3.744","","3.744","","3.744","","90","","90","","90","","52.482","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Tm -","- Mg Tm -","- Mg Tm -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523864","3.848","","3.848","","3.848","","90","","90","","90","","56.978","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nd Tl -","- Nd Tl -","- Nd Tl -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523865","3.66","","3.66","","3.66","","90","","90","","90","","49.028","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Ho -","- Hg Ho -","- Hg Ho -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. MX compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523866","3.69","","3.69","","3.69","","90","","90","","90","","50.243","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Tb -","- Hg Tb -","- Hg Tb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523867","3.632","","3.632","","3.632","","90","","90","","90","","47.911","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Tm -","- Hg Tm -","- Hg Tm -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523868","3.731","","3.731","","3.731","","90","","90","","90","","51.937","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Yb -","- Hg Yb -","- Hg Yb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523869","3.77","","3.77","","3.77","","90","","90","","90","","53.583","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Mg -","- Ho Mg -","- Ho Mg -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523870","3.735","","3.735","","3.735","","90","","90","","90","","52.104","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Tl -","- Ho Tl -","- Ho Tl -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523871","3.97","","3.97","","3.97","","90","","90","","90","","62.571","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Mg -","- La Mg -","- La Mg -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523872","3.936","","3.936","","3.936","","90","","90","","90","","60.977","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Tl -","- La Tl -","- La Tl -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524393","5.642","","5.642","","5.642","","90","","90","","90","","179.597","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Cu0.25 Ga0.25 Zn0.5) Se","","- Cu0.25 Ga0.25 Se Zn0.5 -","- Cu0.25 Ga0.25 Se Zn0.5 -","- Cu Ga Se4 Zn2 -","4","0.0416667","","Garbato, L.; Manca, P.","Synthesis and characterization of some chalcogenides of A(I) B2(II) C(III) D4(VI) composition","Materials Research Bulletin","1974","9","","511","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524477","8.715","","3.845","","14.15","","90","","90","","90","","474.155","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","K Fe Cl3","Javorieite","- Cl3 Fe K -","- Cl3 Fe K -","- Cl12 Fe4 K4 -","4","0.5","","Gurewitz, E.; Makovsky, J.; Shaked, H.","Neutron diffraction study of the magnetic structure of K Fe Cl3","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","9","","1071","1076","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:51",""
"1524487","7.1349","","7.1349","","7.1349","","90","","90","","90","","363.215","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Co2 Tm -","- Co2 Tm -","- Co16 Tm8 -","8","0.0416667","","Harris, I.R.; Mansey, R.C.; Raynor, G.V.","Rare earth intermediate phases. III. The cubic Laves phases formed with aluminium and cobalt","Journal of the Less-Common Metals","1965","9","","270","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524488","8.0028","","8.0028","","8.0028","","90","","90","","90","","512.538","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Al2 Nd","","- Al Nd2 -","- Al Nd2 -","- Al8 Nd16 -","8","0.0416667","","Harris, I.R.; Mansey, R.C.; Raynor, G.V.","Rare earth intermediate phases III. The cubic laves phases formed with aluminium and cobalt","Journal of the Less-Common Metals","1965","9","","270","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524531","5.861","","5.712","","25.295","","90","","90","","90","","846.827","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","Ce Si P3","","- Ce P3 Si -","- Ce P3 Si -","- Ce8 P24 Si8 -","8","2","","Hayakawa, H.; Ono, S.; Sasaki, Y.; Kobayashi, A.","The crystal structure of cerium silicon triphosphide Ce Si P3","Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-)","1978","9","","1214","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524574","3.676","","3.676","","3.676","","90","","90","","90","","49.674","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Dy Hg -","- Dy Hg -","- Dy Hg -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare-earths in intermetallic compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524575","3.645","","3.645","","3.645","","90","","90","","90","","48.428","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Hg -","- Er Hg -","- Er Hg -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare-earths in intermetallic compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524576","3.756","","3.756","","3.756","","90","","90","","90","","52.988","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Mg -","- Er Mg -","- Er Mg -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare-earths in intermetallic compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524577","3.715","","3.715","","3.715","","90","","90","","90","","51.272","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Tl -","- Er Tl -","- Er Tl -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare-earths in intermetallic compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524578","3.88","","3.88","","3.88","","90","","90","","90","","58.411","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Eu Hg -","- Eu Hg -","- Eu Hg -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare-earths in intermetallic compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524579","3.97","","3.97","","3.97","","90","","90","","90","","62.571","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Eu Tl -","- Eu Tl -","- Eu Tl -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare-earths in intermetallic compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524580","3.734","","3.734","","3.734","","90","","90","","90","","52.062","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cd Tb -","- Cd Tb -","- Cd Tb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524886","5.923","","5.923","","5.923","","90","","90","","90","","207.79","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co2 Ga Ta -","- Co2 Ga Ta -","- Co8 Ga4 Ta4 -","4","0.0208333","","Markiv, V.Ya.; Cherkashin, E.E.; Voroshilov, Yu.V.; Kripyakevich, P.I.","New compounds of the Mn Cu2 Al and Mg Zn2 types containing aluminium and gallium","Kristallografiya","1964","9","","737","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525141","3.6962","","3.6962","","3.6962","","90","","90","","90","","50.497","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Cu Ni Pd).333","","- Cu0.333 Ni0.333 Pd0.333 -","- Cu0.333 Ni0.333 Pd0.334 -","- Cu1.332 Ni1.332 Pd1.336 -","4","0.0208333","","Rao, K.K.","The lattice spacings of Pd-Ni-Cu ternary alloys","Journal of the Less-Common Metals","1965","9","","70","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","146043","2020-10-21","18:00:00",""
"1525365","3.6132","","3.6132","","5.7151","","90","","90","","120","","64.616","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Dy Gd -","- Dy Gd -","- Dy Gd -","1","0.0416667","","Sweger, D.M.; Segnan, R.; Rhyne, J.J.","Temperature dependence of hyperfine interactions in Dy - Gd alloys","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","9","","3864","3870","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525933","12.497","","12.497","","12.497","","90","","90","","90","","1951.72","","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Eu3 Fe5 O12 -","- Eu3 Fe5 O12 -","- Eu24 Fe40 O96 -","8","0.0833333","","Dukhovskaya, E.L.; Titova, A.G.; Saksonov, Yu.G.","Oxygen parameters of certain compounds with the garnet structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","809","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525935","12.435","","12.435","","12.435","","90","","90","","90","","1922.81","","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","Tb3 Fe5 O12","","- Fe5 O12 Tb3 -","- Fe5 O12 Tb3 -","- Fe40 O96 Tb24 -","8","0.0833333","","Dukhovskaya, E.L.; Saksonov, Yu.G.; Titova, A.G.","Oxygen parameters of certain compounds with the garnet structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","809","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","147015","2020-10-21","18:00:00",""
"1525937","12.424","","12.424","","12.424","","90","","90","","90","","1917.72","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Y3 In.42 Fe4.58 O12","","- Fe4.58 In0.42 O12 Y3 -","- Fe4.58 In0.42 O12 Y3 -","- Fe36.64 In3.36 O96 Y24 -","8","0.0833333","","Dukhovskaya, E.L.; Titova, A.G.; Saksonov, Yu.G.","Oxygen parameters of certain comoounds with the garnet structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","809","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","147017","2020-10-21","18:00:00",""
"1525939","12.462","","12.462","","12.462","","90","","90","","90","","1935.37","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Y3 Sc1.05 Fe3.95 O12","","- Fe3.95 O12 Sc1.05 Y3 -","- Fe3.95 O12 Sc1.05 Y3 -","- Fe31.6 O96 Sc8.4 Y24 -","8","0.0833333","","Dukhovskaya, E.L.; Titova, A.G.; Saksonov, Yu.G.","Oxygen parameters of certain compounds with the qarnet structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","809","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","147019","2020-10-21","18:00:00",""
"1525941","12.254","","12.254","","12.254","","90","","90","","90","","1840.07","","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Er3 Ga5 O12 -","- Er3 Ga5 O12 -","- Er24 Ga40 O96 -","8","0.0833333","","Dukhovskaya, E.L.; Saksonov, Yu.G.; Titova, A.G.","Oxygen parameters of certain compounds with the garnet structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","809","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527251","4.0801","","4.0801","","16.334","","90","","90","","90","","271.916","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- La4 Ni S7 -","- La4 Ni1.008 S7.016 -","- La4 Ni1.008 S7.016 -","1","0.03125","","Collin, G.; Flahaut, J.","Structure des composes L4 M S7 (L = La, Ce, Pr, Nd; M = Co, Ni) type Ke Ni F4 deforme","Journal of Solid State Chemistry","1974","9","","352","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527384","5.78","","4.84","","11.65","","90","","95.5","","90","","324.411","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","H3 P O4","","- H3 O4 P -","- H3 O4 P -","- H12 O16 P4 -","4","1","","Furberg, S.","The crystal structure of phosphoric acid","Acta Chemica Scandinavica (1-27,1973-42,1988)","1955","9","","1557","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527483","4.7215","","4.7215","","4.7215","","90","","90","","90","","105.254","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Sn3 Th -","- Sn3 Th -","- Sn3 Th -","1","0.0208333","","Harris, I.R.; Raynor, G.V.","Rare earth intermediate phases. I. Phases formed with tin and indium","Journal of the Less-Common Metals","1965","9","","7","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527527","9.87","","9.87","","7.094","","90","","90","","120","","598.489","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Tl3 (As Se3)","","- As Se3 Tl3 -","- As Se3 Tl3 -","- As3 Se9 Tl9 -","3","0.166667","","Hong, H.Y.-P.; Mikkelsen, J.C.Jr.; Roland, G.W.","Crystal structure of Tl3 As Se3","Materials Research Bulletin","1974","9","","365","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527556","3.711","","3.711","","3.711","","90","","90","","90","","51.106","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tl Tm -","- Tl Tm -","- Tl Tm -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527557","3.826","","3.826","","3.826","","90","","90","","90","","56.006","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tl Yb -","- Tl Yb -","- Tl Yb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl-type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527558","3.76","","3.76","","3.76","","90","","90","","90","","53.157","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tb Tl -","- Tb Tl -","- Tb Tl -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. M X compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527691","4.169","","4.169","","4.169","","90","","90","","90","","72.46","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ga3 Lu -","- Ga3 Lu -","- Ga3 Lu -","1","0.0208333","","Kripyakevich, P.I.; Markiv, V.Ya.; Dzyana, D.I.","R Ga3 compounds in systems of rare earth metal - gallium","Ukrains'kii Fizichnii Zhurnal (Russian Edition)","1964","9","","908","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528140","5.292","","9.164","","10.143","","90","","100.07","","90","","484.316","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K Mg2.75 Si3.5 Al0.5 O10 F2","","- Al0.5 F2 K Mg2.75 O10 Si3.5 -","- Al0.5 F2 K0.938 Mg2.781 O10 Si3.5 -","- Al F4 K1.876 Mg5.562 O20 Si7 -","2","0.25","","Toraya, H.; Iwai, S.I.; Marumo, F.; Nishikawa, T.; Hirao, M.","The crystal structure of synthetic mica, K Mg2.75 Si3.5 Al0.5 O10 F2","Mineralogical Journal (Japan)","1978","9","","210","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528141","5.417","","9.345","","10.468","","90","","100.03","","90","","521.811","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K Mg3 Ge3 Al O10 F2","","- Al F2 Ge3 K Mg3 O10 -","- Al F2 Ge3 K Mg3 O10 -","- Al2 F4 Ge6 K2 Mg6 O20 -","2","0.25","","Toraya, H.; Iwai, S.I.; Hirao, M.; Marumo, F.","The crystal structure of a germanate mica, K Mg3 Ge3 Al O10 F2","Mineralogical Journal (Japan)","1978","9","","221","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528214","15.534","","7.197","","7.187","","90","","90","","90","","803.494","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Rb2 Cu Cl4","","- Cl4 Cu Rb2 -","- Cl4 Cu Rb2 -","- Cl16 Cu4 Rb8 -","4","","","Witteveen, H.T.; Jongejan, D.L.; Brandwijk, V.","Preparation of compounds A2 Cu Cl4-x Brx (A= K, Rb, N H4, Tl; x= 0, 1, 2) and crystal structures of compounds Rb2 Cu Cl4-x Brx with ordered distribution of the anions","Materials Research Bulletin","1974","9","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528215","15.92","","7.206","","7.224","","90","","90","","90","","828.734","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Rb2 Cu Cl3 Br","","- Br Cl3 Cu Rb2 -","- Br Cl3 Cu Rb2 -","- Br4 Cl12 Cu4 Rb8 -","4","","","Witteveen, H.T.; Jongejan, D.L.; Brandwijk, V.","Preparation of compounds A2 Cu Cl4-x Brx (A= K, Rb, N H4, Tl; x= 0, 1, 2) and crystal structures of compounds Rb2 Cu Cl4-x Brx with ordered distribution of the anions","Materials Research Bulletin","1974","9","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528216","16.252","","7.242","","7.26","","90","","90","","90","","854.48","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Rb2 Cu Cl2 Br2","","- Br2 Cl2 Cu Rb2 -","- Br2 Cl2 Cu Rb2 -","- Br8 Cl8 Cu4 Rb8 -","4","","","Witteveen, H.T.; Jongejan, D.L.; Brandwijk, V.","Preparation of compounds A2 Cu Cl4-x Brx (A= K, Rb, N H4, Tl; x= 0, 1, 2) and crystal structures of compounds Rb2 Cu Cl4-x Brx with ordered distribution of the anions","Materials Research Bulletin","1974","9","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528259","7.47","","7.35","","12.97","","90","","91.92","","90","","711.712","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K2 (Cr2 O7)","","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","1","","Zhukova, L.A.; Pinsker, Z.G.","An electron-diffraction study of the structure of potassium dichromate","Kristallografiya","1964","9","","44","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","150253","2020-10-21","18:00:00",""
"1528326","8.4048","","8.4048","","8.4048","","90","","90","","90","","593.721","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Li Fe0.5 Ti1.5 O4","","- Fe0.5 Li O4 Ti1.5 -","- Fe0.5 Li O4 Ti1.5 -","- Fe4 Li8 O32 Ti12 -","8","0.333333","","Avdeev, G.; Petrov, K.; Mitov, I.","X-ray diffraction and Moessbauer spectroscopy studies of Li Fe0.5 Ti1.5 O4 - a new primitive cubic ordered spinel","Solid State Sciences","2007","9","","1135","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528331","6.517","","6.517","","11.873","","90","","90","","90","","504.262","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Ta5 Si3","","- Si3 Ta5 -","- Si3 Ta5 -","- Si12 Ta20 -","4","0.125","","Bachmayer, K.; Nowotny, H.; Kohl, A.","Der Aufbau der Silizide M5 Si3","Planseeberichte fuer Pulvermetallurgie","1961","9","","54","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","150425","2020-10-21","18:00:00",""
"1528334","12.1109","","12.1109","","6.8414","","90","","90","","90","","1003.46","","","","","","","","","","","","","5","P 42 n m","P 4n -2n","102","","Ba2 Al B4 O9 Cl","","- Al B4 Ba2 Cl O9 -","- Al B4 Ba2.0001 Cl O9 -","- Al4 B16 Ba8.0004 Cl4 O36 -","4","0.5","","Barbier, J.","The non - centrosymmetric borate chlorides Ba2 T B4 O9 Cl (T = Al, Ga)","Solid State Sciences","2007","9","","344","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528397","3.8304","","3.8304","","20.1396","","90","","90","","90","","295.487","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr3 Cr2 O6.95","","- Cr2 O6.95 Sr3 -","- Cr2 O6.95 Sr3 -","- Cr4 O13.9 Sr6 -","2","0.0625","","Castillo-Martinez, E.; Alario-Franco, M.A.","Revisiting the Sr - Cr(IV) - O system at high pressure and temperature with special reference to Sr3 Cr2 O7","Solid State Sciences","2007","9","","564","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","150566","2020-10-21","18:00:00",""
"1528398","5.791","","5.8108","","8.1964","","90","","90","","90","","275.812","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sr (Zr O3)","","- O3 Sr Zr -","- O3 Sr Zr -","- O12 Sr4 Zr4 -","4","0.5","","Cavalcante, L.S.; Simoes, A.Z.; Longo, E.; Sczancoski, J.C.; Erlo, R.; Escote, M.T.; Longo, V.M.; Varela, J.A.","Sr Zr O3 powders obtained by chemical method: synthesis, characterization and optical absorption behaviour","Solid State Sciences","2007","9","","1020","1027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528417","5.0017","","5.0017","","11.2664","","90","","90","","90","","281.852","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Ho (Cr O4)","","- Cr Ho O4 -","- Cr Ho O4 -","- Cr4 Ho4 O16 -","4","0.25","","Climent-Pascual, E.; Saez-Puche, R.; de Paz, J.R.; Gallardo-Amores, J.M.","Ferromagnetism vs. antiferromagnetism of the dimorphic Ho Cr O4 oxide","Solid State Sciences","2007","9","","574","579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528453","4.3262","","14.181","","16.556","","90","","90","","90","","1015.71","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Pb2 Sb S2 I3","","- I3 Pb2 S2 Sb -","- I3 Pb2 S2 Sb -","- I12 Pb8 S8 Sb4 -","4","0.25","","Doussier, C.; Moelo, Y.; Meerschaut, A.; Leone, P.; Evain, M.","Crystal structure of Pb2 Sb S2 I3, and re-examination of the crystal chemistry within the group of (Pb/Sn/Sb) chalcogeno-iodides","Solid State Sciences","2007","9","","792","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528505","5.27","","5.27","","9.157","","90","","90","","120","","220.245","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","K (As4 O6 I)","","- As4 I K O6 -","- As4 I K O6 -","- As4 I K O6 -","1","0.0416667","","Galdecki, Z.; Jozefowicz, E.","Crystal structure of potassium iododiarsenite K As4 O6 I and some analogous compounds","Lodzkie Towarzystwo Naukowe, Prace Wydzielu 3: Nauk Matematyczno-Przyrodniczych","1964","9","","5","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528506","5.26","","5.26","","8.97","","90","","90","","120","","214.929","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","K (As4 O6) Br","","- As4 Br K O6 -","- As4 Br K O6 -","- As4 Br K O6 -","1","0.0416667","","Galdecki, Z.; Jozefowicz, E.","Crystal structure of potassium iododiarsenite K As4 O6 I and some analogous compounds","Lodzkie Towarzystwo Naukowe, Prace Wydzielu 3: Nauk Matematyczno-Przyrodniczych","1964","9","","5","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528507","5.28","","5.28","","9.31","","90","","90","","120","","224.775","","","","","","","","","","","","","5","P 6/m m m","-P 6 2","191","","(N H4) (As4 O6) I","","- As4 H4 I N O6 -","- As4 I N O6 -","- As4 I N O6 -","1","0.0416667","","Galdecki, Z.; Jozefowicz, E.","Crystal structure of potassium iododiarsenaite K As4 O6 I and some analogous compounds","Lodzkie Towarzystwo Naukowe, Prace Wydzielu 3: Nauk Matematyczno-Przyrodniczych","1964","9","","5","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528515","8.931","","16.6297","","9.9858","","90","","105.824","","90","","1426.89","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Cd Zr (C2 O4)3 (H2 O)3) (H2 O)2","","- C6 H10 Cd O17 Zr -","- C6 H10 Cd O17 Zr -","- C24 H40 Cd4 O68 Zr4 -","4","1","","Gavilan, E.; Audebrand, N.; Jeanneau, E.","A new series of mixed oxalates M M'(C2 O4)3 (H2 O)3 * n(H2 O) (M = Cd, Hg, Pb; M' = Zr, Hf) based on eight-fold coordinated metals: synthesis, crystal structure from single-crystal and powder diffraction data and thermal behaviour","Solid State Sciences","2007","9","","985","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528516","8.9501","","16.7923","","10.0015","","90","","105.866","","90","","1445.89","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Hg Zr (C2 O4)3 (H2 O)3) (H2 O)2","","- C6 H10 Hg O17 Zr -","- C6 H10 Hg O17 Zr -","- C24 H40 Hg4 O68 Zr4 -","4","1","","Gavilan, E.; Audebrand, N.; Jeanneau, E.","A new series of mixed oxalates M M'(C2 O4)3 (H2 O)3 * n(H2 O) (M = Cd, Hg, Pb; M' = Zr, Hf) based on eight-fold coordinated metals: synthesis, crystal structure from single-crystal and powder diffraction data and thermal behaviour","Solid State Sciences","2007","9","","985","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528517","8.8812","","16.597","","9.9642","","90","","105.833","","90","","1413.01","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Cd Hf (C2 O4)3 (H2 O)3) (H2 O)2","","- C6 H10 Cd Hf O17 -","- C6 Cd Hf O17 -","- C24 Cd4 Hf4 O68 -","4","1","","Gavilan, E.; Audebrand, N.; Jeanneau, E.","A new series of mixed oxalates M M'(C2 O4)3 (H2 O)3 * n(H2 O) (M = Cd, Hg, Pb; M' = Zr, Hf) based on eight-fold coordinated metals: synthesis, crystal structure from single-crystal and powder diffraction data and thermal behaviour","Solid State Sciences","2007","9","","985","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528518","10.0978","","14.3912","","9.6585","","90","","105.855","","90","","1350.17","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Pb Zr (C2 O4)3 (H2 O)3) (H2 O)","","- C6 H8 O16 Pb Zr -","- C6 H8 O16 Pb Zr -","- C24 H32 O64 Pb4 Zr4 -","4","1","","Gavilan, E.; Audebrand, N.; Jeanneau, E.","A new series of mixed oxalates M M'(C2 O4)3 (H2 O)3 * n(H2 O) (M = Cd, Hg, Pb; M' = Zr, Hf) based on eight-fold coordinated metals: synthesis, crystal structure from single-crystal and powder diffraction data and thermal behaviour","Solid State Sciences","2007","9","","985","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528519","9.789","","14.892","","9.433","","90","","106.865","","90","","1315.98","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Cd Zr (C2 O4)3 (H2 O)3) (H2 O)","","- C6 H8 Cd O16 Zr -","- C6 Cd O16 Zr -","- C24 Cd4 O64 Zr4 -","4","1","","Gavilan, E.; Audebrand, N.; Jeanneau, E.","A new series of mixed oxalates M M'(C2 O4)3 (H2 O)3 * n(H2 O) (M = Cd, Hg, Pb; M' = Zr, Hf) based on eight-fold coordinated metals: synthesis, crystal structure from single-crystal and powder diffraction data and thermal behaviour","Solid State Sciences","2007","9","","985","999","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528521","5.7403","","5.7403","","14.0771","","90","","90","","120","","401.71","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba2 Fe0.92 Os1.08 O6","","- Ba2 Fe0.92 O6 Os1.08 -","- Ba2 Fe0.913333 O6 Os1.08667 -","- Ba6 Fe2.74 O18 Os3.26 -","3","0.25","","Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.","Synthesis and structural characterization of two new hexagonal osmates: Ba2 Fe0.92 Os1.08 O6 and Ba2 Co0.77 Os1.23 O6","Solid State Sciences","2007","9","","380","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","150900","2020-10-21","18:00:00",""
"1528522","5.7745","","5.7745","","14.0946","","90","","90","","120","","407.017","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba2 Co0.77 Os1.23 O6","","- Ba2 Co0.77 O6 Os1.23 -","- Ba2 Co0.762 O6 Os1.238 -","- Ba6 Co2.286 O18 Os3.714 -","3","0.25","","Gemmill, W.R.; Smith, M.D.; zur Loye, H.C.","Synthesis and structural characterization of two new hexagonal osmates: Ba2 Fe0.92 Os1.08 O6 and Ba2 Co0.77 Os1.23 O6","Solid State Sciences","2007","9","","380","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","150901","2020-10-21","18:00:00",""
"1528534","7.5532","","7.093","","7.4828","","90","","122.179","","90","","339.309","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu0.5 Ti O (P O4)","","- Cu0.5 O5 P Ti -","- Cu0.5 O5 P Ti -","- Cu2 O20 P4 Ti4 -","4","1","","Gravereau, P.; El Jazouli, A.; Benmokhtar, S.; Chaminade, J.P.; Denux, D.; Lebraud, E.","Jahn-Teller phase transition in Cu0.50 Ti O (P O4): Powder structural characterization of the beta-variety and thermal study","Solid State Sciences","2007","9","","258","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528535","7.119","","7.718","","7.303","","90","","119.34","","90","","349.789","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu0.5 Ti O (P O4)","","- Cu0.5 O5 P Ti -","- Cu0.5 O5 P Ti -","- Cu2 O20 P4 Ti4 -","4","1","","Gravereau, P.; Benmokhtar, S.; Lebraud, E.; Chaminade, J.P.; El Jazouli, A.; Denux, D.","Jahn-Teller phase transition in Cu0.50 Ti O (P O4): Powder structural characterization of the beta-variety and thermal study","Solid State Sciences","2007","9","","258","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528558","5.7458","","5.7458","","35.6496","","90","","90","","120","","1019.26","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La3 Na) Pt O7","","- La3 Na O7 Pt -","- La3 Na O6.99 Pt -","- La18 Na6 O41.94 Pt6 -","6","0.166667","","Hansen, T.J.; Macquart, R.B.; Smith, M.D.; zur Loye, H.C.","Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7","Solid State Sciences","2007","9","","785","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528559","5.6862","","5.6862","","34.896","","90","","90","","120","","977.126","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Nd3 Na) Pt O7","","- Na Nd3 O7 Pt -","- Na Nd3 O6.9999 Pt -","- Na6 Nd18 O41.9994 Pt6 -","6","0.166667","","Hansen, T.J.; Macquart, R.B.; Smith, M.D.; zur Loye, H.C.","Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7","Solid State Sciences","2007","9","","785","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528560","9.7993","","4.0014","","9.4905","","90","","91.759","","90","","371.956","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","La4 Pt O7","","- La4 O7 Pt -","- La4 O7 Pt -","- La8 O14 Pt2 -","2","0.25","","Hansen, T.J.; Macquart, R.B.; zur Loye, H.C.; Smith, M.D.","Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7","Solid State Sciences","2007","9","","785","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528617","6.629","","6.584","","35.916","","91.096","","94.534","","91.73","","1561.58","","","","","","","","","","","","","3","P -1","-P 1","2","","Y2 Si2 O7","","- O7 Si2 Y2 -","- O7 Si2 Y2 -","- O84 Si24 Y24 -","12","6","","Kahlenberg, V.; Kaindl, R.; Konzett, J.","eta-Y2 Si2 O7 - structural investigations on a quenchable high-pressure mixed anion silicate","Solid State Sciences","2007","9","","542","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","151098","2020-10-21","18:00:00",""
"1528717","9.56","","9.56","","9.56","","90","","90","","90","","873.723","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Na3 (U O4)","","- Na3 O4 U -","- Na3 O4 U -","- Na24 O32 U8 -","8","0.0416667","","Marcon, J.P.; de Franco, M.","Preparation et structure cristallographique du compose Na3 U O4","Revue Internationale des Hautes Temperatures et des Refractaires","1972","9","","193","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528767","7.08021","","7.23058","","7.25535","","88.7669","","84.7333","","75.9047","","358.727","","","","","","","","","","","","","4","P 1","P 1","1","","Sr1.02 Si2 O2 N2","","- N2 O2 Si2 Sr1.02 -","- N2 O2 Si2 Sr1.0295 -","- N8 O8 Si8 Sr4.118 -","4","4","","Oeckler, O.; Stadler, F.; Schnick, W.; Rosenthal, T.","Real structure of Sr Si2 O2 N2","Solid State Sciences","2007","9","","205","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","151421","2020-10-21","18:00:00",""
"1528836","7.878","","9.415","","4.731","","90","","90","","90","","350.905","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","","","- Ba Cl2 -","- Ba Cl2 -","- Ba4 Cl8 -","4","0.5","","Sahl, K.","Die Verfeinerung der Kristallstrukturen von Pb Cl2 (Cotunnit), Ba Cl2, Pb S O4 (Anglesit) und Ba S O4 (Baryt)","Beitraege zur Mineralogie und Petrographie (-11,1965)","1963","9","","111","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528837","8.516","","5.399","","6.989","","90","","90","","90","","321.339","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb (S O4)","","- O4 Pb S -","- O4 Pb S -","- O16 Pb4 S4 -","4","0.5","","Sahl, K.","Die Verfeinerung der Kristallstrukutren von Pb Cl2 (Cotunnit), Ba Cl2, Pb S O4 (Anglesit) und Ba S O4 (Baryt)","Beitraege zur Mineralogie und Petrographie (-11,1965)","1963","9","","111","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528971","7.092","","13.52","","7.166","","90","","90","","90","","687.104","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hf5 Ge4","","- Ge4 Hf5 -","- Ge4 Hf5 -","- Ge16 Hf20 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Kresse, G.; Ipser, H.; Kroupa, A.; Richter, K.W.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151858","2020-10-21","18:00:00",""
"1528972","6.973","","13.506","","7.082","","90","","90","","90","","666.964","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf4 Nb Ge4","","- Ge4 Hf4 Nb -","- Ge4 Hf4 Nb -","- Ge16 Hf16 Nb4 -","4","0.5","","Warczok, P.; Ipser, H.; Mittendorfer, F.; Kroupa, A.; Kresse, G.; Richter, K.W.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528973","6.816","","13.23","","6.96","","90","","90","","90","","627.623","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf2 Nb3 Ge4","","- Ge4 Hf2 Nb3 -","- Ge4 Hf2 Nb3 -","- Ge16 Hf8 Nb12 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Kresse, G.; Kroupa, A.; Richter, K.W.; Ipser, H.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151860","2020-10-21","18:00:00",""
"1528974","6.754","","13.197","","6.829","","90","","90","","90","","608.686","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Nb5 Ge4","","- Ge4 Nb5 -","- Ge4 Nb5 -","- Ge16 Nb20 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Kresse, G.; Kroupa, A.; Ipser, H.; Richter, K.W.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151861","2020-10-21","18:00:00",""
"1528975","6.907","","13.338","","7.024","","90","","90","","90","","647.09","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hf3 Nb2 Ge4","","- Ge4 Hf3 Nb2 -","- Ge4 Hf3 Nb2 -","- Ge16 Hf12 Nb8 -","4","0.5","","Warczok, P.; Mittendorfer, F.; Richter, K.W.; Kroupa, A.; Ipser, H.; Kresse, G.","Thermodynamic modelling of the partially ordered solid solution Hf(5-x) Nb(x) Ge4 supported by ab initio calculations","Solid State Sciences","2007","9","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","151862","2020-10-21","18:00:00",""
"1529071","12.3989","","7.1873","","11.7608","","90","","90.796","","90","","1047.96","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cr3.072 Ti1.788 Se8","","- Cr3.072 Se8 Ti1.788 -","- Cr2.061 Se4 Ti1.369 -","- Cr8.244 Se16 Ti5.476 -","4","0.5","","Wontcheu, J.; Kockelmann, W.; Huang Zhongle; Schnelle, W.; Bensch, W.","Synthesis, crystal structures, metal - atom distribution and magnetic properties of Cr(5-x) Ti(x) Se8 (x = 2, 3, 4)","Solid State Sciences","2007","9","","506","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529072","12.3728","","7.167","","11.8301","","90","","90.66","","90","","1048.97","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cr1.973 Ti2.711 Se8","","- Cr1.973 Se8 Ti2.711 -","- Cr1.3115 Se4 Ti2.0305 -","- Cr5.246 Se16 Ti8.122 -","4","0.5","","Wontcheu, J.; Kockelmann, W.; Schnelle, W.; Huang Zhongle; Bensch, W.","Synthesis, crystal structures, metal - atom distribution and magnetic properties of Cr(5-x) Ti(x) Se8 (x = 2, 3, 4)","Solid State Sciences","2007","9","","506","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529073","12.3688","","7.1688","","11.931","","90","","90.62","","90","","1057.85","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cr0.678 Ti4.03 Se8","","- Cr0.678 Se8 Ti4.03 -","- Cr0.409 Se4 Ti2.945 -","- Cr1.636 Se16 Ti11.78 -","4","0.5","","Wontcheu, J.; Kockelmann, W.; Bensch, W.; Schnelle, W.; Huang Zhongle","Synthesis, crystal structures, metal - atom distribution and magnetic properties of Cr(5-x) Ti(x) Se8 (x = 2, 3, 4)","Solid State Sciences","2007","9","","506","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529673","5.681","","5.681","","5.681","","90","","90","","90","","183.347","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Ni As S","","- As Ni S -","- As Ni S -","- As4 Ni4 S4 -","4","0.333333","","Bokii, G.B.; Tsinober, L.I.","The X-ray structure analysis of Cobaltine, Gersdorffite and Ulmanite","Trudy Instituta Kristallografii, Akademiya Nauk SSSR","1954","9","","239","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529751","2.952","","8.091","","2.989","","90","","90","","90","","71.391","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Cr3 Al B4","","- Al B4 Cr3 -","- Al B4 Cr3 -","- Al B4 Cr3 -","1","0.125","","Chaban, N.F.; Kuz'ma, Yu.B.","The triple system Cr-Al-B and Mn-Al-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","1908","1911","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530610","8.07","","6.05","","5.46","","90","","93.75","","90","","266.006","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N H3)2 Cl2 Pt","","- Cl2 H6 N2 Pt -","- Cl2 H6 N2 Pt -","- Cl4 H12 N4 Pt2 -","2","0.5","","Porai-Koshits, M.A.","The structure of the crystals of salt platinum trans-dichlorodiammine","Trudy Instituta Kristallografii, Akademiya Nauk SSSR","1954","9","","229","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530873","4.7044","","2.8301","","4.7044","","90","","96.97","","90","","62.171","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Fe Ti D1.93","","- D1.93 Fe Ti -","- D1.925 Fe Ti -","- D3.85 Fe2 Ti2 -","2","0.5","","Thompson, P.; Reilly, J.J.; Reidinger, F.; Hastings, J.M.; Corliss, L.M.","Neutron diffraction study of gamma iron titanium deuteride","Journal of Physics F","1979","9","","61","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530912","3.921","","3.921","","7.902","","90","","90","","90","","121.487","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","La0.33 Ta O3","","- La0.33 O3 Ta -","- La0.33 O3 Ta -","- La0.66 O6 Ta2 -","2","0.125","","Trunov, V.K.; Lykova, L.N.; Afonsky, N.S.","The structure of Y0.33 Ta O3 and La0.33 Ta O3","Vestnik Moskovskogo Universiteta, Khimiya","1968","9","","55","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530913","5.473","","5.365","","7.762","","90","","90","","90","","227.913","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Y0.33 Ta O3","","- O3 Ta Y0.33 -","- O3 Ta Y0.33 -","- O12 Ta4 Y1.32 -","4","0.25","","Trunov, V.K.; Lykova, L.N.; Afonsky, N.S.","The structure of Y0.33 Ta O3 and La0.33 Ta O3","Vestnik Moskovskogo Universiteta, Khimiya","1968","9","","55","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532421","12.968","","6.444","","9.818","","90","","118.27","","90","","722.59","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Fe Co (P O4) F","","- Co F Fe O4 P -","- Co F Fe O4 P -","- Co8 F8 Fe8 O32 P8 -","8","2","","Yu, Ranbo; Wang, Dan; Takei, Takahiro; Koizumi, Hitoshi; Kumada, Nobuhiro; Kinomura, Nobukazu","Crystal Structure of a Novel Iron-Cobalt Phosphate Fluoride","Journal of the Society of Inorganic Materials, Japan","2002","9","297","99","104","10.11451/mukimate2000.9.99","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532734","10.045","","10.045","","10.045","","90","","90","","90","","1013.56","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Li3 (Sc N2)","","- Li3 N2 Sc -","- Li3 N2 Sc -","- Li48 N32 Sc16 -","16","0.333333","","Niewa, R.; Leoni, S.; Zherebtsov, D.A.","Li3 (Sc N2): the first nitridoscandate(III) - tetrahedral Sc coordination and unusual M X2 framework","Chemistry - A European Journal","2003","9","","4255","4259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534179","5.56","","5.56","","16.01999","","90","","90","","120","","428.887","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Na (Bi O3)","","- Bi Na O3 -","- Bi Na O3 -","- Bi6 Na6 O18 -","6","0.333333","","Aurivillius, B.","X-ray studies on 'sodium metabismuthate'","Acta Chemica Scandinavica (1-27,1973-42,1988)","1955","9","","1219","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534482","26.785","","50.471","","27.721","","90","","94.525","","90","","37358.3","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Na14.5 H34.71 ((P2 W15 Ti3 O62)4 (Ti (O H)4)4 Cl) (H2 O)105","","- Cl H260.71 Na14.5 O369 P8 Ti16 W60 -","- Cl Na14.5 O369.11 P8 Ti16 W60 -","- Cl4 Na58 O1476.44 P32 Ti64 W240 -","4","1","","Sakai, Y.; Yoza, K.; Kato, C.N.; Nomiya, K.","Tetrameric, trititanium(IV)-substituted polyoxotungstates with an alpha-Dawson substructure as soluble metal-oxide analogues: molecular structure of the giant ""tetrapod"" ((alpha-1,2,3-P2 W15 Ti3 O62)4 (mue3-Ti(O H)3)4 Cl)(45-)","Chemistry - A European Journal","2003","9","","4077","4083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534945","9.372","","4.037","","18.71","","90","","90","","90","","707.888","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Na Hg Cl3 (H2 O)2","","- Cl3 H4 Hg Na O2 -","- Cl3 Hg Na O2 -","- Cl12 Hg4 Na4 O8 -","4","0.5","","Malcic, S.S.","Die Kristallstruktur des Natriumtrichloromerkurat(II) Dihydrats","Bulletin of the Institute of Nuclear Sciences 'Boris Kidrich'","1959","9","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535425","5.619","","5.619","","31.084","","90","","90","","120","","849.935","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Ba.638 Mg.276 Al10.724 O17","","- Al10.724 Ba0.638 Mg0.276 O17 -","- Al10.7118 Ba0.638 Mg0.2882 O17 -","- Al32.1354 Ba1.914 Mg0.8646 O51 -","3","0.166667","","Thomas, J.O.; Alden, M.; Farrington, G.C.","The relationship between structure and ionic conductivity in divalent beta-aluminas","Solid State Ionics","1983","9","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","162804","2020-10-21","18:00:00",""
"1535427","5.61","","5.61","","33.967","","90","","90","","120","","925.792","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Pb0.883 Mg0.766 Al10.234 O17","","- Al10.234 Mg0.766 O17 Pb0.883 -","- Al10.2344 Mg0.7656 O17 Pb0.884 -","- Al30.7032 Mg2.2968 O51 Pb2.652 -","3","0.166667","","Thomas, J.O.; Alden, M.; Farrington, G.C.","The relationship between structure and ionic conductivity in divalent beta-aluminas","Solid State Ionics","1983","9","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","162808","2020-10-21","18:00:00",""
"1535429","5.61","","5.61","","33.72","","90","","90","","120","","919.06","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Sr.857 Mg.714 Al10.286 O17","","- Al10.286 Mg0.714 O17 Sr0.857 -","- Al10.2861 Mg0.7139 O17 Sr0.856 -","- Al30.8583 Mg2.1417 O51 Sr2.568 -","3","0.166667","","Thomas, J.O.; Alden, M.; Farrington, G.C.","The relationship between structure and ionic conductivity in divalent beta-aluminas","Solid State Ionics","1983","9","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","162812","2020-10-21","18:00:00",""
"1535432","5.613","","5.613","","33.27","","90","","90","","120","","907.765","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Ca.950 Mg.900 Al10.100 O17","","- Al10.1 Ca0.95 Mg0.9 O17 -","- Al10.1002 Ca0.95 Mg0.8998 O17 -","- Al30.3006 Ca2.85 Mg2.6994 O51 -","3","0.166667","","Thomas, J.O.; Alden, M.; Farrington, G.C.","The relationship between structure and ionic conductivity in divalent beta-aluminas","Solid State Ionics","1983","9","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","162816","2020-10-21","18:00:00",""
"1535435","5.62","","5.62","","33.146","","90","","90","","120","","906.639","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Cd.971 Mg.942 Al10.058 O17","","- Al10.058 Cd0.971 Mg0.942 O17 -","- Al10.0584 Cd0.969 Mg0.9416 O17 -","- Al30.1752 Cd2.907 Mg2.8248 O51 -","3","0.166667","","Thomas, J.O.; Alden, M.; Farrington, G.C.","The relationship between structure and ionic conductivity in divalent beta-aluminas","Solid State Ionics","1983","9","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","162820","2020-10-21","18:00:00",""
"1535438","5.623","","5.623","","33.517","","90","","90","","120","","917.766","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Zn.865 Mg.730 Al10.270 O17","","- Al10.27 Mg0.73 O17 Zn0.865 -","- Al10.2696 Mg0.7304 O17 Zn0.866 -","- Al30.8088 Mg2.1912 O51 Zn2.598 -","3","0.166667","","Thomas, J.O.; Alden, M.; Farrington, G.C.","The relationship between structure and ionic conductivity in divalent beta-aluminas","Solid State Ionics","1983","9","","301","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","162824","2020-10-21","18:00:00",""
"1535734","4.012","","4.012","","7.501","","90","","90","","90","","120.737","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","U O Te","","- O Te U -","- O Te U -","- O2 Te2 U2 -","2","0.125","","Trzebiatowski, W.; Niemiec, J.; Sepichowska, A.","Magnetic properties of uranium tellurides. III. The preparation, crystal structure and magnetic behaviour of uraniumoxytelluride","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1961","9","","373","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535978","4.0882","","4.0882","","10.1696","","90","","90","","90","","169.968","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce Ir2 Si2 -","- Ce Ir2 Si2 -","- Ce2 Ir4 Si4 -","2","0.0625","","Niepmann, D.; Poettgen, R.","A single crystal study of alpha-(Ce Ir2 Si2), beta-(Ce Ir2 Si2) and Ce Ir1.968(5) Ge2","Intermetallics","2001","9","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535982","4.2395","","4.2395","","10.101","","90","","90","","90","","181.549","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ce Ir1.968 Ge2","","- Ce Ge2 Ir1.968 -","- Ce Ge2 Ir1.968 -","- Ce2 Ge4 Ir3.936 -","2","0.125","","Niepmann, D.; Poettgen, R.","A single crystal study of alpha-(Ce Ir2 Si2), beta-(Ce Ir2 Si2) and Ce Ir1.968(5) Ge2","Intermetallics","2001","9","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536176","16.486","","6.484","","7.076","","90","","90","","90","","756.391","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba P4 Te2 -","- Ba P4 Te2 -","- Ba4 P16 Te8 -","4","0.5","","Joergens, S.; Johrendt, D.; Mewis, A.","Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus","Chemistry - A European Journal","2003","9","","2405","2410","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536186","9.4424","","9.4424","","7.4105","","90","","90","","120","","572.194","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Bi Al Ga2 (B O3)4","","- Al B4 Bi Ga2 O12 -","- Al0.999 B4 Bi Ga2.001 O12 -","- Al2.997 B12 Bi3 Ga6.003 O36 -","3","0.166667","","Wang Shichao; Ye Ning","Nonlinear optical crystal Bi Al Ga2 (B O3)4","Solid State Sciences","2007","9","","713","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536434","10.19","","10.19","","10.624","","90","","90","","120","","955.36","","","","","","","","","","","","","3","P 3","P 3","143","","Pb5 Ge3 O11","","- Ge3 O11 Pb5 -","- Ge3 O11 Pb5 -","- Ge9 O33 Pb15 -","3","1","","Kay, M.I.; Newnham, R.E.; Wolfe, R.W.","The crystal structure of the ferroelectric phase of Pb5 Ge3 O11","Ferroelectrics","1975","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","164140","2020-10-21","18:00:00",""
"1536437","7.91288","","10.51173","","7.55593","","90","","102.001","","90","","614.75","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb2 (C2 O6)","","- C2 O6 Rb2 -","- C2 O6 Rb2 -","- C8 O24 Rb8 -","4","1","","Dinnebier, R.E.; Vensky, S.; Jansen, M.","Crystal and molecular structure of rubidium peroxodicarbonate Rb2 (C2 O6)","Chemistry - A European Journal","2003","9","","4391","4395","","","","","","","","","","","","","","","","","","","","","","has coordinates","164147","2020-10-21","18:00:00",""
"1536486","4.309","","25.481","","4.321","","90","","90","","90","","474.436","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La Se Te2 -","- La Se Te2 -","- La4 Se4 Te8 -","4","0.25","","Doert, T.; Fokwa, B.P.T.; Simon, P.; Lidin, S.; Soehnel, T.","La Se Te2 - Temperature dependent structure investigation and electron holography on a charge-density-wave-hosting compound","Chemistry - A European Journal","2003","9","","5865","5872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536810","10.494","","9.434","","5.863","","90","","108.8","","90","","549.472","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Na (V O3)","","- Na O3 V -","- Na O3 V -","- Na8 O24 V8 -","8","2","","Ramani, K.; Shaikh, A.M.; Viswamitra, M.A.; Reddy, B.S.","Crystal structure of ferroelectric sodium metavanadate, Na V O3","Ferroelectrics","1975","9","","49","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536896","12.743","","12.759","","19.77","","91.843","","93.491","","105.881","","3081.95","","","","","","","","","","","","","5","P -1","-P 1","2","","(Ti P2 W15 O55 O H)2 O28","","- H2 O140 P4 Ti2 W30 -","- O140 P4 Ti2 W30 -","- O140 P4 Ti2 W30 -","1","0.5","","Kortz, U.; Nasser, N.A.; Hamzeh, S.S.","Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates","Chemistry - A European Journal","2003","9","","2945","2952","","","","","","","","","","","","","","","","","","","","","","has coordinates","164780","2020-10-21","18:00:00",""
"1536899","25.085","","25.085","","49.367","","90","","90","","90","","31064.5","","","","","","","","","","","","","6","P -1","-P 1","2","","(Ti3 P2 W15 O57.5 (O H)3)2 O53 K2","","- H6 K2 O174 P4 Ti6 W30 -","- K2 O174 P4 Ti6 W30 -","- K2 O174 P4 Ti6 W30 -","1","0.5","","Kortz, U.; Hamzeh, S.S.; Nasser, N.A.","Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates","Chemistry - A European Journal","2003","9","","2945","2952","","","","","","","","","","","","","","","","","","","","","","has coordinates","164784","2020-10-21","18:00:00",""
"1537674","9.62","","9.62","","4.9","","90","","90","","90","","453.468","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Mo5 Si3 -","- Mo5 Si3 -","- Mo20 Si12 -","4","0.125","","Aronsson, B.","The crystal structure of Mo5 Si3 and W5 Si3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1955","9","","1107","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537677","10.018","","10.018","","5.072","","90","","90","","90","","509.028","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Nb5 Si3 -","- Nb5 Si3 -","- Nb20 Si12 -","4","0.125","","Aronsson, B.","The crystal structure of Mo5 Si3 and W5 Si3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1955","9","","1107","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537727","8.064","","8.064","","6.833","","90","","90","","90","","444.337","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- In Se2 Tl -","- In Se2 Tl -","- In4 Se8 Tl4 -","4","0.125","","Banys, J.; Guseinov, G.; Wondre, F.R.","Powder diffraction study of Tl Ga Te2, Tl In Te2 and Tl In Se2","Materials Letters","1990","9","","269","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537729","8.478","","8.478","","7.1855","","90","","90","","90","","516.468","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- In Te2 Tl -","- In Te2 Tl -","- In4 Te8 Tl4 -","4","0.125","","Banys, J.; Wondre, F.R.; Guseinov, G.","Powder diffraction study of Tl Ga Te2, Tl In Te2 and Tl In Se2","Materials Letters","1990","9","","269","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538030","6.238","","6.238","","6.238","","90","","90","","90","","242.737","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Pt3 O4","","- O4 Pt3 -","- O4 Pt3 -","- O8 Pt6 -","2","0.0416667","","Galloni, E.E.; Roffo, A.E.jr.","The crystalline structure of Pt3 O4","Journal of Chemical Physics","1941","9","","875","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","166436","2020-10-21","18:00:00",""
"1538077","4.5526","","4.5526","","4.5526","","90","","90","","90","","94.358","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Lu -","- In3 Lu -","- In3 Lu -","1","0.0208333","","Harris, I.R.; Raynor, G.V.","Rare earth intermediate phases I. Phases formed with tin and indium","Journal of the Less-Common Metals","1965","9","","7","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538079","4.6972","","4.6972","","4.6972","","90","","90","","90","","103.638","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Th -","- In3 Th -","- In3 Th -","1","0.0208333","","Harris, I.R.; Raynor, G.V.","Rare earth intermediate phases I. Phases formed with tin and indium","Journal of the Less-Common Metals","1965","9","","7","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538121","19.78","","19.78","","19.78","","90","","90","","90","","7738.89","","","","","","","","","","","","","2","F 2 3","F 2 2 3","196","","","","- Li22 Si5 -","- Li22 Si5 -","- Li352 Si80 -","16","0.333333","","Gladyshevskii, E.I.; Oleksiv, G.I.; Kripyakevich, P.I.","New examples of the structural type Li22 Pb5","Kristallografiya","1964","9","","338","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538123","18.75","","18.75","","18.75","","90","","90","","90","","6591.8","","","","","","","","","","","","","2","F 2 3","F 2 2 3","196","","","","- Li22 Si5 -","- Li22 Si5 -","- Li352 Si80 -","16","0.333333","","Gladyshevskii, E.I.; Oleksiv, G.I.; Kripyakevich, P.I.","New examples of the structural type Li22 Pb5","Soviet Physics, Crystallography (= Kristallografiya)","1964","9","","269","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538160","2.7589","","2.7589","","4.4516","","90","","90","","120","","29.344","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mn Zn3)0.5","","- Mn0.5 Zn1.5 -","- Mn0.5 Zn1.5 -","- Mn0.5 Zn1.5 -","1","0.0416667","","Henderson, B.; Willcox, R.J.M.","Lattice spacing relationships in hexagonal close-packed silcer-zinc-manganese alloys","Philosophical Magazine, Serie 6 (1901-1925)","1964","9","","829","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","166590","2020-10-21","18:00:00",""
"1538186","3.845","","3.845","","3.845","","90","","90","","90","","56.845","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Sm -","- Mg Sm -","- Mg Sm -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. MX compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538189","3.796","","3.796","","3.796","","90","","90","","90","","54.699","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Tb -","- Mg Tb -","- Mg Tb -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. MX compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538245","8.927","","8.927","","8.927","","90","","90","","90","","711.404","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Pr3 Se4 -","- Pr3 Se4 -","- Pr12 Se16 -","4","0.0833333","","Guittard, M.; Benacerrat, A.; Flahaut, J.","Les seleniures L2 Se3 et L3 Se4 des elements des terres rares","Annales de Chimie (Paris)","1964","9","","25","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538247","8.894","","8.894","","8.894","","90","","90","","90","","703.544","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Sm3 Se4","","- Se4 Sm3 -","- Se4 Sm3 -","- Se16 Sm12 -","4","0.0833333","","Guittard, M.; Benacerrat, A.; Flahaut, J.","Les seleniures L2 Se3 et L3 Se4 des elements des terres rares","Annales de Chimie (Paris)","1964","9","","25","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","166685","2020-10-21","18:00:00",""
"1538553","8.19","","8.19","","8.19","","90","","90","","90","","549.353","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Nb6 F15","","- F15 Nb6 -","- F15 Nb6 -","- F30 Nb12 -","2","0.0208333","","Schaefer, H.; von Schnering, H.G.; Niehues, K.J.; Nieder Vahrenholz, H.G.","Beitraege zur Chemie der Elemente Niob und Tantal. XLVII. Niobfluoride","Journal of the Less-Common Metals","1965","9","","95","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","167199","2020-10-21","18:00:00",""
"1538729","4.105","","4.105","","4.105","","90","","90","","90","","69.173","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Pu -","- Pd3 Pu -","- Pd3 Pu -","1","0.0208333","","Nellis, W.J.; Harvey, A.R.; Lander, G.H.; Dunlap, B.D.; Davidson, G.R.; Reddy, J.F.; Brodsky, M.B.; Mueller, M.H.","Magnetic properties of Np Pd3 and Pu Pd3 intermetallic compounds","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","9","","1041","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539085","7.05","","7.05","","10.23","","90","","90","","90","","508.457","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(N H4) (Mn Cl3)","","- Cl3 H4 Mn N -","- Cl3 Mn N -","- Cl12 Mn4 N4 -","4","0.5","","Shachar, G.; Makovsky, J.; Shaked, H.","Neutron diffraction and magnetic measurements of polycrystalline N H4 Mn Cl3","Solid State Communications","1971","9","","493","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539154","3.1554","","3.1554","","3.1554","","90","","90","","90","","31.417","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Mo W -","- Mo W -","- Mo W -","1","0.0104167","","Taylor, A.; Doyle, N.J.","The constitution diagram of the tungsten-molybdenum-osmium system","Journal of the Less-Common Metals","1965","9","","190","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539291","4.006","","4.006","","4.006","","90","","90","","90","","64.288","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pd Ta -","- Pd Ta -","- Pd2 Ta2 -","2","0.0104167","","Waterstrat, R.M.; Giessen, B.C.; Koch, R.; Manuszewski, R.C.","The tantalum-palladium constitution diagram","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1978","9","","643","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539328","3.346","","3.346","","21.02","","90","","90","","120","","203.805","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Na V S2","","- Na S2 V -","- Na S2 V -","- Na3 S6 V3 -","3","0.166667","","Wiegers, G.A.; Kloosterboer, H.J.; van Heiningen, H.; van der Meer, R.; Alberink, A.J.A.","The sodium intercalates of vanadium disulfide and their hydrolysis products","Materials Research Bulletin","1974","9","","1261","1261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539447","6.702","","6.702","","6.702","","90","","90","","90","","301.032","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ni5 Zr -","- Ni5 Zr -","- Ni20 Zr4 -","4","0.0416667","","Smith, E.; Guard, R.W.","Investigation of the nickel-rich portion of the system Ni-Zr.","Journal of Metals","1957","9","","1189","1190","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539454","9.343","","9.343","","9.343","","90","","90","","90","","815.566","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","","","- La5.334 Se4 Te4 -","- La5.334 Se4 Te4 -","- La10.668 Se8 Te8 -","2","0.0416667","","Sokolov, V.V.; Kravchenko, L.Kh.; Kamarzin, A.A.","The system La2 Te3 - La2 Se3","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1973","9","","944","946","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539494","5.763","","5.763","","5.763","","90","","90","","90","","191.402","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr S -","- Pr S -","- Pr4 S4 -","4","0.0208333","","Zhuravlev, N.N.; Stepanova, A.A.; Shebatinov, M.P.","X-ray determination of the thermal expansion coefficients of La S, Ce S, Pr S, and Nd S","Soviet Physics, Crystallography (= Kristallografiya)","1964","9","","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539498","5.715","","5.715","","5.715","","90","","90","","90","","186.659","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd S -","- Nd S -","- Nd4 S4 -","4","0.0208333","","Zhuravlev, N.N.; Stepanova, A.A.; Shebatinov, M.P.","X-ray determination of the thermal expansion coefficients of La S, Ce S, Pr S, and Nd S","Soviet Physics, Crystallography (= Kristallografiya)","1964","9","","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539602","9.429","","9.429","","4.756","","90","","90","","90","","422.837","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","V5 Si3","","- Si3 V5 -","- Si3 V5 -","- Si12 V20 -","4","0.125","","Aronsson, B.","The crystal structure of Mo5 Si3 and W5 Si3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1955","9","","1107","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","168558","2020-10-21","18:00:00",""
"1539628","12.8013","","12.8013","","21.4119","","90","","90","","120","","3038.74","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","(Na17.28 K4.72 Ca2) Ca8 (Si24 Al24 O96) (S O4)6 Cl5.8 F0.18","","- Al24 Ca10 Cl5.8 F0.18 K4.72 Na17.28 O120 S6 Si24 -","- Al24 Ca10.004 Cl5.8 F0.18 K4.716 Na17.28 O119.999 S6 Si24 -","- Al24 Ca10.004 Cl5.8 F0.18 K4.716 Na17.28 O119.999 S6 Si24 -","1","0.166667","","Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.","Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si, Al ordering","European Journal of Mineralogy (1,1989-)","1997","9","","21","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","168597","2020-10-21","18:00:00",""
"1540130","3.576","","3.576","","3.576","","90","","90","","90","","45.729","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tb Zn -","- Tb Zn -","- Tb Zn -","1","0.0208333","","Iandelli, A.; Palenzona, A.","Atomic size of rare earths in intermetallic compounds. MX compounds of Cs Cl type","Journal of the Less-Common Metals","1965","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540137","9.2247","","4.4823","","17.8706","","90","","90","","90","","738.911","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd Se3 -","- Ba2 Cd Se3 -","- Ba8 Cd4 Se12 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540138","8.9145","","4.3356","","17.2439","","90","","90","","90","","666.472","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd S3 -","- Ba2 Cd S3 -","- Ba8 Cd4 S12 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540139","7.2781","","4.167","","13.9189","","90","","90","","90","","422.13","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cd S2 -","- Ba Cd S2 -","- Ba4 Cd4 S8 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540140","9.3081","","4.0612","","10.4084","","90","","90","","90","","393.459","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 S2 -","- Ba Cu2 S2 -","- Ba4 Cu8 S8 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2 Cd S3, Ba2 Cd S3, Ba Cd S2, Ba Cu2 S2 and Ba Cu2 Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540141","9.5944","","4.2142","","10.7748","","90","","90","","90","","435.654","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 Se2 -","- Ba Cu2 Se2 -","- Ba4 Cu8 Se8 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","Structural chemistry of Ba2CdS3, Ba2CdS3, BaCdS2, BaCu2S2 and BaCu2Se2","Journal of Solid State Chemistry","1974","9","","6","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540212","4.872","","10.669","","14.287","","100.3","","90","","90","","730.662","","","","","","","","","","","","","5","P 21/b 1 1","-P 2xab","14","","(Mn8.12 Mg0.9) (Si O4)4 (O H)2","","- H2 Mg0.9 Mn8.12 O18 Si4 -","- H2 Mg0.88 Mn8.12 O18 Si4 -","- H4 Mg1.76 Mn16.24 O36 Si8 -","2","0.5","","Kato, T.; Ito, Y.; Hashimoto, N.","The crystal structures of sonolite and jerrygibbsite","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1989","9","","410","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540235","12.243","","12.243","","12.243","","90","","90","","90","","1835.12","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag9 Tl3 (Al12 Si12 O48)","","- Ag9 Al12 O48 Si12 Tl3 -","- Ag9.0002 Al12 O48 Si12 Tl3 -","- Ag9.0002 Al12 O48 Si12 Tl3 -","1","0.0208333","","Kim Duk-Soo; Song Seong-Hwan; Kim Yang","Four crystal structures of dehydrated Ag+ and Tl+ Exchanged Zeolite A, Ag(12-x) Tl(x) - A, x=2, 3, 4, and 5","Bulletin of the Korean Chemical Society","1988","9","","303","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","169472","2020-10-21","18:00:00",""
"1540236","12.263","","12.263","","12.263","","90","","90","","90","","1844.12","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag7 Tl5 (Al12 Si12 O48)","","- Ag7 Al12 O48 Si12 Tl5 -","- Ag7.0002 Al12 O48 Si12 Tl5 -","- Ag7.0002 Al12 O48 Si12 Tl5 -","1","0.0208333","","Kim Duk-Soo; Song Seong-Hwan; Kim Yang","Four crystal structures of dehydrated Ag+ and Tl+ Exchanged Zeolite A, Ag(12-x) Tl(x) - A, x=2, 3, 4, and 5","Bulletin of the Korean Chemical Society","1988","9","","303","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","169474","2020-10-21","18:00:00",""
"1540533","10.4376","0.0008","5.7148","0.0004","15.9916","0.0011","90","","102.543","0.002","90","","931.11","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O6 U -","- C16 H22 N4 O6 U -","- C32 H44 N8 O12 U2 -","2","0.5","","Abney, C. W.; Mayes, R. T.; Piechowicz, M.; Lin, Z.; Bryantsev, V. S.; Veith, G. M.; Dai, S.; Lin, W.","XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies","Energy Environ. Sci.","2016","9","2","448","","10.1039/C5EE02913A","","","0.71073","MoKα","","0.0613","0.0288","","","0.0485","0.055","","","","","","1.043","","","","has coordinates","177877","2020-10-21","18:00:00",""
"1540676","19.866","0.004","20.099","0.004","13.362","0.003","90","","90.6","0.03","90","","5335","1.9","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Slicalite-1","","","- O48 Si24 -","- O48 Si24 -","- O192 Si96 -","4","1","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.66999","synchrotron","","0.1206","0.1053","","","0.2917","0.3011","","","","","","1.15","","","","has coordinates","181746","2020-10-21","18:00:00",""
"1540677","20.1","0.004","19.912","0.004","13.386","0.003","90","","90","","90","","5357.5","1.9","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","I2@SL-1","Iodine silicalite-1","","- I24 O192 Si96 -","- I23.9872 O192 Si96 -","- I23.9872 O192 Si96 -","1","0.125","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.67","synchrotron","","0.0926","0.0616","","","0.1559","0.1716","","","","","","1.027","","","","has coordinates,has disorder","181746","2020-10-21","18:00:00",""
"1540678","13.354","0.003","20.087","0.004","19.868","0.004","90","","90.72","0.03","90","","5329","1.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","I2@SL-1","Iodine Silicalte-1","","- I24 O192 Si96 -","- I24 O192 Si96 -","- I24 O192 Si96 -","1","0.25","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.7","synchrotron","","0.1354","0.1293","","","0.3674","0.372","","","","","","1.039","","","","has coordinates,has disorder","181746","2020-10-21","18:00:00",""
"1540679","13.347","0.003","20.082","0.004","19.827","0.004","90","","90.84","0.03","90","","5313.7","1.9","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Silicalite-1","Silicalite-1","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.25","","Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung","Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite","Energy Environ. Sci.","2016","9","3","1050","","10.1039/C5EE02843D","","","0.7","synchrotron","","0.1273","0.1199","","","0.3915","0.3963","","","","","","1.135","","","","has coordinates","181746","2020-10-21","18:00:00",""
"1540702","7.7728","0.0004","8.7954","0.0006","13.4794","0.0007","81.826","0.004","79.433","0.003","64.156","0.002","813.27","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","In(DMSO)3Cl3","trichlorotris(dimethyl sulfoxide)indium(III)","","- C6 H18 Cl3 In O3 S3 -","- C6 H18 Cl3 In O3 S3 -","- C12 H36 Cl6 In2 O6 S6 -","2","1","","Uhl, A. R.; Katahara, J. K.; Hillhouse, H. W.","Molecular-ink route to 13.0% efficient low-bandgap CuIn(S,Se)2and 14.7% efficient Cu(In,Ga)(S,Se)2solar cells","Energy Environ. Sci.","2016","9","1","130","","10.1039/C5EE02870A","","","0.71073","MoKα","","0.0461","0.0348","","","0.0684","0.0715","","","","","","1.07","","","","has coordinates","176119","2020-10-21","18:00:00",""
"1540724","9.43","0.0019","4.738","0.0009","18.556","0.004","90","","91.27","0.03","90","","828.9","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O4 -","- C15 H24 N4 O4 -","- C30 H48 N8 O8 -","2","1","","Beckmann, Sabrina; Welte, Cornelia; Li, Xiaomin; Oo, Yee M.; Kroeninger, Lena; Heo, Yooun; Zhang, Miaomiao; Ribeiro, Daniela; Lee, Matthew; Bhadbhade, Mohan; Marjo, Christopher E.; Seidel, Jan; Deppenmeier, Uwe; Manefield, Mike","Novel phenazine crystals enable direct electron transfer to methanogens in anaerobic digestion by redox potential modulation","Energy Environ. Sci.","2016","9","2","644","","10.1039/C5EE03085D","","","0.71073","MoKα","","0.2255","0.2218","","","0.4964","0.5053","","","","","","2.728","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541232","7.182","","7.42","","12.671","","90","","90","","90","","675.243","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd2 Ge As4","","- As4 Cd2 Ge -","- As4 Cd2 Ge -","- As16 Cd8 Ge4 -","4","0.5","","Mikkelsen, J.C.Jr.; Hong, H.Y.-P.","Cd2 Ge As4: A new ternary phase in the Cd1b Ge1b As system","Materials Research Bulletin","1974","9","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541283","4.111","","4.111","","25.036","","90","","90","","120","","366.43","","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Al4.2 Cu3.2 Zn0.7 -","- Al4.2 Cu3.2 Zn0.7 -","- Al12.6 Cu9.6 Zn2.1 -","3","0.333333","","Murphy, S.","The Structure of the T' Phase in the System Al-Cu-Zn","Metal Science","1975","9","1","163","168","10.1179/030634575790444414","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541521","8.771","","8.771","","8.771","","90","","90","","90","","674.757","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Mn2 Mn0.1 Sn0.9 O4","","- Mn2.1 O4 Sn0.9 -","- Mn2.1 O4 Sn0.9 -","- Mn16.8 O32 Sn7.2 -","8","0.0416667","","Nogues, M.; Poix, P.","Effet Jahn-Teller cooperatif dans le systeme Mn3 O4 - Mn2 Sn O4","Journal of Solid State Chemistry","1974","9","","330","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541537","10.43","","10.43","","10.43","","90","","90","","90","","1134.63","","","","","","","","","","","","","20","F d -3 m :1","F 4d 2 3 -1d","227","","(Na2.35 Ca11.01 Sr0.14 Mn0.032 Mg0.11 Ce1.36 La0.27 Nd0.34 Y0.016 U0.064 Th0.13 Te0.016) (Nb11.62 Ta0.3 Ti2.85 Zr0.24 Fe0.75) O49.25 (O H)0.41 F6.34","","- Ca11.01 Ce1.36 F6.34 Fe0.75 H0.41 La0.27 Mg0.11 Mn0.032 Na2.35 Nb11.62 Nd0.34 O49.66 Sr0.14 Ta0.3 Te0.016 Th0.13 Ti2.85 U0.064 Y0.016 Zr0.24 -","- Ca11.008 Ce1.36 F6.344 Fe0.752 La0.272 Mg0.112 Mn0.032 Na2.352 Nb11.616 Nd0.336 O49.656 Sr0.144 Ta0.304 Te0.016 Th0.128 Ti2.848 U0.064 Y0.016 Zr0.24 -","- Ca11.008 Ce1.36 F6.344 Fe0.752 La0.272 Mg0.112 Mn0.032 Na2.352 Nb11.616 Nd0.336 O49.656 Sr0.144 Ta0.304 Te0.016 Th0.128 Ti2.848 U0.064 Y0.016 Zr0.24 -","1","0.00520833","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.","Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541538","10.393","","10.393","","10.393","","90","","90","","90","","1122.59","","","","","","","","","","","","","17","F d -3 m :1","F 4d 2 3 -1d","227","","(Na5.06 Ca9.35 Sr0.096 Mn0.016 Ce1.38 La0.21 Nd0.19 Y0.032) (Nb12.7 Ta0.11 Ti2.24 Zr0.16 Sn0.048 Fe0.59) O49.04 (O H)0.61 F6.37","","- Ca9.35 Ce1.38 F6.37 Fe0.59 H0.61 La0.21 Mn0.016 Na5.06 Nb12.7 Nd0.19 O49.65 Sn0.048 Sr0.096 Ta0.11 Ti2.24 Y0.032 Zr0.16 -","- Ca9.344 Ce1.376 F6.368 Fe0.592 La0.208 Mn0.016 Na5.056 Nb12.704 Nd0.192 O49.632 Sn0.048 Sr0.096 Ta0.112 Ti2.24 Y0.032 Zr0.16 -","- Ca9.344 Ce1.376 F6.368 Fe0.592 La0.208 Mn0.016 Na5.056 Nb12.704 Nd0.192 O49.632 Sn0.048 Sr0.096 Ta0.112 Ti2.24 Y0.032 Zr0.16 -","1","0.00520833","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.","Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541539","10.428","","10.428","","10.428","","90","","90","","90","","1133.97","","","","","","","","","","","","","19","F d -3 m :1","F 4d 2 3 -1d","227","","(Na5.04 Ca9.56 Sr0.22 Mn0.016 Mg0.4 Ce0.7 La0.13 Nd0.33 Y0.016 Th0.34 Te0.016) (Nb12.98 Ta0.048 Ti1.99 Zr0.5 Fe0.41) O50.67 (O H)1.2 F3.44","","- Ca9.56 Ce0.7 F3.44 Fe0.41 H1.2 La0.13 Mg0.4 Mn0.016 Na5.04 Nb12.98 Nd0.33 O51.87 Sr0.22 Ta0.048 Te0.016 Th0.34 Ti1.99 Y0.016 Zr0.5 -","- Ca9.568 Ce0.704 F3.44 Fe0.416 La0.128 Mg0.4 Mn0.016 Na5.04 Nb12.976 Nd0.336 O51.872 Sr0.224 Ta0.048 Te0.016 Th0.336 Ti1.984 Y0.016 Zr0.496 -","- Ca9.568 Ce0.704 F3.44 Fe0.416 La0.128 Mg0.4 Mn0.016 Na5.04 Nb12.976 Nd0.336 O51.872 Sr0.224 Ta0.048 Te0.016 Th0.336 Ti1.984 Y0.016 Zr0.496 -","1","0.00520833","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.","Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541540","10.3947","","10.3947","","10.3947","","90","","90","","90","","1123.15","","","","","","","","","","","","","17","F d -3 m :1","F 4d 2 3 -1d","227","","(Na2.10 Ca11.21 Sr0.08 Mn0.128 Ce1.67 La0.23 Nd0.23 Y0.064 U0.064) (Nb11.29 Ta0.5 Ti2.53 Zr1.05 Fe0.75) O51.27 (O H)1.26 F3.59","","- Ca11.21 Ce1.67 F3.59 Fe0.75 H1.26 La0.23 Mn0.128 Na2.1 Nb11.29 Nd0.23 O52.53 Sr0.08 Ta0.5 Ti2.53 U0.064 Y0.064 Zr1.05 -","- Ca11.216 Ce1.664 F3.592 Fe0.752 La0.224 Mn0.128 Na2.096 Nb11.296 Nd0.224 O52.536 Sr0.08 Ta0.496 Ti2.528 U0.064 Y0.064 Zr1.056 -","- Ca11.216 Ce1.664 F3.592 Fe0.752 La0.224 Mn0.128 Na2.096 Nb11.296 Nd0.224 O52.536 Sr0.08 Ta0.496 Ti2.528 U0.064 Y0.064 Zr1.056 -","1","0.00520833","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.","Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541542","10.4205","","10.4205","","10.4205","","90","","90","","90","","1131.53","","","","","","","","","","","","","15","F d -3 m :1","F 4d 2 3 -1d","227","","(Na5.91 Ca8.44 Sr0.27 Ce0.3 La0.064 Nd0.064 Y0.048 Th0.016) (Nb14.84 Ti0.97 Zr0.14 Fe0.21) O48 (O H)0.73 F7.27","","- Ca8.44 Ce0.3 F7.27 Fe0.21 H0.73 La0.064 Na5.91 Nb14.84 Nd0.064 O48.73 Sr0.27 Th0.016 Ti0.97 Y0.048 Zr0.14 -","- Ca8.448 Ce0.304 F7.272 Fe0.208 La0.064 Na5.904 Nb14.848 Nd0.064 O48.728 Sr0.272 Th0.016 Ti0.976 Y0.048 Zr0.144 -","- Ca8.448 Ce0.304 F7.272 Fe0.208 La0.064 Na5.904 Nb14.848 Nd0.064 O48.728 Sr0.272 Th0.016 Ti0.976 Y0.048 Zr0.144 -","1","0.00520833","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q.","Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541595","9.918","","9.918","","9.918","","90","","90","","90","","975.601","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Cu0.5 Ga0.5 Cr2 S4","","- Cr2 Cu0.5 Ga0.5 S4 -","- Cr2 Cu0.5 Ga0.5 S4 -","- Cr16 Cu4 Ga4 S32 -","8","0.0416667","","Wilkinson, C.; Knapp, B.M.; Forsyth, J.B.","The magnetic structure of Cu0.5 Ga0.5 Cr3 S4","Journal of Physics C","1976","9","","4021","4033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541627","11.431","","11.431","","11.431","","90","","90","","90","","1493.66","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K Yb3 F10","","- F10 K Yb3 -","- F10 K Yb3 -","- F80 K8 Yb24 -","8","0.0416667","","Labeau, M.; Cousseins, J.C.; Aleonard, S.; Boutonnet, R.; Vedrine, A.","Etude du systeme K F - Yb F3","Materials Research Bulletin","1974","9","","615","624","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541660","12.016","","12.016","","12.016","","90","","90","","90","","1734.92","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Ni3 (B7 O13 I)","","- B7 I Ni3 O13 -","- B7 I Ni3 O13 -","- B56 I8 Ni24 O104 -","8","0.0833333","","Thornley, F.R.; Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of boracites: IV. Thermal motion in cubic Ni3 B7 O13 I at 77","Journal of Physics C","1976","9","","681","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541802","9.151","","12.097","","6.723","","104.52","","112.39","","104.05","","616.746","","","","","","","","","","","","","4","P -1","-P 1","2","","(Y (N O3)3 (H2 O)4) (H2 O)2","","- H12 N3 O15 Y -","- H12 N3 O15 Y -","- H24 N6 O30 Y2 -","2","1","","Ribar, B.; Milinski, N.; Budovalcev, Z.; Krstanovic, I.","Tetraaquatri(nitrato)yttrium(III) dihydrate, Y (H2 O)4 (N O3)3 * 2 H2 O","Crystal Structure Communications","1980","9","","203","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541814","6.68","","6.68","","6.68","","90","","90","","90","","298.078","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","Ta2 O","","- O Ta2 -","- O Ta2 -","- O8 Ta16 -","8","0.166667","","Steeb, S.; Renner, J.","Ermitllung der Struktur des Tantalsuboxyds Ta Oz (Ta2 O) mittels Elektronenbeugung","Journal of the Less-Common Metals","1965","9","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541865","8.886","","10.671","","6.612","","78.76","","102.19","","92.08","","601.068","","","","","","","","","","","","","4","P -1","-P 1","2","","(Ce (N O3)3 (H2 O)5) (H2 O)","","- Ce H12 N3 O15 -","- Ce H12 N3 O15 -","- Ce2 H24 N6 O30 -","2","1","","Milinski, N.; Ribar, B.; Sataric, M.","Pentaaquatrinitratocerium(III) monohydrate, Ce (H2 O)5 (N O3)3 * H2 O","Crystal Structure Communications","1980","9","","473","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542067","7.4","","14.4","","7.05","","90","","90","","90","","751.248","","","","","","","","","","","","","5","P b m 2","P 2 -2b","28","","Na2 Zr (Si6 O15) (H2 O)3","","- H6 Na2 O18 Si6 Zr -","- Na2 O18 Si6 Zr -","- Na4 O36 Si12 Zr2 -","2","0.5","","Neronova, N.N.; Belov, N.V.","Crystal structure of elpidite, Na2 Zr (Si6 O15) (H2 O)3","Kristallografiya","1964","9","","828","834","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542099","5.23","","5.23","","23.81999","","90","","90","","120","","564.255","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Pb2 O (C O3) (H2 O)2","","- C H4 O6 Pb2 -","- C O6 Pb2 -","- C3 O18 Pb6 -","3","0.166667","","Voronova, A.A.; Vainshtein, B.K.","An electron-diffraction study of the crystal structure of Pb C O3 Pb O (H2 O)2","Kristallografiya","1964","9","","197","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542108","3.85","","3.85","","12.25","","90","","90","","90","","181.576","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Bi2 O2.7 -","- Bi2 O2.7 -","- Bi4 O5.4 -","2","0.0625","","Zav'yalova, A.A.; Imamov, R.M.; Pinsker, Z.G.","An electron diffraction study of thin films in the Bi-O system","Kristallografiya","1964","9","","857","863","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542154","4.678","","4.678","","9.147","","90","","90","","90","","200.17","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Fe (Fe.25 Ta.75)2 O6","","- Fe1.5 O6 Ta1.5 -","- Fe1.5 O6 Ta1.5 -","- Fe3 O12 Ta3 -","2","0.125","","Norlund Christensen, A.; Johansson, T.; Lebech, B.","Magnetic properties and structure of chromium niobium oxide and iron tantalum oxide","Journal of Physics C","1976","9","","2601","2610","","","","","","","","","","","","","","","","","","","","","","has coordinates","174176","2020-10-21","18:00:00",""
"1542167","13.267","","9.842","","6.844","","90","","90","","90","","893.647","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Os N Cl5","","- Cl5 K2 N Os -","- Cl5 K2 N Os -","- Cl20 K8 N4 Os4 -","4","0.5","","Atovmyan, L.O.; Tkachev, V.V.","Crystal structure of a new modification of K2 Os N Cl5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1968","9","","708","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542187","11.922","","3.68","","10.138","","90","","100.87","","90","","436.804","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V6 O13","","- O13 V6 -","- O13 V6 -","- O26 V12 -","2","0.25","","Dernier, P.D.","Structural Investigation of the Metal-Insulator Transition in V6 O13","Materials Research Bulletin","1974","9","","955","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","174234","2020-10-21","18:00:00",""
"1543238","19.217","0.007","3.6996","0.0014","6.529","0.002","90","","109.056","0.004","90","","438.7","0.3","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lithium Tin Sulfide","","- Li5.05 S12 Sn4.74 -","- Li5.046 S12 Sn4.738 -","- Li5.046 S12 Sn4.738 -","1","0.125","","Holzmann, T.; Schoop, L. M.; Ali, M. N.; Moudrakovski, I.; Gregori, G.; Maier, J.; Cava, R. J.; Lotsch, B. V.","Li0.6[Li0.2Sn0.8S2] ‒ a layered lithium superionic conductor","Energy Environ. Sci.","2016","9","8","2578","","10.1039/C6EE00633G","","","0.71073","MoKα","","0.041","0.0241","","","","0.0664","","","","","","1.025","","","","has coordinates","185551","2020-10-21","18:00:00",""
"1543249","10.9099","0.0005","10.9099","0.0005","10.9099","0.0005","90","","90","","90","","1298.56","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd3.7 Ge42.3 Rb8 -","- Cd3.666 Ge42.334 Rb8 -","- Cd3.666 Ge42.334 Rb8 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.0232","0.0178","","","0.0365","0.0386","","","","","","1.064","","","","has coordinates","182554","2020-10-21","18:00:00",""
"1543250","10.871","0.0004","10.871","0.0004","10.871","0.0004","90","","90","","90","","1284.72","0.08","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd3.8 Ge42.2 K8 -","- Cd3.774 Ge42.226 K8 -","- Cd3.774 Ge42.226 K8 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.0241","0.0182","","","0.0359","0.0378","","","","","","1.156","","","","has coordinates","182555","2020-10-21","18:00:00",""
"1543251","10.9643","0.0007","10.9643","0.0007","10.9643","0.0007","90","","90","","90","","1318.08","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd3.6 Cs7.8 Ge42.4 -","- Cd3.642 Cs7.796 Ge42.358 -","- Cd3.642 Cs7.796 Ge42.358 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.018","0.0138","","","0.0298","0.0314","","","","","","1.116","","","","has coordinates","182556","2020-10-21","18:00:00",""
"1543252","10.9643","0.0007","10.9643","0.0007","10.9643","0.0007","90","","90","","90","","1318.08","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cd4 Cs8 Ge42 -","- Cd3.864 Cs8 Ge42.136 -","- Cd3.864 Cs8 Ge42.136 -","1","0.0208333","","Schäfer, Marion; Bobev, Svilen","Synthesis and Structural Characterization of the New Clathrates K8Cd4Ge42, Rb8Cd4Ge42, and Cs8Cd4Ge42","Materials","2016","9","4","236","","10.3390/ma9040236","","","0.71073","MoKα","","0.0247","0.0205","","","0.0518","0.0539","","","","","","1.176","","","","has coordinates","182557","2020-10-21","18:00:00",""
"1543265","12.422","0.004","16.732","0.006","18.496","0.006","106.88","0.005","94.237","0.003","108.521","0.003","3429","2","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","compound 2","","- C102.5 H38 O4 S7 -","- C102.5 H38 O4 S7 -","- C205 H76 O8 S14 -","2","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1248","0.1046","","","0.279","0.2971","","","","","","1.14","","","","has coordinates,has disorder","185550","2020-10-21","18:00:00",""
"1543266","14.1171","0.0005","17.2567","0.0007","18.6353","0.0006","101.068","0.003","102.967","0.003","96.525","0.003","4283.1","0.3","100.03","0.17","100.03","0.17","","","","","","","","3","P -1","-P 1","2","","compound 3","","- C110 H56 O8 -","- C110 H56 O8 -","- C220 H112 O16 -","2","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1302","0.0745","","","0.2014","0.2242","","","","","","1.023","","","","has coordinates","185550","2020-10-21","18:00:00",""
"1543267","23.316","0.007","10.157","0.003","17.402","0.005","90","","98.718","0.005","90","","4074","2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","e-PPMF","","- C77 H16 O2.6 -","- C77 H16 O2.618 -","- C308 H64 O10.472 -","4","1","","Xiao, Zuo; Geng, Xinjian; He, Dan; Jia, Xue; Ding, Liming","Development of isomer-free fullerene bisadducts for efficient polymer solar cells","Energy Environ. Sci.","2016","9","6","2114","","10.1039/C6EE01026A","","","0.71073","MoKα","","0.1307","0.1015","","","0.2375","0.2523","","","","","","1.438","","","","has coordinates,has disorder","185550","2020-10-21","18:00:00",""
"1543846","16.54064","0.00005","16.54064","0.00005","16.54064","0.00005","90","","90","","90","","4525.4","0.02","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu36.152 Eu7 Ni7.848 -","- As23 Cu36.168 Eu7 Ni7.832 -","- As92 Cu144.672 Eu28 Ni31.328 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0158","0.0155","","0.0211","0.021","","","","1.81","","","","","","","has coordinates","185028","2020-10-21","18:00:00",""
"1543847","16.64867","0.00018","16.64867","0.00018","16.64867","0.00018","90","","90","","90","","4614.65","0.09","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As23 Cu44 Eu7 -","- As23 Cu44 Eu7 -","- As92 Cu176 Eu28 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0368","0.036","","0.0426","0.0425","","","","2.39","","","","","","","has coordinates","185029","2020-10-21","18:00:00",""
"1543848","16.54206","0.00016","16.54206","0.00016","16.54206","0.00016","90","","90","","90","","4526.57","0.08","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Co4.779 Cu39.221 Eu7 -","- As23 Co5.28 Cu38.72 Eu7 -","- As92 Co21.12 Cu154.88 Eu28 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0211","0.0194","","0.0258","0.0257","","","","2.47","","","","","","","has coordinates","185030","2020-10-21","18:00:00",""
"1543849","16.62514","0.00002","16.62514","0.00002","16.62514","0.00002","90","","90","","90","","4595.11","0.01","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu37.231 Eu7 Fe6.769 -","- As23 Cu37.2304 Eu7 Fe6.7696 -","- As92 Cu148.922 Eu28 Fe27.0784 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0193","0.0176","","0.0194","0.0191","","","","1.47","","","","","","","has coordinates","185031","2020-10-21","18:00:00",""
"1543850","16.483","0.00007","16.483","0.00007","16.483","0.00007","90","","90","","90","","4478.25","0.03","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu25.186 Eu7 Ni18.814 -","- As23 Cu25.752 Eu7 Ni18.248 -","- As92 Cu103.008 Eu28 Ni72.992 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.023","0.0203","","0.0216","0.0209","","","","1.38","","","","","","","has coordinates","185032","2020-10-21","18:00:00",""
"1543851","16.3719","0.0001","16.3719","0.0001","16.3719","0.0001","90","","90","","90","","4388.31","0.05","293","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu16.835 Eu7 Ni27.165 -","- As23 Cu16.8336 Eu7 Ni27.164 -","- As92 Cu67.3344 Eu28 Ni108.656 -","4","0.0208333","","Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei","Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23","Materials","2016","9","7","587","","10.3390/ma9070587","powder diffraction","x-ray","1.5418","CuKα","","0.0164","0.0162","","0.0204","0.0204","","","","1.3","","","","","","","has coordinates","185033","2020-10-21","18:00:00",""
"1544063","34.6","0.018","34.6","0.018","34.6","0.018","90","","90","","90","","41422","4","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C60 H24 Cu3 O15 -","- C60 H24 Cu3 O15 -","- C480 H192 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.41328","Synchrotron","","0.0718","0.0608","","","0.2134","0.2237","","","","","","1.118","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544064","39.618","0.003","39.618","0.003","39.618","0.003","90","","90","","90","","62184","8","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C84 H48 Cu3 O15 -","- C84 H48 Cu3 O15 -","- C672 H384 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.4428","Synchrotron","","0.153","0.1388","","","0.349","0.3607","","","","","","1.134","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544065","46.744","0.003","46.744","0.003","46.744","0.003","90","","90","","90","","102136","11","296","2","296","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C96 H48 Cu3 O15 -","- C96 H48 Cu3 O15 -","- C768 H384 Cu24 O120 -","8","0.0833333","","Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q.","Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage","Energy Environ. Sci.","2016","9","10","3279","","10.1039/C6EE02104B","","","0.41328","Synchrotron","","0.1726","0.0981","","","0.2874","0.3556","","","","","","1.147","","","","has coordinates","187151","2020-10-21","18:00:00",""
"1544139","7.1696","0.0001","17.3429","0.0004","11.1994","0.0002","90","","106.232","0.001","90","","1337.04","0.04","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 B F4 N S -","- C14 H13 B F4 N S -","- C56 H52 B4 F16 N4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","1.54178","CuKα","","0.0542","0.0491","","","0.163","0.1731","","","","","","1.11","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544140","6.8493","0.0002","10.8341","0.0003","19.2816","0.0004","90","","90.004","0.002","90","","1430.81","0.06","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 B F4 N O S -","- C15 H15 B F4 N O S -","- C60 H60 B4 F16 N4 O4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","1.54178","CuKα","","0.0602","0.0487","","","0.1226","0.1313","","","","","","1.026","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544141","8.7624","0.0018","7.6786","0.0015","19.134","0.004","90","","99.37","0.03","90","","1270.2","0.5","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","0.71073","MoKα","","0.0546","0.0432","","","0.113","0.1197","","","","","","1.105","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544142","7.0364","0.0001","12.4613","0.0002","19.4044","0.0003","90","","98.2495","0.0008","90","","1683.82","0.04","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F4 N O2 S -","- C17 H19 B F4 N O2 S -","- C68 H76 B4 F16 N4 O8 S4 -","4","1","","Milshtein, Jarrod D.; Kaur, Aman Preet; Casselman, Matthew D.; Kowalski, Jeffrey A.; Modekrutti, Subrahmanyam; Zhang, Peter L.; Harsha Attanayake, N.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Brushett, Fikile R.; Odom, Susan A.","High current density, long duration cycling of soluble organic active species for non-aqueous redox flow batteries","Energy Environ. Sci.","2016","9","11","3531","","10.1039/C6EE02027E","","","0.71073","MoKα","","0.0423","0.0357","","","0.0917","0.0959","","","","","","1.054","","","","has coordinates","188249","2020-10-21","18:00:00",""
"1544659","7.0191","0.0003","18.0476","0.0008","16.9652","0.0006","90","","99.85","0.003","90","","2117.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I N6 O3 Re -","- C22 H12 I N6 O3 Re -","- C88 H48 I4 N24 O12 Re4 -","4","1","","Wedding, J. L.; Harris, H. H.; Bader, C. A.; Plush, S. E.; Mak, R.; Massi, M.; Brooks, D. A.; Lai, B.; Vogt, S.; Werrett, M. V.; Simpson, P. V.; Skelton, B. W.; Stagni, S.","Intracellular distribution and stability of a luminescent rhenium(i) tricarbonyl tetrazolato complex using epifluorescence microscopy in conjunction with X-ray fluorescence imaging.","Metallomics : integrated biometal science","2017","9","4","382","390","10.1039/c6mt00243a","","","0.71073","MoKα","","0.0448","0.0372","","","0.0787","0.0815","","","","","","1.129","","","","has coordinates","196474","2020-10-21","18:00:00",""
"1544671","9.864","0.002","9.179","","5.298","0.001","90","","108.22","0.01","90","","455.64","0.13","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MnSiO3","","MnSiO3 pyroxene","- Mn O3 Si -","- Mn O3 Si -","- Mn8 O24 Si8 -","8","2","","Tokonami, M.; Horiuchi, H.; Nakano, A.; Akimoto, S.; Morimoto, N.","The crystal structure of the pyroxene-type MnSiO3","Mineralogical Journal","1979","9","","424","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","188696","2020-10-21","18:00:00",""
"1544672","7.545","0.002","11.782","0.003","6.663","0.002","92.69","0.02","94.32","0.03","105.71","0.02","567.2","0.3","","","","","","","","","","","","4","P -1","-P 1","2","Mn0.685Mg0.315SiO3","","rhodonite","- Mg0.315 Mn0.685 O3 Si -","- Mg0.315 Mn0.685 O3 Si -","- Mg3.15 Mn6.85 O30 Si10 -","10","5","","Murakami, T.; Takeuchi, Y.","Structure of synthetic rhodonite, Mn0.685Mg0.315SiO3, and compositional transformations in pyroxenoids","Mineralogical Journal","1979","9","","286","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","188724","2020-10-21","18:00:00",""
"1544707","14.6959","0.001","7.2819","0.0006","13.7456","0.001","90","","94.301","0.005","90","","1466.83","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F10 N4 O -","- C13 H4 F10 N4 O -","- C52 H16 F40 N16 O4 -","4","1","","Chowdhury, Additi Roy; Ghosh, Pritam; Paul, Suparna; Bhuyan, Samuzal; Bose K, Jagadeesh C.; Mukhopadhyay, Sudit; Banerjee, Priyabrata","A novel ditopic chemosensor for cadmium and fluoride and its possible application as a pH sensor","Anal. Methods","2017","9","1","124","","10.1039/C6AY02656G","","","0.71073","MoKα","","0.1002","0.0558","","","0.1594","0.1965","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544745","42.723","0.006","42.723","0.006","37.856","0.008","90","","90","","90","","69097","2","223","1","223","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C372 H446 Cd24 Eu8 N24 O142 -","- C372 H446 Cd24 Eu8 N24 O142 -","- C1488 H1784 Cd96 Eu32 N96 O568 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.710747","MoKα","","0.1553","0.0916","","","0.2165","0.2587","","","","","","0.908","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1544746","42.795","0.006","42.795","0.006","37.864","0.008","90","","90","","90","","69345","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C389 H512 Cd24 N24 Nd8 O173.5 -","- C1556 H2048 Cd96 N96 Nd32 O694 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming","Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors.","Nanoscale","2017","9","2","517","521","10.1039/c6nr07906g","","","0.71073","MoKα","","0.2006","0.1094","","","0.2595","0.3325","","","","","","1.083","","","","has coordinates","191694","2020-10-21","18:00:00",""
"1544875","5.392","0.005","9.342","0.008","10.365","0.013","90","","100.29","0.09","90","","513.7","0.9","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","(K,Na)(Mn,Mg,Fe)3(Si,Al)4O10(OH)2","","1M-manganese trioctahedral micas","- Al1.29 Fe0.33 H1.54 K0.78 Mg1.2 Mn1.36 Na0.11 O11.2 Si2.69 -","- Al1.28 K0.78 Mg1.2 Mn1.35 Na0.11 O12 Si2.68 -","- Al2.56 K1.56 Mg2.4 Mn2.7 Na0.22 O24 Si5.36 -","2","0.25","","Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K.","The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.0","Mineralogical Journal","1979","9","","392","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","189402","2020-10-21","18:00:00",""
"1544876","5.38","0.002","9.295","0.002","10.318","0.004","90","","99.96","0.02","90","","508.2","0.3","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","(K,Na)(Mn,Mg,Fe)3(Si,Al)4O10(OH)2","","1M-manganese trioctahedral micas","- Al1.15 H1.93 K0.846 Mg1.74 Mn1.14 Na0.187 O11.2 Si2.75 -","- Al1.16 K0.85 Mg1.74 Mn1.14 Na0.19 O12 Si2.64 -","- Al2.32 K1.7 Mg3.48 Mn2.28 Na0.38 O24 Si5.28 -","2","0.25","","Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K.","The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.1","Mineralogical Journal","1979","9","","392","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","189403","2020-10-21","18:00:00",""
"1544877","5.349","0.002","9.241","0.002","10.282","0.004","90","","99.96","0.02","90","","500.6","0.3","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","(K,Na)(Mn,Mg,Fe)3(Si,Al)4O10(OH)2","","1M-manganese trioctahedral micas","- Al1.07 Ba0.11 Fe0.49 H1.57 K0.73 Mg2.27 Mn0.49 Na0.32 O12 Si2.86 -","- Al1.08 Ba0.11 Fe0.48 K0.73 Mg2.28 Mn0.48 Na0.32 O12 Si2.84 -","- Al2.16 Ba0.22 Fe0.96 K1.46 Mg4.56 Mn0.96 Na0.64 O24 Si5.68 -","2","0.25","","Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K.","The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.2","Mineralogical Journal","1979","9","","392","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","189404","2020-10-21","18:00:00",""
"1544878","5.33","0.002","9.245","0.003","10.24","0.003","90","","99.92","0.02","90","","497","0.3","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","(K,Na)(Mn,Mg,Fe)3(Si,Al)4O10(OH)2","","1M-manganese trioctahedral micas","- Al1.65 Ba0.35 F0.07 H1.18 K0.58 Mg2.1 Mn0.73 O12 Si2.33 -","- Al2 Ba0.347 K0.576 Mg2.1 Mn0.72 O12 Si2.32 -","- Al4 Ba0.694 K1.152 Mg4.2 Mn1.44 O24 Si4.64 -","2","0.25","","Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K.","The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.5","Mineralogical Journal","1979","9","","392","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","189405","2020-10-21","18:00:00",""
"1544879","5.345","0.003","9.25","0.004","10.256","0.008","90","","99.99","0.05","90","","499.4","0.5","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","(K,Na)(Mn,Mg,Fe)3(Si,Al)4O10(OH)2","","1M kinoshitalite","- Al2.16 Ba0.58 F0.06 H1.62 K0.35 Mg2.07 Mn0.73 Na0.11 O12 Si2.05 -","- Al2.13 Ba0.58 K0.35 Mg2.07 Mn0.72 Na0.11 O12 Si2.04 -","- Al4.26 Ba1.16 K0.7 Mg4.14 Mn1.44 Na0.22 O24 Si4.08 -","2","0.25","","Kato, T.; Miura, Y.; Yoshii, M.; Maeda, K.","The crystal structures of 1M-kinoshitalite, a new barium brittle mica and 1M-manganese trioctahedral micas Sample: No.5","Mineralogical Journal","1979","9","","392","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","189406","2020-10-21","18:00:00",""
"1545119","26.0266","0.0007","27.9405","0.0008","28.5247","0.0008","90","","90","","90","","20743.1","1","173","","172.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Au34(SC6H11)22","","- C132 H242 Au34 S22 -","- C132 H242 Au34 S22 -","- C528 H968 Au136 S88 -","4","0.5","","Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun","A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.","Nanoscale","2017","9","11","3742","3746","10.1039/c6nr09724c","","","1.54178","CuKα","","0.0537","0.0494","","","0.1314","0.1353","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545120","20.6257","0.0011","20.7452","0.0011","30.3877","0.0016","78.427","0.003","80.789","0.003","62.667","0.002","11281.4","1.1","173","","172.99","","","","","","","","","4","P -1","-P 1","2","","Au42(SC6H11)26","","- C156 H286 Au42 S26 -","- C156 H283 Au42 S26 -","- C312 H566 Au84 S52 -","2","1","","Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun","A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.","Nanoscale","2017","9","11","3742","3746","10.1039/c6nr09724c","","","1.54178","CuKα","","0.1989","0.1663","","","0.3875","0.4088","","","","","","1.514","","","","has coordinates","195147","2020-10-21","18:00:00",""
"1545292","22.7887","0.0018","27.962","0.002","33.377","0.003","69.6918","0.0007","88.7509","0.0008","84.346","0.0008","19848","3","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12 -","- C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12 -","- C580 H510 Ag48 Fe12 Mo10 N2 O40 P24 S24 -","2","1","","Li, Xiao-Yu; Wang, Zhi; Su, Hai-Feng; Feng, Sheng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anion-templated nanosized silver clusters protected by mixed thiolate and diphosphine.","Nanoscale","2017","9","10","3601","3608","10.1039/c6nr09632h","","","0.71073","MoKα","","0.1181","0.0701","","","0.1806","0.2048","","","","","","0.973","","","","has coordinates","195146","2020-10-21","18:00:00",""
"1545608","22.6491","0.0003","22.6491","0.0003","71.0014","0.0013","90","","90","","120","","31542.7","0.8","173","2","173","2","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C124 H270 Ag41 Cr2 N7 O17 S30 -","- C744 H1620 Ag246 Cr12 N42 O102 S180 -","6","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71","MoKα","","0.0663","0.0595","","","0.1638","0.172","","","","","","1.024","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545609","17.5994","0.0005","17.5994","0.0005","29.2422","0.0009","90","","90","","120","","7844","0.4","173","2","173","2","","","","","","","","8","P 62","P 62","171","","","","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C150 H294 Ag60 Cr15 F36 N12 O90 S30 -","3","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.0635","0.043","","","0.0621","0.0689","","","","","","1.102","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545610","47.992","0.003","50.873","0.003","64.857","0.004","90","","90","","90","","158348","17","100","2","100.15","","","","","","","","","8","F d d d","-F 2uv 2vw","70","","","","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C288 H340 Ag47 Cr4 F54 N4 O56 S24 -","- C4608 H5440 Ag752 Cr64 F864 N64 O896 S384 -","16","","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.2393","0.127","","","0.2998","0.4121","","","","","","1.084","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1545611","32.963","0.0004","28.784","0.0004","21.7978","0.0003","90","","96.6012","0.0012","90","","20544.8","0.5","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C114 H240 Ag40 Cr5 F9 O26 S27 -","- C114 H240 Ag40 Cr5 F9 O26 S27 -","- C456 H960 Ag160 Cr20 F36 O104 S108 -","4","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","1.54184","CuKα","","0.1091","0.0717","","","0.1899","0.2231","","","","","","1.023","","","","has coordinates,has disorder","196475","2020-10-21","18:00:00",""
"1545612","17.603","0.0003","17.603","0.0003","29.2412","0.0005","90","","90","","120","","7846.9","0.2","173","2","173","2","","","","","","","","8","P 64","P 64","172","","","","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C150 H294 Ag60 Cr15 F36 N12 O90 S30 -","3","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.0316","0.026","","","0.0404","0.0417","","","","","","1.025","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1546119","11.1553","0.0019","19.49","0.004","30.332","0.006","90","","90","","90","","6595","2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67.59 H76.99 N12 -","- C67.582 H76.972 N12 -","- C270.328 H307.888 N48 -","4","1","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.0948","0.0786","","","0.212","0.2297","","","","","","1.085","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546120","17.5575","0.0007","17.5575","0.0007","28.6921","0.0012","90","","90","","120","","7659.8","0.5","100","","100","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C142.09 H188.18 Cl5.5 N24 O9.92 -","- C140.408 H166.74 Cl5.4997 N24 O9.9239 -","- C280.816 H333.48 Cl10.9994 N48 O19.8478 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1435","0.1285","","","0.3302","0.3421","","","","","","2.372","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546121","24.318","0.002","24.318","0.002","24.318","0.002","90","","90","","90","","14381","2","100","","100","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C130 H160.5 N24 O15.25 -","- C130 H126 N24 O15.2498 -","- C520.001 H504 N96 O60.9992 -","4","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.086","0.0722","","","0.2033","0.2134","","","","","","1.043","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546122","17.5938","0.0007","17.5938","0.0007","32.2344","0.0013","90","","90","","120","","8641.1","0.6","100","","100","","","","","","","","","5","P 63","P 6c","173","","","","- C151 H214 Cl2 N24 O10 -","- C151 H192 Cl2 N24 O9.9996 -","- C302 H384 Cl4 N48 O19.9992 -","2","0.333333","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.71073","MoKα","","0.1121","0.0916","","","0.246","0.2709","","","","","","1.064","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546183","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María","Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure.","Metallomics : integrated biometal science","2017","9","5","564","574","10.1039/c7mt00014f","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","197143","2020-10-21","18:00:00",""
"1546184","21.102","0.008","10.963","0.006","5.929","0.002","90","","92.57","0.05","90","","1370.2","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María","Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure.","Metallomics : integrated biometal science","2017","9","5","564","574","10.1039/c7mt00014f","","","0.71073","MoKα","","0.1293","0.0521","","","0.125","0.1498","","","","","","1.008","","","","has coordinates","197143","2020-10-21","18:00:00",""
"1547211","11.198","0.0005","12.291","0.0008","13.361","0.0004","93.151","0.005","97.65","0.003","92.66","0.004","1817.13","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","2","","Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder","Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives","Chemistry Central Journal","2015","9","","17","","10.1186/s13065-015-0094-3","","","0.71073","MoKα","","0.1369","0.0595","","","0.1687","0.1912","","","","","","0.957","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547212","9.1789","0.0006","12.7776","0.0009","16.0615","0.001","89.255","0.004","86.758","0.004","70.507","0.004","1772.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","2","","Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder","Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives","Chemistry Central Journal","2015","9","","17","","10.1186/s13065-015-0094-3","","","0.71073","MoKα","","0.1163","0.057","","","0.1479","0.1919","","","","","","0.997","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547705","9.9819","0.0002","19.8256","0.0004","20.6783","0.0004","90","","91.212","0.002","90","","4091.26","0.14","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H23 Cl8 Dy N5 Na O5 -","- C39 H23 Cl8 Dy N5 Na O5 -","- C156 H92 Cl32 Dy4 N20 Na4 O20 -","4","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0924","0.0582","","","0.1059","0.1273","","","","","","1.156","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547706","15.8989","0.0016","16.0286","0.0016","19.542","0.002","98.384","0.009","91.201","0.009","118.115","0.01","4322.5","0.9","120","2","120.15","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H58 Cl16 Dy2 K N11 O8 -","- C84 H58 Cl16 Dy2 K N11 O8 -","- C168 H116 Cl32 Dy4 K2 N22 O16 -","2","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.2146","0.0946","","","0.1231","0.1898","","","","","","0.996","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547707","36.1061","0.0011","11.5705","0.0003","22.7831","0.0006","90","","109.429","0.003","90","","8976","0.5","120","2","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl8 Dy N5 O4 -","- C44 H36 Cl8 Dy N5 O4 -","- C352 H288 Cl64 Dy8 N40 O32 -","8","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0364","0.0276","","","0.0527","0.0579","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547767","10.86","0.001","12.7006","0.0011","14.3671","0.0013","73.501","0.01","72.779","0.011","89.315","0.011","1809.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Aluminumtris(decafluordiphenylamide)","","","- C36 Al F30 N3 -","- C36 Al F30 N3 -","- C72 Al2 F60 N6 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0661","0.0375","","","0.0839","0.0914","","","","","","0.853","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547768","14.4989","0.0014","18.051","0.002","21.909","0.002","84.427","0.013","73.249","0.012","67.033","0.012","5054.7","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H31 Al2 F62 Li N6 -","- C105 H31 Al2 F62 Li N6 -","- C210 H62 Al4 F124 Li2 N12 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1244","0.0538","","","0.1268","0.1483","","","","","","0.793","","","","has coordinates,has disorder","276343","2022-06-28","16:14:41",""
"1547769","7.9908","0.0007","20.611","0.003","22.8236","0.0019","90","","108.292","0.007","90","","3569.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Galliumtris(decafluordiphenylamide)","","","- C36 F30 Ga N3 -","- C36 F30 Ga N3 -","- C144 F120 Ga4 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1886","0.0509","","","0.0984","0.1359","","","","","","0.712","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547770","13.0294","0.0005","26.0373","0.0007","16.8481","0.0006","90","","92.421","0.003","90","","5710.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cesiumtris(decafluordiphenylamide)fluoroaluminate","","","- C57 H24 Al Cs F31 N3 -","- C57 H24 Al Cs F31 N3 -","- C228 H96 Al4 Cs4 F124 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71069","MoKα","","0.0828","0.0601","","","0.1657","0.1779","","","","","","1.097","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547771","11.2887","0.0005","13.9044","0.0007","20.9274","0.0011","98.126","0.002","103.279","0.002","111.821","0.001","2873","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tetraphenylarsoniumtris(decafluordiphenylamide)chlorogallate","","","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","1","0.5","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0664","0.0375","","","0.0853","0.1042","","","","","","1.074","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547772","19.555","0.006","6.165","0.002","10.117","0.003","90","","98.628","0.006","90","","1205.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0778","0.0608","","","0.1477","0.1618","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547773","27.159","0.013","7.49","0.004","9.539","0.005","90","","106.51","0.008","90","","1860.4","1.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0998","0.0735","","","0.2312","0.2723","","","","","","1.08","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547774","8.6745","0.0003","9.6624","0.0004","13.8499","0.0005","86.795","0.003","81.245","0.003","81.324","0.003","1133.55","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H36 Cl O P Pd -","- C21 H36 Cl O P Pd -","- C42 H72 Cl2 O2 P2 Pd2 -","2","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0333","0.0284","","","0.0627","0.0658","","","","","","1.052","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547775","12.295","0.005","5.569","0.002","18.014","0.007","90","","101.033","0.006","90","","1210.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0557","0.0436","","","0.0978","0.1058","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547805","35.5176","0.0009","4.6594","0.0001","23.3989","0.0006","90","","116.089","0.001","90","","3477.76","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19.5 N3 O0.5 -","- C21 H19.5 N3 O0.5 -","- C168 H156 N24 O4 -","8","1","","Li, Wanfang; Boon, Jie Kang; Zhao, Yu","Nickel-catalyzed difunctionalization of allyl moieties using organoboronic acids and halides with divergent regioselectivities.","Chemical science","2018","9","3","600","607","10.1039/c7sc03149a","","","1.54178","CuKα","","0.0583","0.0467","","","0.1159","0.1232","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547835","8.3146","0.0004","11.1767","0.0005","16.4216","0.0007","90","","90","","90","","1526.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-11-methoxy-7-methyl-1,2,3,5,6,7-hexahydro-4H-benzo[3,4] cyclohepta[1,2-b]benzofuran-4-one","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joyce, Leo A.; Nawrat, Christopher C.; Sherer, Edward C.; Biba, Mirlinda; Brunskill, Andrew; Martin, Gary E.; Cohen, Ryan D.; Davies, Ian W.","Beyond optical rotation: what's left is not always right in total synthesis.","Chemical science","2018","9","2","415","424","10.1039/c7sc04249c","","","1.54178","CuKα","","0.0245","0.0243","","","0.0622","0.0624","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547836","27.352","0.012","15.144","0.007","13.336","0.006","90","","116.222","0.007","90","","4956","4","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 Co Fe2 N14 O2 -","- C50 H34 Co Fe2 N14 O2 -","- C200 H136 Co4 Fe8 N56 O8 -","4","0.5","","Jiang, Wenjing; Jiao, Chengqi; Meng, Yinshan; Zhao, Liang; Liu, Qiang; Liu, Tao","Switching single chain magnet behavior <i>via</i> photoinduced bidirectional metal-to-metal charge transfer.","Chemical science","2018","9","3","617","622","10.1039/c7sc03401f","","","0.71073","MoKα","","0.0763","0.0496","","","0.1533","0.1695","","","","","","1.07","","","","has coordinates","228872","2020-10-21","18:00:00",""
"1547843","8.3521","0.0017","12.418","0.002","20.681","0.004","90","","97.923","0.004","90","","2124.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F2 N2 O2 -","- C26 H22 F2 N2 O2 -","- C104 H88 F8 N8 O8 -","4","1","","Lv, Zhuang; Wei, Huanjie; Li, Qing; Su, Xianlong; Liu, Shujuan; Zhang, Kenneth Yin; Lv, Wen; Zhao, Qiang; Li, Xianghong; Huang, Wei","Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(ii) photosensitizer through type I photochemical process.","Chemical science","2018","9","2","502","512","10.1039/c7sc03765a","","","0.71073","MoKα","","0.115","0.0488","","","0.1254","0.1594","","","","","","0.974","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547871","5.9414","0.0011","15.879","0.003","19.207","0.004","90","","94.096","0.003","90","","1807.4","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O S -","- C19 H24 N4 O S -","- C76 H96 N16 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0791","0.0461","","","0.0991","0.1139","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547872","16.166","0.004","8.073","0.002","12.176","0.003","90","","99.741","0.004","90","","1566.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C68 H76 N12 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0836","0.0433","","","0.1016","0.1188","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547877","11.81","0.00016","16.5659","0.0002","18.388","0.0002","90","","92.9627","0.0013","90","","3592.68","0.08","183","7","183","7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Eu F9 O9 S3 -","- C30 H26 Eu F9 O9 S3 -","- C120 H104 Eu4 F36 O36 S12 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.0362","0.0251","","","0.0512","0.0573","","","","","","1.075","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547878","10.5124","0.0003","18.3614","0.0005","18.9788","0.0005","90","","98.264","0.002","90","","3625.29","0.17","180","0.14","180","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F9 O9 S3 Y -","- C30 H26 F9 O9 S3 Y -","- C120 H104 F36 O36 S12 Y4 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.075","0.0441","","","0.0943","0.1078","","","","","","1.035","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547879","13.7492","0.0004","20.1925","0.0003","25.829","0.0006","90","","90.402","0.002","90","","7170.7","0.3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H46 Cl2 Eu F24 N5 O6 -","- C71 H44 Eu F24 N5 O6 -","- C284 H176 Eu4 F96 N20 O24 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.1028","0.0605","","","0.1418","0.1576","","","","","","0.99","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547880","8.38538","0.00015","27.3868","0.0004","18.8875","0.0003","90","","102.271","0.0017","90","","4238.4","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H17 Eu F24 O9 -","- C36 H17 Eu F24 O9 -","- C144 H68 Eu4 F96 O36 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.07","0.0607","","","0.1574","0.1688","","","","","","1.022","","","","has coordinates","228726","2020-10-21","18:00:00",""
"1547881","8.4028","0.0011","11.9498","0.0009","17.1489","0.0017","90","","94.163","0.01","90","","1717.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N2 Ni -","- C19 H19 Br N2 Ni -","- C76 H76 Br4 N8 Ni4 -","4","1","","Jia, Xue-Gong; Guo, Peng; Duan, Jicheng; Shu, Xing-Zhong","Dual nickel and Lewis acid catalysis for cross-electrophile coupling: the allylation of aryl halides with allylic alcohols.","Chemical science","2018","9","3","640","645","10.1039/c7sc03140h","","","0.71073","MoKα","","0.1312","0.0781","","","0.1586","0.1843","","","","","","1.052","","","","has coordinates","228868","2020-10-21","18:00:00",""
"1547882","8.7005","0.0008","10.2416","0.001","11.4433","0.0009","76.304","0.003","83.414","0.003","75.816","0.003","958.74","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0785","0.0481","","","0.0998","0.112","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547883","5.9171","0.0004","24.525","0.002","13.126","0.001","90","","95.432","0.002","90","","1896.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.075","0.0502","","","0.1055","0.1143","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547884","10.5469","0.0018","20.177","0.003","10.7298","0.0017","90","","114.01","0.004","90","","2085.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0895","0.0521","","","0.1411","0.1638","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547885","23.476","0.003","10.1603","0.0016","18.561","0.003","90","","118.836","0.005","90","","3878.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C192 H168 N8 O32 -","8","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0744","0.0538","","","0.1263","0.1369","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547942","10.5132","0.0001","9.6837","0.0001","10.8056","0.0001","90","","93.347","0.001","90","","1098.21","0.019","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0505","0.0499","","","0.1275","0.1285","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547943","6.6941","0.0002","8.926","0.0004","18.2322","0.0006","90","","92.895","0.003","90","","1088.01","0.07","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0692","0.0686","","","0.1811","0.1827","","","","","","1.082","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547944","12.3416","0.0003","17.221","0.0005","16.8272","0.0005","90","","95.88","0.003","90","","3557.55","0.17","293.2","0.1","293.2","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C152 H128 Cl8 N8 O32 -","8","2","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0683","0.0623","","","0.169","0.1806","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548021","11.91","0.003","12.221","0.003","15.587","0.004","69.947","0.003","81.802","0.003","66.513","0.003","1954.6","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","W2Co3-1D","","","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","1","0.5","","Zhang, Yuan-Zhu; Dolinar, Brian S.; Liu, Shihao; Brown, Andrew J.; Zhang, Xuan; Wang, Zhao-Xi; Dunbar, Kim R.","Enforcing Ising-like magnetic anisotropy <i>via</i> trigonal distortion in the design of a W(v)-Co(ii) cyanide single-chain magnet.","Chemical science","2018","9","1","119","124","10.1039/c7sc02925j","","","0.71073","MoKα","","0.0532","0.0394","","","0.0793","0.086","","","","","","1.03","","","","has coordinates","228671","2020-10-21","18:00:00",""
"1548053","8.2997","0.0003","33.2041","0.0004","12.4646","0.0011","90","","90","","90","","3435","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N -","- C26 H17 N -","- C208 H136 N8 -","8","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0368","0.0336","","","0.1049","0.1091","","","","","","0.929","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548054","7.379","0.006","22.716","0.016","9.381","0.007","90","","111.14","0.02","90","","1466.6","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","0.71073","MoKα","","0.1219","0.1217","","","0.3147","0.3149","","","","","","1.838","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548055","8.5137","0.0002","21.963","0.0006","9.8776","0.0003","90","","104.406","0.0017","90","","1788.9","0.09","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0403","0.036","","","0.1242","0.1303","","","","","","1.12","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548056","7.3384","0.0002","18.5774","0.0006","13.3299","0.0004","90","","90.1024","0.0018","90","","1817.24","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","2","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.08","0.0628","","","0.1697","0.2075","","","","","","1.451","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548064","11.0994","0.0004","8.5265","0.0003","21.7146","0.0008","90","","97.392","0.003","90","","2037.97","0.13","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Fe O3 -","- C27 H24 Fe O3 -","- C108 H96 Fe4 O12 -","4","1","","Wang, Yong; Dansette, Patrick M.; Pigeon, Pascal; Top, Siden; McGlinchey, Michael J.; Mansuy, Daniel; Jaouen, Gérard","A new generation of ferrociphenols leads to a great diversity of reactive metabolites, and exhibits remarkable antiproliferative properties.","Chemical science","2018","9","1","70","78","10.1039/c7sc04213b","","","1.54178","CuKα","","0.0488","0.045","","","0.1183","0.1217","","","","","","1.068","","","","has coordinates","228673","2020-10-21","18:00:00",""
"1548110","17.7719","0.0016","8.1203","0.0007","19.0328","0.0019","90","","110.633","0.011","90","","2570.5","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Allyl-3-(allylsulfinyl)-1H-indole","","- C14 H15 N O S -","- C14 H15 N O S -","- C112 H120 N8 O8 S8 -","8","2","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.1032","0.0532","","","0.0889","0.1068","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548111","8.2973","0.0005","9.132","0.0006","9.7066","0.0005","104.937","0.005","100.291","0.005","100.461","0.005","678.86","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2-Allyl-3-(allylsulfinyl)-1-methyl-1H-indole","","- C15 H17 N O S -","- C15 H17 N O S -","- C30 H34 N2 O2 S2 -","2","1","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.0455","0.0366","","","0.089","0.0942","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548134","12.284","0.004","15.243","0.005","17.55","0.007","100.641","0.004","102.198","0.005","98.202","0.006","3099.8","1.9","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","1","0.5","","Wang, Chen; Tian, Li; Zhu, Wei; Wang, Shiqiang; Gao, Ning; Zhou, Kang; Yin, Xianpeng; Zhang, Wanlin; Zhao, Liang; Li, Guangtao","Molecular cage-bridged plasmonic structures with well-defined nanogaps as well as the capability of reversible and selective guest trapping.","Chemical science","2018","9","4","889","895","10.1039/c7sc03536e","","","0.71073","MoKα","","0.1099","0.0984","","","0.2755","0.2873","","","","","","1.138","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548139","14.453","0.0006","24.1484","0.001","24.504","0.001","90","","90","","90","","8552.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ge O3 -","- C32 H38 Ge O3 -","- C384 H456 Ge12 O36 -","12","3","","Eibel, Anna; Radebner, Judith; Haas, Michael; Fast, David E.; Freißmuth, Hilde; Stadler, Eduard; Faschauner, Paul; Torvisco, Ana; Lamparth, Iris; Moszner, Norbert; Stueger, Harald; Gescheidt, Georg","From mono- to tetraacylgermanes: extending the scope of visible light photoinitiators","Polymer Chemistry","2018","9","1","38","","10.1039/C7PY01590A","","","0.71073","MoKα","","0.0629","0.0443","","","0.0962","0.1051","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548141","10.207","0.0004","10.6944","0.0004","18.5996","0.0006","94.043","0.003","102.847","0.003","97.904","0.003","1949.89","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 Br10 N8 Sn -","- C16 H56 Br10 N8 Sn -","- C32 H112 Br20 N16 Sn2 -","2","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0651","0.0441","","0.0511","0.0479","0.0511","","","","","","0.9933","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548142","8.75618","0.00018","27.2439","0.0005","10.64297","0.00018","90","","97.3536","0.0017","90","","2518.02","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl5 N2 Sb -","- C18 H40 Cl5 N2 Sb -","- C72 H160 Cl20 N8 Sb4 -","4","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0418","0.0371","","0.0542","0.0529","0.0542","","","","","","0.9984","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548143","10.7464","0.0007","10.8924","0.0007","11.1796","0.0007","64.2658","0.0007","80.1825","0.0007","72.8331","0.0007","1124.94","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","1","0.5","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0178","0.0155","","","0.0341","0.0349","","","","","","1.078","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548144","13.1579","0.0002","37.8588","0.0007","30.9277","0.0005","90","","96.192","0.002","90","","15316.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C247.73 H123.18 N2 -","- C247.727 H123.18 N2 -","- C990.908 H492.72 N8 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1362","0.109","","","0.3079","0.3338","","","","","","1.085","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548145","17.0175","0.0008","28.9186","0.0013","22.7929","0.001","90","","100.484","0.001","90","","11029.6","0.9","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C160 H94 N2 -","- C160 H94 N2 -","- C640 H376 N8 -","4","2","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1356","0.0969","","","0.2411","0.2627","","","","","","1.077","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548236","12.7541","0.0005","13.5008","0.0006","13.6961","0.0006","94.892","0.004","105.455","0.004","113.791","0.004","2029.61","0.18","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 Cl3 O9 -","- C39 H53 Cl3 O9 -","- C78 H106 Cl6 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0995","0.0914","","","0.2714","0.2842","","","","","","1.04","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548237","10.6706","0.001","13.8828","0.0012","14.1078","0.0013","70.567","0.003","84.605","0.003","69.424","0.003","1844.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H54 O9 -","- C39 H54 O9 -","- C78 H108 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","0.71073","MoKα","","0.0904","0.0509","","","0.1095","0.1273","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548238","11.541","0.0002","16.4653","0.0003","32.9338","0.0005","90","","95.72","0.001","90","","6227.12","0.18","100.01","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H44 O6 -","- C34 H44 O6 -","- C272 H352 O48 -","8","4","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54184","CuKα","","0.0732","0.0714","","","0.1899","0.1914","","","","","","1.061","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548239","6.3828","0.0001","14.8993","0.0001","32.605","0.0002","90","","90","","90","","3100.71","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H45 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54178","CuKα","","0.0283","0.0278","","","0.0723","0.0727","","","","","","1.044","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548240","12.4836","0.0002","12.5791","0.0002","20.1204","0.0003","90","","90","","90","","3159.56","0.09","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 O7 -","- C34 H46 O7 -","- C136 H184 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0464","0.0456","","","0.1213","0.1222","","","","","","1.043","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548241","6.8237","0.0004","9.6779","0.0006","23.209","0.0013","90","","90","","90","","1532.7","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-((S)-2,2-dimethyl-1-(pyridin-2-yl)propyl)-2-((S)-tetrahydrofuran-2-yl)acetamide","","- C16 H23 N2 O2 -","- C16 H23 N2 O2 -","- C64 H92 N8 O8 -","4","1","","Kim, Yechan; Kim, Seoung-Tae; Kang, Dahye; Sohn, Te-Ik; Jang, Eunyoung; Baik, Mu-Hyun; Hong, Sungwoo","Stereoselective construction of sterically hindered oxaspirocycles <i>via</i> chiral bidentate directing group-mediated C(sp<sup>3</sup>)-O bond formation.","Chemical science","2018","9","6","1473","1480","10.1039/c7sc04691j","","","0.71073","MoKα","","0.0349","0.0338","","","0.0981","0.0995","","","","","","1.084","","","","has coordinates","228732","2020-10-21","18:00:00",""
"1548292","12.383","0.004","18.49","0.007","19.983","0.007","69.381","0.005","79.742","0.005","88.826","0.005","4209","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C164.05 H143.07 Cu2 F36 N29.98 O2.48 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","1","0.5","","Hayes, Dugan; Kohler, Lars; Hadt, Ryan G.; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L.; Chen, Lin X.","Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.","Chemical science","2018","9","4","860","875","10.1039/c7sc04055e","","","0.71073","MoKα","","0.0773","0.0509","","","0.1236","0.1361","","","","","","1.018","","","","has coordinates,has disorder","228719","2020-10-21","18:00:00",""
"1548293","8.281","0.002","27.653","0.007","23.173","0.006","90","","91.817","0.004","90","","5304","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 B3 F20 N4 O2 -","- C53 H45 B3 F20 N4 O2 -","- C212 H180 B12 F80 N16 O8 -","4","1","","Zheng, Junhao; Li, Zhen Hua; Wang, Huadong","Addition of dihydrogen to a borylborenium center.","Chemical science","2018","9","6","1433","1438","10.1039/c7sc04987k","","","0.71073","MoKα","","0.1993","0.0845","","","0.2217","0.3035","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548345","16.5942","0.0007","8.7199","0.0004","21.4742","0.001","90","","93.516","0.001","90","","3101.5","0.2","123","0.2","123","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N2 O3 S -","- C39 H39 N2 O3 S -","- C156 H156 N8 O12 S4 -","4","1","","Yamamoto, Y.; Murayama, T.; Jiang, J.; Yasui, T.; Shibuya, M.","The vinylogous Catellani reaction: a combined computational and experimental study.","Chemical science","2018","9","5","1191","1199","10.1039/c7sc04265e","","","0.71073","MoKα","","0.0455","0.0371","","","0.094","0.0992","","","","","","1.038","","","","has coordinates,has disorder","228692","2020-10-21","18:00:00",""
"1548346","47.6161","0.0017","31.7486","0.0011","56.289","0.002","90","","111.305","0.0016","90","","79279","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C204 H158 B8 F32 N40 O7 Zn4 -","- C204 H144 B8.02 F32.075 N40 O7 Zn4 -","- C1632 H1152 B64.16 F256.6 N320 O56 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.3793","0.0985","","","0.1935","0.2895","","","","","","0.959","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548347","47.061","0.002","32.0425","0.0014","55.568","0.003","90","","110.406","0.001","90","","78535","6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C206 H163 B3.5 F14 I4.5 N41 O8 Zn4 -","- C206 H147 B3.51 F14.04 I4.5 N41 O8 Zn4 -","- C1648 H1176 B28.08 F112.32 I36 N328 O64 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.2945","0.0885","","","0.219","0.2659","","","","","","0.967","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548380","12.842","0.006","21.083","0.005","25.145","0.005","90","","90","","90","","6808","4","173.15","0.1","173.15","0.1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C58 H48 Ag5 F6 N17 O6 S2 -","- C58 H48 Ag5 F6 N17 O6 S2 -","- C232 H192 Ag20 F24 N68 O24 S8 -","4","0.25","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.1871","0.1818","","","0.3393","0.3422","","","","","","1.098","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548381","14.3867","0.0003","15.4794","0.0003","18.9913","0.0006","101.197","0.002","93.2","0.002","94.368","0.002","4125.97","0.18","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H55 Ag5 F6 N17 O6 S2 -","- C59 H55 Ag5 F6 N17 O6 S2 -","- C118 H110 Ag10 F12 N34 O12 S4 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1007","0.0884","","","0.2452","0.2632","","","","","","1.066","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548382","32.1129","0.0019","12.1233","0.0003","24.0913","0.0016","90","","130.309","0.01","90","","7152.2","1.2","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Ag4 F9 N17 O10 S2 -","- C64 H58 Ag4 F9 N17 O10 S2 -","- C256 H232 Ag16 F36 N68 O40 S8 -","4","0.5","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1026","0.0965","","","0.248","0.2531","","","","","","1.136","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548383","14.8347","0.0003","15.7643","0.0003","18.6915","0.0004","96.459","0.002","93.928","0.002","95.369","0.002","4310.55","0.15","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C147 H136 Ag10 F18 N36 O25 S6 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.0573","0.0534","","","0.1529","0.1578","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548384","13.189","0.003","13.561","0.003","28.427","0.006","103.51","0.03","90.23","0.03","118.57","0.03","4302","2","173.15","0.1","173.15","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C126 H110 Ag10 Cl9 F24 N34 O26.5 S8 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0868","0.0795","","","0.1949","0.2003","","","","","","1.14","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548385","14.3943","0.0004","31.0527","0.0014","22.6971","0.0008","90","","125.685","0.002","90","","8240.3","0.6","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H57 Ag5 F9 N17 O9 S3 -","- C67 H57 Ag5 F9 N17 O9 S3 -","- C268 H228 Ag20 F36 N68 O36 S12 -","4","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.2674","0.213","","","0.5017","0.5615","","","","","","1.092","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548386","12.278","0.003","25.145","0.005","12.408","0.003","90","0.03","117.31","0.03","90","0.03","3403.7","1.6","173.15","","173.15","","","","","","","","","7","P 1","P 1","1","","","","- C58 H53 Ag5 F6 N17 O6 S2 -","- C58 H53 Ag5 F6 N17 O6 S2 -","- C116 H106 Ag10 F12 N34 O12 S4 -","2","2","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0954","0.0889","","","0.218","0.226","","","","","","1.027","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548387","20.6668","0.001","20.6668","0.001","16.8568","0.0009","90","","90","","90","","7199.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0353","0.0296","","","0.0754","0.0784","","","","","","1.052","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548388","17.794","0.004","19.121","0.004","19.042","0.004","90","","116.941","0.015","90","","5776","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co3(dpa)4(MeCN)2][As2(tart)2] acetonitrile solvate","","","- C56 H48 As2 Co3 N16 O12 -","- C56 H48 As2 Co3 N16 O12 -","- C224 H192 As8 Co12 N64 O48 -","4","0.5","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0324","0.0262","","","0.0662","0.0693","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548389","11.7226","0.0009","21.8073","0.0017","12.0149","0.0009","90","","112.115","0.003","90","","2845.5","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H51 Co3 F12 N15 O P2 -","- C50 H51 Co3 F12 N15 O P2 -","- C100 H102 Co6 F24 N30 O2 P4 -","2","1","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0327","0.0303","","","0.0807","0.0821","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548390","20.6481","0.001","20.6481","0.001","16.8896","0.0009","90","","90","","90","","7200.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0223","0.0198","","","0.0502","0.0512","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548391","15.3461","0.0011","9.6856","0.0004","20.5438","0.0011","90","","105.618","0.006","90","","2940.8","0.3","106.1","","106.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N2 O Ti -","- C14 H14 Cl2 N2 O Ti -","- C112 H112 Cl16 N16 O8 Ti8 -","8","2","","Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian","Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers","Polymer Chemistry","2018","9","1","48","","10.1039/C7PY01807J","","","0.7107","MoKα","","0.0986","0.087","","","0.1932","0.1983","","","","","","1.204","","","","has coordinates","230954","2020-10-21","18:00:00",""
"1548392","14.5895","0.0005","10.0182","0.0004","13.9424","0.0005","90","","101.75","0.003","90","","1995.13","0.13","107.1","","107.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 N2 O Ti -","- C18 H24 Cl2 N2 O Ti -","- C72 H96 Cl8 N8 O4 Ti4 -","4","1","","Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian","Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers","Polymer Chemistry","2018","9","1","48","","10.1039/C7PY01807J","","","0.7107","MoKα","","0.0393","0.0318","","","0.0732","0.0777","","","","","","1.048","","","","has coordinates","230954","2020-10-21","18:00:00",""
"1548393","18.8611","0.001","19.4952","0.0012","19.5123","0.0011","90","","105.765","0.005","90","","6904.8","0.7","106.1","","106.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H47 Cl2 N3 Ti -","- C35.5 H47 Cl2 N3 Ti -","- C284 H376 Cl16 N24 Ti8 -","8","2","","Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian","Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers","Polymer Chemistry","2018","9","1","48","","10.1039/C7PY01807J","","","0.7107","MoKα","","0.0486","0.0369","","","0.0832","0.0891","","","","","","1.021","","","","has coordinates","230954","2020-10-21","18:00:00",""
"1548396","39.7584","0.0002","39.7584","0.0002","39.7584","0.0002","90","","90","","90","","62847.3","0.5","293","2","293","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C28 H30 N4 Ni2 O15 S -","- C28 H30 N4 Ni2 O15 S -","- C1344 H1440 N192 Ni96 O720 S48 -","48","1","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.09","0.0721","","","0.1988","0.2155","","","","","","1.022","","","","has coordinates","228714","2020-10-21","18:00:00",""
"1548397","46.6983","0.0003","46.6983","0.0003","46.6983","0.0003","90","","90","","90","","101836","1.1","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C36 H20 Co2 N6 O15 -","- C36 H21 Co2 N6 O15 -","- C1728 H1008 Co96 N288 O720 -","48","0.25","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.2094","0.1495","","","0.3603","0.444","","","","","","1.059","","","","has coordinates,has disorder","228714","2020-10-21","18:00:00",""
"1548407","13.932","0.003","15.014","0.003","14.827","0.003","90","","107.69","0.03","90","","2954.8","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C88 H88 B8 Cl12 Dy4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0769","0.0399","","","0.0653","0.0753","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548408","13.937","0.003","15.046","0.003","14.786","0.003","90","","107.46","0.03","90","","2957.7","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C88 H88 B8 Cl12 N48 O8 Y4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0969","0.0478","","","0.1054","0.1203","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548409","14.15","0.003","15.225","0.003","14.969","0.003","90","","107.75","0.03","90","","3071.3","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C88 H88 B8 Cl12 Gd4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.2825","0.0933","","","0.0989","0.1463","","","","","","0.814","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548410","14.003","0.003","15.079","0.003","14.825","0.003","90","","107.59","0.03","90","","2984","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C88 H88 B8 Cl12 N48 O8 Tb4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0683","0.0405","","","0.096","0.1078","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548427","17.6","0.002","19.466","0.002","20.232","0.003","90","","96.305","0.002","90","","6889.6","1.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C304 H384 B16 N16 O16 -","8","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0994","0.0749","","","0.1645","0.1804","","","","","","1.128","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548428","11.335","0.004","10.991","0.004","35.202","0.013","90","","95.263","0.005","90","","4367","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1014","0.0829","","","0.1914","0.2045","","","","","","1.151","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548429","8.723","0.0016","23.773","0.004","13.264","0.003","90","","99.499","0.003","90","","2712.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 B2 N O2 -","- C29 H39 B2 N O2 -","- C116 H156 B8 N4 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0811","0.0652","","","0.157","0.1711","","","","","","1.129","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548430","10.134","0.003","18.98","0.006","13.58","0.004","90","","96.976","0.006","90","","2592.7","1.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B2 N2 O2 -","- C28 H38 B2 N2 O2 -","- C112 H152 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0829","0.0632","","","0.1424","0.156","","","","","","1.105","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548431","8.4242","0.0016","15.698","0.003","28.081","0.005","89.956","0.007","87.717","0.006","89.896","0.006","3710.6","1.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 B2 N2 O4 -","- C40 H50 B2 N2 O4 -","- C160 H200 B8 N8 O16 -","4","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1958","0.0962","","","0.1939","0.2616","","","","","","1.061","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548432","10.951","0.002","14.21","0.003","16.118","0.003","104.201","0.003","92.6541","0.0011","111.94","0.003","2228.7","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.102","0.059","","","0.1245","0.1501","","","","","","0.986","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548433","10.6242","0.0017","20.635","0.004","22.708","0.004","90","","100.578","0.003","90","","4893.7","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B2 N3 O2 -","- C54 H69 B2 N3 O2 -","- C216 H276 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1416","0.0985","","","0.2623","0.3028","","","","","","1.115","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548434","10.981","0.002","10.43","0.002","28.55","0.006","90","","94.578","0.004","90","","3259.5","1.1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1068","0.0762","","","0.1771","0.1986","","","","","","1.065","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548435","15.319","0.002","13.7912","0.0018","17.481","0.003","90","","112.051","0.002","90","","3423","0.9","93.15","","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0847","0.0603","","","0.1402","0.1588","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548436","8.565","0.003","33.036","0.012","11.991","0.005","90","","90.444","0.004","90","","3393","2","93.15","","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C152 H192 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1455","0.0904","","","0.1686","0.1963","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548437","14.692","0.007","11.21","0.005","27.115","0.012","90","","105.567","0.007","90","","4302","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1242","0.0985","","","0.2047","0.2199","","","","","","1.198","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548438","11.4491","0.0018","12.8149","0.0017","15.929","0.002","74.652","0.008","86.76","0.008","65.452","0.005","2046.2","0.5","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 B2 N2 O4 -","- C45 H62 B2 N2 O4 -","- C90 H124 B4 N4 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1155","0.075","","","0.2066","0.2377","","","","","","0.968","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548439","8.034","0.003","10.856","0.004","26.173","0.01","97.069","0.005","97.132","0.008","102.212","0.009","2187.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1616","0.0897","","","0.1617","0.203","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548440","11.821","0.003","12.93","0.003","16.755","0.004","101.05","0.003","95.8819","0.0019","111.862","0.003","2289.8","1","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H63 B2 N3 O2 -","- C53 H63 B2 N3 O2 -","- C106 H126 B4 N6 O4 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1247","0.0652","","","0.1318","0.1605","","","","","","0.989","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548441","16.004","0.004","21.403","0.005","32.93","0.008","90","","90","","90","","11280","5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C468 H564 B24 F36 N24 O24 -","12","3","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0961","0.0893","","","0.2177","0.2235","","","","","","1.143","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548442","14.252","0.003","17.527","0.003","14.877","0.003","90","","93.855","0.003","90","","3707.8","1.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C156 H188 B8 F12 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1162","0.0767","","","0.1719","0.1975","","","","","","1.101","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548443","9.894","0.003","12.714","0.004","16.323","0.004","101.384","0.005","91.511","0.004","100.757","0.004","1973.3","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","1","0.5","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1217","0.0659","","","0.135","0.1656","","","","","","0.992","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548444","10.777","0.005","8.468","0.004","38.298","0.017","90","","95.088","0.007","90","","3481","3","93.15","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 B2 Cl N2 O2 -","- C38 H47 B2 Cl N2 O2 -","- C152 H188 B8 Cl4 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1323","0.0983","","","0.1784","0.1962","","","","","","1.163","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548445","19.208","0.003","13.253","0.002","16.091","0.003","90","","90","","90","","4096.2","1.2","93.15","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H64 B2 N2 O3 -","- C45 H64 B2 N2 O3 -","- C180 H256 B8 N8 O12 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0952","0.07","","","0.151","0.1669","","","","","","1.025","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548455","10.3192","0.0003","11.0867","0.0004","17.4057","0.0006","90","","90","","90","","1991.31","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0296","0.028","","","0.0682","0.0691","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548456","6.1094","0.0003","14.2823","0.0006","19.8409","0.0008","90","","90","","90","","1731.24","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0303","0.0285","","","0.0687","0.0698","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548457","7.9717","0.0003","9.2791","0.0004","14.2492","0.0006","95.3798","0.0016","105.336","0.0017","98.2795","0.0016","996.24","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C54 H42 N2 O4 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0387","0.0321","","","0.0768","0.0805","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548458","9.495","0.0003","8.8357","0.0003","12.0617","0.0004","90","","90.258","0.002","90","","1011.91","0.06","97","2","97","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0418","0.0337","","","0.0753","0.0786","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548459","23.2043","0.001","30.9754","0.0012","14.803","0.0006","90","","90","","90","","10639.8","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C106 H66 B4 F40 O2 P2 -","- C106 H66 B4 F40 O2 P2 -","- C424 H264 B16 F160 O8 P8 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.1371","0.1081","","","0.1951","0.2058","","","","","","1.161","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548460","11.163","0.0005","16.2067","0.0008","24.8378","0.0011","76.432","0.001","87.505","0.002","76.034","0.002","4238.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H62 B4 F40 O2 P2 -","- C88 H62 B4 F40 O2 P2 -","- C176 H124 B8 F80 O4 P4 -","2","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.0589","0.039","","","0.0786","0.086","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548461","17.6792","0.0014","8.532","0.0007","19.5972","0.0015","90","","99.052","0.004","90","","2919.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 B F10 P -","- C31 H32 B F10 P -","- C124 H128 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.0634","0.045","","","0.0939","0.1002","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548462","13.2212","0.0008","16.1944","0.0012","19.5088","0.0013","90","","94.223","0.002","90","","4165.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B F10 P -","- C40 H34 B F10 P -","- C160 H136 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1101","0.0607","","","0.1257","0.1436","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548463","13.2091","0.0005","14.4202","0.0006","17.4143","0.0007","102.465","0.002","96.491","0.002","91.561","0.002","3213.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B F10 P -","- C34 H38 B F10 P -","- C136 H152 B4 F40 P4 -","4","2","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1963","0.1255","","","0.2056","0.2457","","","","","","1.206","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548464","12.2916","0.0001","38.2278","0.0004","34.996","0.0004","90","","90.268","0.003","90","","16443.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C141 H111 B6 F60 O3 P3 -","- C141 H111 B6 F60 O3 P3 -","- C564 H444 B24 F240 O12 P12 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1379","0.0834","","","0.1772","0.201","","","","","","1.049","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548465","38.4015","0.0012","38.4015","0.0012","38.4015","0.0012","90","","90","","90","","56630","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Mn3 N12 O70 Zr12 -","- C144 H72 Mn3 N12 O70 Zr12 -","- C576 H288 Mn12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.1566","0.1445","","","0.4146","0.4351","","","","","","2.027","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548466","38.672","0.001","38.672","0.001","38.672","0.001","90","","90","","90","","57835","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Mn","","- C144 H72 Mn3 N12 O52 Zr12 -","- C144 H72 Mn3 N12 O52 Zr12 -","- C576 H288 Mn12 N48 O208 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.0949","0.0844","","","0.2432","0.2639","","","","","","1.034","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548488","12.5175","0.0011","13.082","0.0012","13.0989","0.0014","90","","90","","90","","2145","0.4","293","","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0358","0.0293","","0.062","0.0564","0.062","","","","","","0.9936","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548489","11.9968","0.0011","12.5527","0.0011","12.8642","0.0006","90","","90","","90","","1937.2","0.3","293","","293","","","","1400","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0566","0.0458","","0.0689","0.068","0.0689","","","","","","1.001","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548490","11.9924","0.0012","12.5546","0.0011","12.8611","0.0007","90","","90","","90","","1936.4","0.3","293","","293","","","","1600","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.055","0.0441","","0.0702","0.0694","0.0702","","","","","","0.9938","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548491","12.3181","0.0007","12.8429","0.0007","13.038","0.0004","90","","90","","90","","2062.61","0.17","293","","293","","","","580","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0327","0.0291","","0.0706","0.066","0.0706","","","","","","1.0411","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548492","12.2089","0.0009","12.7469","0.0008","12.9686","0.0005","90","","90","","90","","2018.2","0.2","293","","293","","","","900","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.037","0.0306","","0.0522","0.0517","0.0522","","","","","","0.9999","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548493","9.0035","0.0013","9.0035","0.0013","14.39","0.002","90","","90","","90","","1166.5","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br Cl0 O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.0601","0.0588","","","0.1522","0.1537","","","","","","1.053","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548494","8.2193","0.0007","14.718","0.0012","10.7344","0.0008","90","","90","","90","","1298.56","0.18","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H4 Br4 O4 Pb3 -","- C4 H4 Br4 O4 Pb3 -","- C16 H16 Br16 O16 Pb12 -","4","0.5","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.088","0.0851","","","0.2209","0.2268","","","","","","1.077","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548495","8.9917","0.0008","8.9917","0.0008","14.354","0.003","90","","90","","90","","1160.5","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.068","0.0679","","","0.2263","0.2265","","","","","","1.242","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548531","16.9858","0.001","18.4496","0.001","18.8816","0.0011","90","","90","","90","","5917.1","0.6","100","2","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H46 Cl4 Eu N8 O Zn -","- C19 H46 Cl4 Eu N8 O Zn -","- C152 H368 Cl32 Eu8 N64 O8 Zn8 -","8","1","","Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.","First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.","Chemical science","2018","9","5","1273","1278","10.1039/c7sc02479g","","","0.71073","MoKα","","0.0646","0.0289","","","0.0526","0.0625","","","","","","1.047","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548532","22.851","0.003","5.7145","0.0006","16.97","0.002","90","","98.174","0.003","90","","2193.5","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.059","0.0474","","","0.1199","0.1298","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548533","15.0937","0.0012","17.6924","0.0014","9.6626","0.0008","90","","90","","90","","2580.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H41 O2 W0.5 -","- C27 H41 O2 W0.5 -","- C108 H164 O8 W2 -","4","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0311","0.0234","","","0.0487","0.0511","","","","","","1.06","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548534","13.4644","0.0006","13.7709","0.0006","18.7517","0.0008","106.468","0.002","110.976","0.002","96.554","0.002","3021.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H87 O4 P W -","- C68 H87 O4 P W -","- C136 H174 O8 P2 W2 -","2","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0337","0.0257","","","0.0588","0.0616","","","","","","1.049","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548543","6.746","0.003","7.246","0.003","7.434","0.003","77.801","0.007","83.65","0.008","88.409","0.007","353","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","1","0.5","","Zeng, Qingying; Mukherjee, Arijit; Müller, Peter; Rogers, Robin D.; Myerson, Allan S.","Exploring the role of ionic liquids to tune the polymorphic outcome of organic compounds.","Chemical science","2018","9","6","1510","1520","10.1039/c7sc04353h","","","0.71073","MoKα","","0.079","0.0624","","","0.1933","0.2064","","","","","","1.077","","","","has coordinates,has disorder","228734","2020-10-21","18:00:00",""
"1548544","7.0719","0.0014","11.897","0.002","15.148","0.003","76.92","0.03","86.12","0.03","85.2","0.03","1235.5","0.4","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 Al N2 -","- C24 H31 Al N2 -","- C48 H62 Al2 N4 -","2","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0737","0.0478","","","0.1236","0.1336","","","","","","0.951","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548545","8.6985","0.0017","11.354","0.002","28.622","0.006","90","","94.73","0.03","90","","2817.2","1","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 Al N2 -","- C30 H43 Al N2 -","- C120 H172 Al4 N8 -","4","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0564","0.0509","","","0.1359","0.1411","","","","","","1.078","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548546","15.263","0.003","11.695","0.002","25.821","0.005","90","","106.57","0.03","90","","4417.7","1.6","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 N4 Sc Si -","- C48 H61 N4 Sc Si -","- C192 H244 N16 Sc4 Si4 -","4","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0748","0.0603","","","0.1467","0.1564","","","","","","1.114","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548547","7.8769","0.0016","28.84","0.006","10.921","0.002","90","","106.63","0.03","90","","2377.2","0.9","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Al N2 -","- C26 H35 Al N2 -","- C104 H140 Al4 N8 -","4","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0683","0.0581","","","0.1509","0.1597","","","","","","1.105","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548565","12.6608","0.0008","17.559","0.0013","18.5345","0.0014","90","","90","","90","","4120.4","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51.88 Br4 Co N3 O Zn -","- C37 H51.884 Br4 Co N3 O Zn -","- C148 H207.536 Br16 Co4 N12 O4 Zn4 -","4","1","","Werth, Jacob; Uyeda, Christopher","Regioselective Simmons-Smith-type cyclopropanations of polyalkenes enabled by transition metal catalysis.","Chemical science","2018","9","6","1604","1609","10.1039/c7sc04861k","","","1.54178","CuKα","","0.057","0.0482","","","0.119","0.1234","","","","","","1.022","","","","has coordinates,has disorder","228736","2020-10-21","18:00:00",""
"1548566","9.0343","0.0001","10.2063","0.0002","11.0348","0.0002","66.3381","0.0018","70.1856","0.0017","78.1262","0.0019","873.89","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-3,4,5-trifluorophenylborinic acid benzylamine complex","","- C19 H14 B F6 N O -","- C19 H14 B F6 N O -","- C38 H28 B2 F12 N2 O2 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0553","0.0426","","","0.1","0.1073","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548567","14.1158","0.0003","8.9604","0.0002","18.8756","0.0004","90","","90.0788","0.0017","90","","2387.44","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(phenyl)borinic acid benzylaminobenzoate","","- C27 H26 B Cl2 N O2 -","- C27 H26 B Cl2 N O2 -","- C108 H104 B4 Cl8 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0883","0.0488","","","0.0972","0.1105","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548568","10.014","0.0003","11.7859","0.0004","23.0748","0.0007","103.818","0.0008","98.0649","0.001","96.9376","0.0009","2584.47","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylamine-4'-phenylbutanoate","","- C29 H24 B F6 N O2 -","- C29 H24 B F6 N O2 -","- C116 H96 B4 F24 N4 O8 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0608","0.0579","","","0.1578","0.1626","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548569","12.8358","0.0009","12.6583","0.0009","12.8851","0.0009","90","","119.06","0.002","90","","1830","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0594","0.0409","","","0.1042","0.116","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548570","10.635","0.0005","11.4814","0.0005","12.2457","0.0006","83.1389","0.0018","87.0947","0.0019","64.1817","0.0017","1336.36","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-iodophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 I2 O5 -","- C28 H22 B2 I2 O5 -","- C56 H44 B4 I4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0448","0.0286","","","0.0538","0.058","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548571","9.2006","0.0002","11.4729","0.0004","13.1121","0.0004","101.57","0.003","99.773","0.002","98.085","0.003","1314.22","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-(2-chlorophenyl)borinic acid benzylamine-4-phenylbutanoat","","- C29 H28 B Cl2 N O2 -","- C29 H28 B Cl2 N O2 -","- C58 H56 B2 Cl4 N2 O4 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.07","0.0484","","","0.1119","0.1263","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548572","10.1019","0.0004","11.7656","0.0005","19.567","0.0009","90","","103.69","0.0015","90","","2259.56","0.17","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylaminobenzoat","","- C26 H18 B F6 N O2 -","- C26 H18 B F6 N O2 -","- C104 H72 B4 F24 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0469","0.0373","","","0.0913","0.0976","","","","","","1.017","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548573","11.75","0.0005","11.0269","0.0004","13.1973","0.0005","90","","97.3307","0.0014","90","","1695.95","0.11","120","","120","","","","","","","","","8","P 1 c 1","P -2yc","7","","Bis-3,4,5-trifluorophenylborinic acid ethylenediamine complex","","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C58 H52 B4 Cl6 D2 F24 N8 O4 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0535","0.0459","","","0.1211","0.1267","","","","","","1.019","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548574","10.372","0.0005","11.1795","0.0005","12.3123","0.0006","106.545","0.0014","111.492","0.0014","96.8493","0.0015","1232.74","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","3,4,5-Trifluorophenylboroxine – benzylamine complex","","- C25 H15 B3 F9 N O3 -","- C25 H15 B3 F9 N O3 -","- C50 H30 B6 F18 N2 O6 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0432","0.0358","","","0.0954","0.1003","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548575","17.083","0.004","13.093","0.003","7.99","0.002","90","","90","","90","","1787.1","0.7","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0781","0.0445","","","0.1031","0.117","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548576","21.212","0.0009","11.2705","0.0005","18.8494","0.0008","90","","114.886","0.0016","90","","4087.9","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenylboroxine complex with 4 equiv. benzylamine","","- C46 H51 B3 N4 O3 -","- C46 H51 B3 N4 O3 -","- C184 H204 B12 N16 O12 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.074","0.0496","","","0.1053","0.1169","","","","","","1.039","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548577","10.4296","0.0005","11.147","0.0006","11.7996","0.0006","84.748","0.002","87.958","0.002","67.5356","0.0019","1262.39","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-chlorophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 Cl2 O5 -","- C28 H22 B2 Cl2 O5 -","- C56 H44 B4 Cl4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0637","0.0427","","","0.1019","0.1111","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548578","11.2396","0.0004","15.2054","0.0006","17.9361","0.0007","89.7333","0.0016","72.0196","0.0015","84.3291","0.0017","2900.27","0.19","120","","120","","","","","","","","","5","P -1","-P 1","2","","phenylboroxine complex with 2 equiv. benzylamine","","- C32 H33 B3 N2 O3 -","- C32 H33 B3 N2 O3 -","- C128 H132 B12 N8 O12 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0624","0.0445","","","0.1005","0.1087","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548579","12.8086","0.0004","12.6262","0.0004","12.8625","0.0005","90","","119.598","0.002","90","","1808.74","0.11","220","","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0715","0.0628","","","0.1811","0.1941","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548590","38.4003","0.0015","9.7146","0.0004","18.3058","0.0008","90","","114.338","0.002","90","","6222","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 B N O -","- C39 H42 B N O -","- C312 H336 B8 N8 O8 -","8","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0991","0.0596","","","0.132","0.1492","","","","","","1.043","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548591","8.488","0.0006","10.8609","0.0007","12.4693","0.0009","97.707","0.002","98.593","0.002","105.796","0.002","1075.07","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0939","0.0624","","","0.1625","0.1768","","","","","","1.112","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548592","12.3452","0.0006","9.0371","0.0005","20.4924","0.001","90","","91.199","0.002","90","","2285.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 B N O -","- C27 H32 B N O -","- C108 H128 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0913","0.061","","","0.1538","0.1686","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548593","10.146","0.003","16.684","0.005","16.55","0.005","90","","103.602","0.008","90","","2722.9","1.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N O -","- C28 H34 B N O -","- C112 H136 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.1395","0.0762","","","0.1781","0.205","","","","","","0.963","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548594","17.551","0.006","15.552","0.005","17.729","0.006","90","","93.183","0.008","90","","4832","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 B N2 Se2 -","- C23 H37 B N2 Se2 -","- C184 H296 B8 N16 Se16 -","8","2","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.2188","0.0694","","","0.1626","0.2245","","","","","","0.97","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548595","18.966","0.004","13.037","0.003","18.816","0.005","90","","97.143","0.01","90","","4616.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 B2 N4 S -","- C49 H70 B2 N4 S -","- C196 H280 B8 N16 S4 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.219","0.0779","","","0.1632","0.2174","","","","","","0.951","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548596","16.059","0.003","17.563","0.003","17.928","0.003","90","","103.042","0.005","90","","4926.1","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 Se3 -","- C50 H78 B2 N4 O2 Se3 -","- C200 H312 B8 N16 O8 Se12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1018","0.0574","","","0.0891","0.1007","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548597","15.945","0.003","17.53","0.004","17.924","0.003","90","","102.905","0.004","90","","4883.5","1.7","100","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 S3 -","- C50 H78 B2 N4 O2 S3 -","- C200 H312 B8 N16 O8 S12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1619","0.0738","","","0.1255","0.1523","","","","","","0.985","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548598","10.784","0.004","16.852","0.005","19.026","0.006","90","","91.03","0.03","90","","3457","2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O Se2 -","- C37 H49 B N2 O Se2 -","- C148 H196 B4 N8 O4 Se8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1634","0.0648","","","0.1155","0.144","","","","","","0.956","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548599","8.8508","0.0009","8.8654","0.0008","14.6186","0.0015","75.639","0.003","86.11","0.003","80.401","0.003","1095.24","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","1","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0847","0.0605","","","0.1429","0.1595","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548600","17.8352","0.0015","16.7797","0.0016","28.365","0.003","90","","90","","90","","8488.8","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H62 B2 N4 Se -","- C42 H62 B2 N4 Se -","- C336 H496 B16 N32 Se8 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0869","0.0508","","","0.1029","0.1182","","","","","","1.097","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548601","16.39","0.03","17.61","0.03","38.28","0.07","90","","90","","90","","11049","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H86 B2 N4 O3 S4 -","- C54 H86 B2 N4 O3 S4 -","- C432 H688 B16 N32 O24 S32 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.4879","0.215","","","0.4095","0.537","","","","","","1.036","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548602","10.672","0.002","16.818","0.004","18.902","0.005","90","","91.75","0.03","90","","3391","1.4","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O S2 -","- C37 H49 B N2 O S2 -","- C148 H196 B4 N8 O4 S8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0423","0.0352","","","0.0865","0.0917","","","","","","1.022","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548603","8.8289","0.0011","8.8405","0.0016","14.667","0.003","85.939","0.013","75.916","0.01","79.987","0.01","1093","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B N2 Se -","- C24 H34 B N2 Se -","- C48 H68 B2 N4 Se2 -","2","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0896","0.0536","","","0.0969","0.1099","","","","","","0.998","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548613","6.1624","0.0006","7.7041","0.0007","30.136","0.003","90","","90","","90","","1430.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Luo, Hongwen; Yang, Zheng; Lin, Weilong; Zheng, Yangguangyan; Ma, Shengming","A catalytic highly enantioselective allene approach to oxazolines.","Chemical science","2018","9","7","1964","1969","10.1039/c7sc04079b","","","0.71073","MoKα","","0.026","0.023","","","0.0559","0.0569","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548614","13.751","0.005","16.557","0.006","28.155","0.01","90","","93.121","0.004","90","","6401","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37.5 B I2 N O -","- C33 H38 B I2 N O -","- C264 H304 B8 I16 N8 O8 -","8","2","","Qi, Yanyu; Xu, Wenjun; Kang, Rui; Ding, Nannan; Wang, Yelei; He, Gang; Fang, Yu","Discrimination of saturated alkanes and relevant volatile compounds <i>via</i> the utilization of a conceptual fluorescent sensor array based on organoboron-containing polymers.","Chemical science","2018","9","7","1892","1901","10.1039/c7sc05243j","","","0.71073","MoKα","","0.0888","0.0732","","","0.1701","0.1792","","","","","","1.316","","","","has coordinates","228791","2020-10-21","18:00:00",""
"1548615","11.4664","0.0002","24.2697","0.0004","28.3765","0.0005","67.455","0.0007","88.576","0.0007","85.754","0.0007","7273.2","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H61 Li Ni O8.25 -","- C35.5 H61 Li Ni O8.25 -","- C284 H488 Li8 Ni8 O66 -","8","4","","Iwasaki, Takanori; Fukuoka, Asuka; Yokoyama, Wataru; Min, Xin; Hisaki, Ichiro; Yang, Tao; Ehara, Masahiro; Kuniyasu, Hitoshi; Kambe, Nobuaki","Nickel-catalyzed coupling reaction of alkyl halides with aryl Grignard reagents in the presence of 1,3-butadiene: mechanistic studies of four-component coupling and competing cross-coupling reactions.","Chemical science","2018","9","8","2195","2211","10.1039/c7sc04675h","","","1.54187","CuKα","","0.1745","0.1017","","","0.2986","0.3607","","","","","","1.052","","","","has coordinates,has disorder","228677","2020-10-21","18:00:00",""
"1548634","13.4779","0.0014","8.1983","0.0009","31.894","0.003","90","","90","","90","","3524.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 N O S -","- C19 H27 N O S -","- C152 H216 N8 O8 S8 -","8","1","","Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao","Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.","Chemical science","2018","9","7","1846","1853","10.1039/c7sc04580h","","","0.71073","MoKα","","0.0563","0.0466","","","0.1143","0.121","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548635","9.7798","0.0002","10.6568","0.0002","17.5257","0.0003","90","","90","","90","","1826.55","0.06","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zheng, Xinxin; Guo, Rui; Zhang, Guozhu; Zhang, Dayong","Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C-C bond cleavage: efficient access to <i>trans</i>-bicyclic compounds.","Chemical science","2018","9","7","1873","1877","10.1039/c7sc04784c","","","1.54178","CuKα","","0.0454","0.0426","","","0.1134","0.1179","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548636","7.786","0.003","8.024","0.003","16.081","0.005","90","","90","","90","","1004.7","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Ag N O4 -","- C8 H14 Ag N O4 -","- C32 H56 Ag4 N4 O16 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0163","0.0162","","","0.0441","0.0442","","","","","","1.028","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548637","16.509","0.001","8.4282","0.0005","13.9655","0.0008","90","","114.69","0.001","90","","1765.53","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N O3 Si -","- C18 H20 Ag N O3 Si -","- C72 H80 Ag4 N4 O12 Si4 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0395","0.0369","","","0.1133","0.1174","","","","","","1.009","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548638","15.186","0.002","13.4178","0.0013","17.1643","0.0016","90","","112.449","0.0014","90","","3232.4","0.6","100","0.5","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","neivf10","","","- C30.71 H44.57 Br1.14 Fe N2 O2.86 -","- C30.712 H44.568 Br1.144 Fe N2 O2.856 -","- C122.848 H178.272 Br4.576 Fe4 N8 O11.424 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0822","0.0512","","","0.1039","0.1148","","","","","","1.005","","","","has coordinates,has disorder","228785","2020-10-21","18:00:00",""
"1548639","10.0953","0.0008","10.9483","0.0008","17.657","0.0013","88.7501","0.0016","75.1691","0.0016","88.9205","0.0016","1885.9","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neism54","","","- C39 H60 Fe N2 O4 -","- C39 H60 Fe N2 O4 -","- C78 H120 Fe2 N4 O8 -","2","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0725","0.0484","","","0.1339","0.1459","","","","","","1.047","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548640","11.2603","0.0006","22.9235","0.0012","16.1864","0.0009","90","","103.878","0.0011","90","","4056.2","0.4","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","neism35","","","- C33 H46 Fe N2 O4 -","- C33 H46 Fe N2 O4 -","- C132 H184 Fe4 N8 O16 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0481","0.0341","","","0.0753","0.0808","","","","","","0.981","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548651","21.2508","0.0003","21.6182","0.0002","39.5929","0.0004","93.208","0.001","101.624","0.001","118.521","0.001","15407.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C250.5 H168.5 B5 Co6 F41 N47 O21.25 S7 -","- C247.5 H168.5 B5 Co6 F32 N47 O12.25 S4 -","- C495 H337 B10 Co12 F64 N94 O24.5 S8 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1226","0.1132","","","0.27","0.2782","","","","","","1.058","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548652","25.0303","0.0004","26.7592","0.0005","34.5514","0.0007","68.113","0.0017","88.8092","0.0017","66.5154","0.0014","19472.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C273 H263.5 B60.5 Co6 F19.5 N62.5 O20.5 S6.5 -","- C265.001 H263.5 B66 Co6 F12.003 N62.5 O13.003 S4.001 -","- C530.002 H527 B132 Co12 F24.006 N125 O26.006 S8.002 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1399","0.1179","","","0.3293","0.3464","","","","","","1.146","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548653","15.5829","0.0011","39.582","0.003","16.2027","0.0011","90","","110.448","0.002","90","","9364.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H130 Cl2 N4 Ni2 O5 -","- C85 H114 N4 Ni2 O5 -","- C340 H456 N16 Ni8 O20 -","4","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","0.7749","Synchrotron","","0.0626","0.0439","","","0.1126","0.1206","","","","","","1.033","","","","has coordinates","228730","2020-10-21","18:00:00",""
"1548654","11.4567","0.0007","13.1358","0.001","25.5529","0.0016","82.482","0.005","89.48","0.004","67.19","0.005","3510.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H96 N6 Ni2 O4 -","- C72 H96 N6 Ni2 O4 -","- C144 H192 N12 Ni4 O8 -","2","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0793","0.0599","","","0.1685","0.1848","","","","","","1.044","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548655","29.9305","0.0005","12.1234","0.0002","47.9429","0.0008","90","","90","","90","","17396.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H139 N4 Ni2 O4 -","- C68 H90 N4 Ni2 O4 -","- C544 H720 N32 Ni16 O32 -","8","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0893","0.0555","","","0.125","0.1382","","","","","","1.08","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548656","13.7157","0.0004","21.388","0.0007","65.483","0.002","90","","90","","90","","19209.5","1","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C192 H133 Ca2 O29 P4 -","- C192 H133 Ca2 O29 P4 -","- C768 H532 Ca8 O116 P16 -","4","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0928","0.063","","","0.1295","0.1434","","","","","","0.928","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548657","4.681","0.0005","6.1091","0.0007","14.2048","0.0016","100.603","0.008","92.652","0.008","94.55","0.009","397.25","0.08","100","2","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","1","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0517","0.0485","","","0.1197","0.1266","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548659","13.855","0.004","9.378","0.002","30.742","0.008","90","","101.648","0.003","90","","3912.1","1.7","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C156 H156 B4 Fe4 N16 O4 P4 Zn4 -","2","0.5","","Abubekerov, Mark; Wei, Junnian; Swartz, Kevin R.; Xie, Zhixin; Pei, Qibing; Diaconescu, Paula L.","Preparation of multiblock copolymers <i>via</i> step-wise addition of l-lactide and trimethylene carbonate.","Chemical science","2018","9","8","2168","2178","10.1039/c7sc04507g","","","0.71073","MoKα","","0.0979","0.0793","","","0.2114","0.2198","","","","","","1.038","","","","has coordinates,has disorder","228680","2020-10-21","18:00:00",""
"1548660","17.2181","0.0008","12.9003","0.0007","14.6113","0.0009","90","","110.082","0.002","90","","3048.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 B9 Hf2 -","- C27 H35 B9 Hf2 -","- C108 H140 B36 Hf8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","1.54178","CuKα","","0.1043","0.0783","","","0.2117","0.2342","","","","","","1.059","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548661","17.2544","0.0006","12.8796","0.0003","14.6295","0.0005","90","","109.855","0.002","90","","3057.85","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B9 Zr2 -","- C27 H39 B9 Zr2 -","- C108 H156 B36 Zr8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0667","0.0375","","","0.0767","0.088","","","","","","1.021","","","","has coordinates,has disorder","228789","2020-10-21","18:00:00",""
"1548662","9.3061","0.0008","7.8838","0.0007","14.9171","0.0012","90","","100.72","0.002","90","","1075.33","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 B5 Hf2 -","- C20 H24 B5 Hf2 -","- C40 H48 B10 Hf4 -","2","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0497","0.0396","","","0.0911","0.0968","","","","","","1.022","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548696","10.039","0.003","14.627","0.004","11.432","0.003","90","","96.919","0.005","90","","1666.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B10 -","- C12 H20 B10 -","- C48 H80 B40 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0879","0.0629","","","0.1704","0.1971","","","","","","1.02","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548697","11.7439","0.0006","8.5035","0.0005","12.5486","0.0007","90","","108.228","0.001","90","","1190.27","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 S -","- C5 H14 B10 S -","- C20 H56 B40 S4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0526","0.0459","","","0.1353","0.1417","","","","","","1.104","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548698","6.955","0.0009","10.8072","0.0014","16.754","0.002","90","","90","","90","","1259.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 B10 O2 -","- C5 H16 B10 O2 -","- C20 H64 B40 O8 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1086","0.083","","","0.2047","0.2314","","","","","","1.05","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548699","11.9424","0.0013","8.5259","0.0008","13.3359","0.0012","90","","108.729","0.006","90","","1286","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H17 B10 N -","- C6 H17 B10 N -","- C24 H68 B40 N4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1208","0.0768","","","0.2184","0.2534","","","","","","1.065","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548700","8.9977","0.0004","9.8055","0.0005","11.2475","0.0007","87.61","0.002","66.4692","0.0016","73.9029","0.0015","871.46","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 B10 N -","- C14 H19 B10 N -","- C28 H38 B20 N2 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0928","0.0702","","","0.2005","0.2136","","","","","","1.185","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548701","11.9668","0.0012","12.4954","0.0012","14.9348","0.0015","87.27","0.006","75.356","0.006","88.638","0.006","2158","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 B10 Li O10 -","- C36 H67 B10 Li O10 -","- C72 H134 B20 Li2 O20 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1902","0.1105","","","0.2813","0.3299","","","","","","1.055","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548702","9.769","0.003","13.123","0.003","10.039","0.003","90","","114.345","0.003","90","","1172.5","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C58 H50 N2 O6 S2 -","2","1","","Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao","Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with <i>N</i>-sulfonylimines: a facile synthesis of tetrahydropyridines.","Chemical science","2018","9","7","1831","1835","10.1039/c7sc04515h","","","0.71073","MoKα","","0.0433","0.0413","","","0.0895","0.0909","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548722","8.6681","0.0006","10.3977","0.0007","11.4123","0.0008","90","","90","","90","","1028.57","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 O P -","- C12 H15 O P -","- C48 H60 O4 P4 -","4","1","","Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun","Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination.","Chemical science","2018","9","7","1867","1872","10.1039/c7sc04381c","","","1.54178","CuKα","","0.0254","0.0252","","","0.0609","0.0612","","","","","","1.134","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548723","8.2245","0.0016","17.776","0.004","10.845","0.002","90","","109.79","0.03","90","","1491.9","0.6","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C26 H49 O3 Sc Si2 -","- C26 H49 O3 Sc Si2 -","- C52 H98 O6 Sc2 Si4 -","2","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0501","0.0484","","","0.1156","0.1171","","","","","","1.05","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548724","8.2286","0.0016","17.857","0.004","10.889","0.002","90","","109.76","0.03","90","","1505.8","0.6","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","3","","- C26 H49 Lu O3 Si2 -","- C26 H49 Lu O3 Si2 -","- C52 H98 Lu2 O6 Si4 -","2","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0402","0.0389","","","0.0913","0.0939","","","","","","1.062","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548725","13.3321","0.0006","15.5971","0.0007","16.0371","0.0007","90","","104.67","0.001","90","","3226.1","0.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6","","- C28 H53 Lu O3 Si2 -","- C28 H53 Lu O3 Si2 -","- C112 H212 Lu4 O12 Si8 -","4","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0282","0.0233","","","0.0606","0.0623","","","","","","1.13","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548738","14.6048","0.0015","7.4486","0.0004","9.5237","0.0005","90","","90","","90","","1036.04","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0573","0.0424","","","0.0977","0.1197","","","","","","1.187","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548739","14.7295","0.0011","7.3639","0.0003","9.5828","0.0004","90","","90","","90","","1039.41","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0676","0.0497","","","0.1216","0.1486","","","","","","1.113","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548740","14.7688","0.001","7.3395","0.0003","9.5973","0.0004","90","","90","","90","","1040.31","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0744","0.0551","","","0.1495","0.1859","","","","","","1.159","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548741","14.5868","0.0013","7.4684","0.0003","9.513","0.0005","90","","90","","90","","1036.35","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0819","0.0587","","","0.1418","0.1736","","","","","","1.139","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548742","14.471","0.0009","7.5428","0.0003","9.4556","0.0005","90","","90","","90","","1032.1","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0631","0.0486","","","0.1182","0.1451","","","","","","1.202","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548743","14.7589","0.0012","7.348","0.0003","9.5909","0.0004","90","","90","","90","","1040.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0764","0.0568","","","0.1436","0.1891","","","","","","1.132","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548744","14.5467","0.0012","7.4933","0.0004","9.4931","0.0005","90","","90","","90","","1034.77","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0761","0.0562","","","0.1391","0.1707","","","","","","1.134","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548745","14.6615","0.0014","7.4138","0.0004","9.5536","0.0005","90","","90","","90","","1038.45","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.064","0.0463","","","0.1094","0.1321","","","","","","1.121","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548746","14.7005","0.0012","7.3877","0.0003","9.5676","0.0005","90","","90","","90","","1039.07","0.11","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0723","0.0514","","","0.1235","0.1517","","","","","","1.073","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548747","14.6166","0.0011","7.4465","0.0003","9.5286","0.0005","90","","90","","90","","1037.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0756","0.0564","","","0.1381","0.1676","","","","","","1.133","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548748","14.4836","0.0012","7.5409","0.0004","9.4574","0.0005","90","","90","","90","","1032.93","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0725","0.055","","","0.1457","0.1751","","","","","","1.144","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548749","14.8308","0.0013","7.2957","0.0004","9.6188","0.0005","90","","90","","90","","1040.76","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0681","0.0485","","","0.1191","0.1495","","","","","","1.165","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548752","24.8934","0.0003","13.45834","0.00018","18.5282","0.0003","90","","90","","90","","6207.39","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H33 F4 Mg N3 -","- C34 H33 F4 Mg N3 -","- C272 H264 F32 Mg8 N24 -","8","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0513","0.0414","","","0.0987","0.1073","","","","","","1.027","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548753","11.7887","0.0007","12.0703","0.0006","21.6822","0.0007","80.152","0.003","74.593","0.004","66.945","0.005","2729","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H81 Mg N4 Zn -","- C58.5 H81 Mg N4 Zn -","- C117 H162 Mg2 N8 Zn2 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0636","0.046","","","0.0986","0.1071","","","","","","1.028","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548754","14.5708","0.0008","14.6964","0.0008","18.2421","0.0007","91.379","0.004","93.348","0.004","91.651","0.004","3896.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H115 F3 Mg3 N6 -","- C81 H115 F3 Mg3 N6 -","- C162 H230 F6 Mg6 N12 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0831","0.049","","","0.1137","0.1262","","","","","","0.876","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548755","11.8799","0.0007","16.0457","0.0008","17.2413","0.0008","83.738","0.004","85.661","0.004","88.935","0.004","3257.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H36.5 F4 Mg N3 -","- C35.5 H36.5 F4 Mg N3 -","- C142 H146 F16 Mg4 N12 -","4","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0996","0.064","","","0.1646","0.2005","","","","","","1.007","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548756","10.18598","0.00012","24.1833","0.0003","23.1663","0.0003","90","","99.0832","0.0012","90","","5635.01","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H84 Mg N6 Zn -","- C59 H84 Mg N6 Zn -","- C236 H336 Mg4 N24 Zn4 -","4","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0391","0.0329","","","0.0861","0.0907","","","","","","1.048","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548757","13.4443","0.0003","8.2978","0.0002","19.6313","0.0005","90","","102.544","0.002","90","","2137.75","0.09","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H58 Mg N4 Zn -","- C46 H58 Mg N4 Zn -","- C92 H116 Mg2 N8 Zn2 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0541","0.0402","","","0.1018","0.1132","","","","","","1.017","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548758","15.6052","0.0004","24.2499","0.0005","23.5838","0.0005","90","","102.23","0.002","90","","8722.1","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46.5 H56 F4 N3 Zn -","- C46.5 H56 F4 N3 Zn -","- C372 H448 F32 N24 Zn8 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0667","0.0442","","","0.1208","0.1384","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:06:54",""
"1548759","12.3877","0.0006","22.4084","0.001","19.0461","0.0007","90","","90.149","0.004","90","","5287","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Mg N4 O Zn -","- C56 H78 Mg N4 O Zn -","- C224 H312 Mg4 N16 O4 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0693","0.0462","","","0.1058","0.1178","","","","","","1.031","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548760","21.9257","0.0003","15.7003","0.0002","37.0659","0.0006","90","","97.8995","0.0014","90","","12638.5","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H99 Al Mg N4 -","- C59 H85 Al Mg N4 -","- C472 H680 Al8 Mg8 N32 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0444","0.0377","","","0.1016","0.1075","","","","","","1.042","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548761","12.7429","0.0002","17.3446","0.0004","13.026","0.0003","90","","101.313","0.002","90","","2823.07","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 N4 Zn3 -","- C58 H82 N4 Zn3 -","- C116 H164 N8 Zn6 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0571","0.0382","","","0.0858","0.0984","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548762","13.75991","0.00019","13.8927","0.0002","26.733","0.0004","90","","90","","90","","5110.34","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H75 Al N4 Zn -","- C54 H75 Al N4 Zn -","- C216 H300 Al4 N16 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.043","0.0352","","","0.0812","0.0867","","","","","","1.014","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548769","6.9832","0.0006","8.5007","0.0007","26.483","0.002","90","","90","","90","","1572.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ngamnithiporn, Aurapat; Jette, Carina I.; Bachman, Shoshana; Virgil, Scott C.; Stoltz, Brian M.","Nickel-catalyzed enantioselective allylic alkylation of lactones and lactams with unactivated allylic alcohols.","Chemical science","2018","9","9","2547","2551","10.1039/c7sc05216b","","","1.54178","CuKα","","0.0278","0.026","","","0.0656","0.0664","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548770","8.7015","0.0013","14.84","0.003","14.86","0.003","90","","105.517","0.0015","90","","1848.9","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(3,5-dichloro-4-pyridyl)(2,4,6-trichlorophenyl)methyl radical","","- C17 H6 Cl7 N2 -","- C17 H6 Cl7 N2 -","- C68 H24 Cl28 N8 -","4","1","","Kimura, Shun; Tanushi, Akira; Kusamoto, Tetsuro; Kochi, Shuntaro; Sato, Tohru; Nishihara, Hiroshi","A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes.","Chemical science","2018","9","7","1996","2007","10.1039/c7sc04034b","","","0.7107","MoKα","","","0.0344","","","","0.0888","","","","","","1.062","","","","has coordinates","228790","2020-10-21","18:00:00",""
"1548829","24.328","0.002","24.845","0.003","32.217","0.003","67.732","0.003","76.94","0.002","84.496","0.003","17553","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C260 H338 Au42 S26 -","- C260 H338 Au42 S26 -","- C520 H676 Au84 S52 -","2","1","","Zhuang, Shengli; Liao, Lingwen; Zhao, Yan; Yuan, Jinyun; Yao, Chuanhao; Liu, Xu; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Is the kernel-staples match a key-lock match?","Chemical science","2018","9","9","2437","2442","10.1039/c7sc05019d","","","0.71073","MoKα","","0.1144","0.0619","","","0.1493","0.1764","","","","","","0.976","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548838","7.4225","0.0005","16.5812","0.001","21.1102","0.0014","82.789","0.003","85.375","0.003","84.403","0.003","2559.1","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C18 H26 N4 O6 S -","- C18 H26 N4 O6 S -","- C72 H104 N16 O24 S4 -","4","4","","Lee, Jisun; Joullié, Madeleine M","Total synthesis of the reported structure of ceanothine D <i>via</i> a novel macrocyclization strategy.","Chemical science","2018","9","9","2432","2436","10.1039/c8sc00234g","","","0.71073","MoKα","","0.0702","0.0659","","","0.167","0.1696","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548839","9.6006","0.0009","15.4568","0.0016","11.7534","0.0011","90","","93.542","0.009","90","","1740.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Ni0.5 O4 -","- C21 H23 Ni0.5 O4 -","- C84 H92 Ni2 O16 -","4","1","","Vijaykumar, Gonela; Pariyar, Anand; Ahmed, Jasimuddin; Shaw, Bikash Kumar; Adhikari, Debashis; Mandal, Swadhin K.","Tuning the redox non-innocence of a phenalenyl ligand toward efficient nickel-assisted catalytic hydrosilylation.","Chemical science","2018","9","10","2817","2825","10.1039/c7sc04687a","","x-ray","0.71073","MoKα","","0.07","0.0578","","","0.1575","0.1734","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548853","7.4148","0.0001","10.3516","0.0003","14.6348","0.0003","82.054","0.008","79.877","0.007","73.007","0.007","1053.02","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N2 O2 S2 -","- C23 H26 N2 O2 S2 -","- C46 H52 N4 O4 S4 -","2","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0324","0.0287","","","0.0796","0.0816","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548854","10.7685","0.0017","14.2394","0.0019","16.386","0.003","90","","108.759","0.0019","90","","2379.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N2 O2 S2 -","- C25 H30 N2 O2 S2 -","- C100 H120 N8 O8 S8 -","4","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0388","0.0342","","","0.0832","0.0865","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548856","8.6947","0.0017","17.563","0.004","10.737","0.002","90","","97.361","0.004","90","","1626.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 -","- C44 H36 N2 -","- C88 H72 N4 -","2","0.5","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1702","0.1127","","","0.316","0.3594","","","","","","1.115","","","","has coordinates,has disorder","301779","2025-08-18","16:06:55",""
"1548857","14.1565","0.0018","17.917","0.002","14.4208","0.0018","90","","99.826","0.002","90","","3604.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N4 O4 -","- C46 H34 N4 O4 -","- C184 H136 N16 O16 -","4","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.0899","0.0569","","","0.1487","0.1833","","","","","","1.035","","","","has coordinates,has disorder","301779","2025-08-18","16:06:55",""
"1548858","11.856","0.007","12.147","0.007","13.446","0.008","102.687","0.008","111.422","0.008","93.005","0.009","1739.8","1.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C92 H68 N8 -","2","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1331","0.0712","","","0.197","0.2394","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548860","13.9558","0.0003","15.4622","0.0003","30.6296","0.0006","90","","90","","90","","6609.5","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36.34 N O2.17 P -","- C42 H36.34 N O2.17 P -","- C336 H290.72 N8 O17.36 P8 -","8","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0359","0.0323","","0.0822","0.0789","0.0822","","","","","","0.9994","","","","has coordinates,has disorder","301779","2025-08-18","16:06:55",""
"1548861","11.4023","0.0002","8.446","0.0001","12.168","0.0002","90","","117.387","0.002","90","","1040.49","0.03","150","","150","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl F6 N -","- C22 H20 Cl F6 N -","- C44 H40 Cl2 F12 N2 -","2","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0365","0.0357","","0.095","0.0937","0.095","","","","","","1.0028","","","","has coordinates,has disorder","301779","2025-08-18","16:06:55",""
"1548862","8.332","0.0001","11.3877","0.0002","22.1875","0.0004","90","","90","","90","","2105.2","0.06","150","","150","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C96 H120 Cl4 N4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0347","0.0317","","0.0852","0.0796","0.0829","","","","","","1.0093","","","","has coordinates,has disorder","301779","2025-08-18","16:06:55",""
"1548863","13.9275","0.0001","18.6673","0.0001","15.2746","0.0001","90","","110.757","0.0008","90","","3713.47","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46.5 H39 Cl N O2 P -","- C46.5 H39 Cl N O2 P -","- C186 H156 Cl4 N4 O8 P4 -","4","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.5418","CuKα","","0.0475","0.0453","","0.1194","0.1169","0.1194","","","","","","1.0071","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548864","24.2085","0.0003","16.0031","0.0002","8.8283","0.0001","90","","90","","90","","3420.18","0.07","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42.45 H36.9 Cl0.9 N O2 P -","- C42.4489 H36.8978 Cl0.8978 N O2 P -","- C169.796 H147.591 Cl3.5912 N4 O8 P4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0375","0.0358","","0.0949","0.0929","0.0949","","","","","","1.0024","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548865","27.8322","0.0003","21.4898","0.0002","26.4066","0.0003","90","","116.468","0.002","90","","14138.5","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 B Cl N6 Ni O2 Si2 -","- C50 H82 B Cl N6 Ni O2 Si2 -","- C400 H656 B8 Cl8 N48 Ni8 O16 Si16 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0528","0.0415","","","0.1177","0.1268","","","","","","1.023","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548866","10.8782","0.0001","25.2119","0.0002","17.866","0.0001","90","","91.948","0.001","90","","4897.1","0.07","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H71 B Cl N5 Ni O3 Si2 -","- C44 H71 B Cl N5 Ni O3 Si2 -","- C176 H284 B4 Cl4 N20 Ni4 O12 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0368","0.0328","","","0.0858","0.0889","","","","","","1.03","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548867","9.8905","0.0012","12.6054","0.0014","16.945","0.002","69.66","0.011","89.159","0.01","78.594","0.01","1938.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H63 B Cl N5 O2 -","- C38 H63 B Cl N5 O2 -","- C76 H126 B2 Cl2 N10 O4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:→ Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1551","0.0939","","","0.2404","0.2981","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:55",""
"1548868","11.0148","0.0004","14.6131","0.0005","22.793","0.0008","84.552","0.003","83.601","0.003","70.398","0.004","3428.1","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H105 B Cl N6 Ni O6 Si2 -","- C66 H104 B Cl N6 Ni O6 Si2 -","- C132 H208 B2 Cl2 N12 Ni2 O12 Si4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0701","0.0565","","","0.1518","0.166","","","","","","1.042","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548869","13.7173","0.0002","15.3059","0.0002","15.7157","0.0002","90","","110.275","0.002","90","","3095.16","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 B Cl N5 -","- C27 H49 B Cl N5 -","- C108 H196 B4 Cl4 N20 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0468","0.0409","","","0.1096","0.1198","","","","","","1.065","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548870","15.6878","0.0002","12.3457","0.0001","36.8495","0.0005","90","","90","","90","","7136.9","0.14","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H59 B Cl N5 O -","- C33 H59 B Cl N5 O -","- C264 H472 B8 Cl8 N40 O8 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0765","0.065","","","0.1842","0.1974","","","","","","1.029","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548871","14.0633","0.0007","26.4632","0.0011","18.1718","0.001","90","","100.801","0.005","90","","6643","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 B Cl N6 Ni O2 Si2 -","- C51 H78 B Cl N6 Ni O2 Si2 -","- C204 H312 B4 Cl4 N24 Ni4 O8 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1852","0.0929","","","0.1819","0.224","","","","","","0.819","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548872","10.17707","0.00014","8.43885","0.00015","18.8541","0.0003","90","","101.724","0.0015","90","","1585.46","0.04","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H12 F6 N O P -","- C15 H12 F6 N O P -","- C60 H48 F24 N4 O4 P4 -","4","2","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","x-ray","1.54184","CuKα","","0.0512","0.0482","","","0.1257","0.1288","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548873","9.524","0.0005","17.1108","0.0009","36.4272","0.0016","90","","90","","90","","5936.3","0.5","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H60 Cl6 O4 Rh2 -","- C65 H60 Cl6 O4 Rh2 -","- C260 H240 Cl24 O16 Rh8 -","4","1","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","","1.54184","CuKα","","0.0687","0.0551","","","0.1219","0.1295","","","","","","1.103","","","","has coordinates","228852","2020-10-21","18:00:00",""
"1548874","10.4786","0.0005","16.101","0.0008","16.7081","0.0008","90","","92.821","0.002","90","","2815.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C64 H144 B40 Cl4 Cu4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0414","0.0284","","","0.0472","0.0501","","","","","","1.041","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548875","10.6009","0.0005","13.8331","0.0007","11.0738","0.0005","90","","103.867","0.002","90","","1576.57","0.13","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C36 H78 Ag2 B20 N4 O14 P4 Ru2 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.025","0.0215","","","0.0379","0.0387","","","","","","1.031","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548876","12.421","0.0005","12.596","0.0006","19.0782","0.0008","90","","101.457","0.002","90","","2925.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C64 H144 Au4 B40 Cl4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0301","0.0225","","","0.034","0.0352","","","","","","1.079","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548877","7.945","0.0003","8.8188","0.0003","17.5482","0.0007","77.665","0.002","82.466","0.002","81.092","0.002","1180.51","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0429","0.0345","","","0.0794","0.0821","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548878","8.002","0.0006","9.1057","0.0007","17.7358","0.0014","76.787","0.004","82.257","0.004","80.099","0.004","1233.2","0.17","277","2","277","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0798","0.0459","","","0.0897","0.0976","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548879","8.3869","0.0007","7.9947","0.0006","19.4819","0.0016","90","","90.1405","0.0011","90","","1306.27","0.18","88","2","88","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C20 H36 B2 Co F8 N6 O2 -","- C20 H36 B2 Co F8 N6 O2 -","- C40 H72 B4 Co2 F16 N12 O4 -","2","0.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.032","0.027","","","0.0666","0.0693","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548880","28.1807","0.0018","13.2001","0.0008","20.3454","0.0013","90","","129.871","0.0006","90","","5808.5","0.6","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 B2 Co F8 N7 O -","- C22 H37 B2 Co F8 N7 O -","- C176 H296 B16 Co8 F64 N56 O8 -","8","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.0389","0.0288","","","0.0672","0.0716","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548881","9.8793","0.0006","14.9748","0.0008","17.3244","0.001","90","","90","","90","","2563","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B2 Co F8 N6 -","- C20 H28 B2 Co F8 N6 -","- C80 H112 B8 Co4 F32 N24 -","4","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.027","0.0235","","","0.0552","0.0569","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548882","30.4582","0.0016","20.3058","0.0011","17.0511","0.0009","90","","120.178","0.0007","90","","9116.5","0.8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 B2 Co F8 N8 -","- C24 H38 B2 Co F8.00007 N8 -","- C288 H456 B24 Co12 F96.0008 N96 -","12","1.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.1335","0.1226","","","0.3233","0.3322","","","","","","1.067","","","","has coordinates,has disorder","228637","2020-10-21","18:00:00",""
"1548883","10.8491","0.0007","11.7518","0.0008","14.5176","0.001","75.9118","0.0008","86.5298","0.0008","71.8096","0.0008","1705.3","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","1","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0243","0.0221","","","0.0542","0.0554","","","","","","1.034","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548884","32.941","0.002","8.2524","0.0006","21.7664","0.0015","90","","108.302","0.0008","90","","5617.7","0.7","88","2","88","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C184 H192 F24 Fe8 K8 N16 O76 S8 -","4","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.099","0.0931","","","0.2677","0.274","","","","","","1.055","","","","has coordinates,has disorder","228800","2020-10-21","18:00:00",""
"1548885","9.7023","0.0006","12.7853","0.0007","15.6368","0.0009","106.971","0.001","104.413","0.001","98.178","0.001","1747.82","0.18","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C52 H54 Ba2 Cl2 F12 Fe2 N6 O24 S4 -","2","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0232","0.0209","","","0.0571","0.0582","","","","","","1.077","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548886","11.253","0.0013","17.652","0.002","13.5982","0.0015","90","","90.075","0.002","90","","2701.1","0.5","128","2","128","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl F3 Fe K N2 O9 S -","- C23 H24 Cl F3 Fe K N2 O9 S -","- C92 H96 Cl4 F12 Fe4 K4 N8 O36 S4 -","4","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0464","0.0349","","","0.0849","0.0912","","","","","","1.032","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548887","9.5075","0.0004","27.3543","0.0012","28.8412","0.0012","90","","90","","90","","7500.8","0.6","88","2","88","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C208 H216 Ba8 F48 Fe8 N24 O100 S16 -","8","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0849","0.068","","","0.1813","0.195","","","","","","1.025","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548888","5.5834","0.0009","7.362","0.0011","12.537","0.002","91.1515","0.0018","93.4047","0.0017","100.667","0.0017","505.28","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O6 S2 -","- C22 H24 O6 S2 -","- C22 H24 O6 S2 -","1","0.5","","Kalelkar, Pranav P.; Collard, David M.","Thiol-substituted copolylactide: synthesis, characterization and post-polymerization modification using thiol–ene chemistry","Polymer Chemistry","2018","9","8","1022","","10.1039/C7PY01930K","","","0.71073","MoKα","","0.0374","0.0336","","","0.0839","0.0871","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548897","8.8511","0.0007","24.5258","0.0019","11.1501","0.0009","90","","97.066","0.001","90","","2402.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl Co F6 N4 O6 S2 -","- C16 H23 Cl Co F6 N4 O6 S2 -","- C64 H92 Cl4 Co4 F24 N16 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0538","0.0426","","","0.1065","0.1133","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548898","12.8115","0.0016","24.0973","0.0019","8.7902","0.001","90","","96.927","0.005","90","","2693.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H28 Co F6 N4 O8 S2 -","- C19 H28 Co F6 N4 O8 S2 -","- C76 H112 Co4 F24 N16 O32 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.028","0.0259","","","0.0595","0.0605","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548899","14.2091","0.0005","13.4658","0.0004","15.184","0.0005","90","","93.295","0.0008","90","","2900.46","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Co F6 N7 O6 S2 -","- C21 H29 Co F6 N7 O6 S2 -","- C84 H116 Co4 F24 N28 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0309","0.0269","","","0.069","0.0715","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548900","9.312","0.002","16.956","0.004","29.498","0.007","90","","90","","90","","4657.6","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 N4 O6 S2 -","- C16 H24 Co F6 N4 O6 S2 -","- C128 H192 Co8 F48 N32 O48 S16 -","8","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.7107","MoKα","","0.0251","0.0227","","","0.0556","0.0568","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548901","8.802","0.002","24.936","0.006","12.694","0.003","90","","94.038","0.005","90","","2779.2","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Co F6 N5 O6 S2 -","- C18 H29 Co F6 N5 O6 S2 -","- C72 H116 Co4 F24 N20 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.1031","0.0767","","","0.2182","0.2483","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548902","11.9921","0.0009","15.4423","0.0014","15.8756","0.0013","90","","108.403","0.002","90","","2789.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co F6 N4 O7 S2 -","- C19 H30 Co F6 N4 O7 S2 -","- C76 H120 Co4 F24 N16 O28 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0458","0.0353","","","0.0873","0.0933","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548904","14.245","0.002","17.905","0.002","11.3809","0.0009","90","","90","","90","","2902.8","0.6","173","0.1","173","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H32 B2 N Na O5 -","- C27 H24 B2 N Na O5 -","- C108 H96 B8 N4 Na4 O20 -","4","0.5","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.1286","0.0895","","","0.2458","0.2854","","","","","","1.051","","","","has coordinates,has disorder","228636","2020-10-21","18:00:00",""
"1548905","12.3892","0.001","40.276","0.005","12.9956","0.0007","90","","90.798","0.007","90","","6484","1","175","1","175","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 B K N2 O4 -","- C32 H37.75 B K N2 O4 -","- C256 H302 B8 K8 N16 O32 -","8","4","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.0999","0.0683","","","0.1631","0.1833","","","","","","1","","","","has coordinates","228636","2020-10-21","18:00:00",""
"1548906","14.314","0.003","12.233","0.003","27.034","0.006","90","","102.751","0.013","90","","4617","1.8","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57 N O2 P2 S2 Ti -","- C52 H57 N O2 P2 S2 Ti -","- C208 H228 N4 O8 P8 S8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0785","0.0426","","","0.0867","0.0983","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548907","11.835","0.002","19.146","0.003","22.47","0.004","90","","102.101","0.008","90","","4978.4","1.5","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 N7 P2 Ti -","- C56 H65 N7 P2 Ti -","- C224 H260 N28 P8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0635","0.0409","","","0.0911","0.1012","","","","","","1.033","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548910","11.0085","0.0006","13.2457","0.0007","15.8552","0.0009","90","","92.636","0.002","90","","2309.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl3 N4 O4 Ru -","- C20 H28 Cl3 N4 O4 Ru -","- C80 H112 Cl12 N16 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0398","0.0285","","","0.0618","0.0657","","","","","","1.033","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548911","8.6233","0.001","12.5838","0.0016","23.552","0.004","90","","90","","90","","2555.7","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl3 N5 O4 Ru -","- C22 H29 Cl3 N5 O4 Ru -","- C88 H116 Cl12 N20 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0188","0.0188","","","0.0483","0.0485","","","","","","1.068","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548912","10.505","0.002","10.579","0.002","11.649","0.002","90","","101.09","0.03","90","","1270.4","0.4","253","2","253","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C22 H32 Cl3 N4 O4 Ru -","- C22 H32 Cl3 N4 O4 Ru -","- C44 H64 Cl6 N8 O8 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0302","0.0291","","","0.0802","0.0808","","","","","","1.037","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548913","8.1503","0.0006","16.4241","0.0013","12.805","0.0011","90","","99.016","0.003","90","","1692.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 Cl2 N6 O8 Ru -","- C32 H38 Cl2 N6 O8 Ru -","- C64 H76 Cl4 N12 O16 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0688","0.0689","","","","","","1.055","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548914","9.912","0.0007","17.5103","0.0014","21.2883","0.0017","81.245","0.005","80.941","0.006","83.022","0.006","3588.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31.65 H36.48 Cl2 N6.83 O8 Ru -","- C31.664 H36.496 Cl2 N6.832 O8 Ru -","- C126.656 H145.984 Cl8 N27.328 O32 Ru4 -","4","2","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","x-ray","1.54178","CuKα","","0.0968","0.0682","","","0.1781","0.1966","","","","","","1.024","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548915","14.38","","15.3958","","21.7726","","74.25","","71.751","","82.351","","4399.85","","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H58 Mn3.5 N4 O24 S10 -","- C83 H58 Mn3.5 N3 O24 S10 -","- C166 H116 Mn7 N6 O48 S20 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.71075","MoKα","","0.109","0.0801","","","0.2057","0.2324","","","","","","1.062","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548916","14.639","","16.743","","20.551","","100.913","","106.78","","100.119","","4591.03","","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H17.5 Mn3.5 N10 O24 -","- C100 H35 Mn3.5 N10 O24 -","- C200 H70 Mn7 N20 O48 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.75","synchrotronradiation","","0.1107","0.0883","","","0.2574","0.2772","","","","","","1.064","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548917","10.383","0.0004","11.3585","0.0005","17.4827","0.0008","89.777","0.002","89.404","0.002","63.76","0.002","1849.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th(BIMA)4","","- C32 H68 N8 Th -","- C32 H68 N8 Th -","- C64 H136 N16 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.011","0.0107","","","0.0273","0.0274","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548918","16.9023","0.0009","11.4723","0.0006","21.7432","0.0012","90","","95.127","0.003","90","","4199.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Th(ptolylN3CH2SiMe3)(BIMA)3","","- C35 H69 N9 Si Th -","- C35 H69 N9 Si Th -","- C140 H276 N36 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0384","0.0317","","","0.07","0.0731","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548919","9.4981","0.0019","11.95","0.002","16.888","0.003","90.32","0.03","99.06","0.03","102.29","0.03","1848","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th[(iPr)N(O2C2)(CH2SiMe3)C(Me)N(iPr)](BIMA)2]","","- C30 H62 N6 O2 Si Th -","- C30 H62 N6 O2 Si Th -","- C60 H124 N12 O4 Si2 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0211","0.0198","","","0.0453","0.0458","","","","","","1.099","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548920","12.986","0.004","16.992","0.005","17.337","0.004","103.843","0.01","97.592","0.01","93.871","0.012","3662.3","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th(OC(CH2)SiMe3)(BIMA)3","","- C29 H62 N6 O Si Th -","- C29 H62 N6 O Si Th -","- C116 H248 N24 O4 Si4 Th4 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0347","0.0273","","","0.0556","0.0585","","","","","","1.109","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548921","11.5082","0.0005","12.3194","0.0005","12.8462","0.0005","61.8432","0.0007","79.157","0.0008","86.2752","0.0008","1576.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th[(iPr)NC(CH2)N(iPr)](BIMA)2","","- C13.75 H25 N3 Th0.5 -","- C13.75 H25 N3 Th0.5 -","- C55 H100 N12 Th2 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0215","0.0207","","","0.0488","0.0493","","","","","","1.117","","","","has coordinates,has disorder","228634","2020-10-21","18:00:00",""
"1548922","10.9839","0.0005","20.99","0.0008","18.246","0.0008","90","","93.46","0.0018","90","","4199","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(CNXylCH2SiMe3)(BIMA)3","","- C37 H71 N7 Si Th -","- C37 H71 N7 Si Th -","- C148 H284 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0258","0.022","","","0.047","0.0491","","","","","","1.072","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548923","12.6373","0.0009","17.8743","0.0014","17.1544","0.0013","90","","90.033","0.003","90","","3874.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(ptolylNSiMe3)(BIMA)3","","- C34 H67 N7 Si Th -","- C34 H67 N7 Si Th -","- C136 H268 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.021","0.0153","","","0.0309","0.0335","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548924","18.6971","0.0007","15.8036","0.0005","18.9111","0.0006","90","","103.688","0.002","90","","5429.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Th(THF)(BIMA)3][(BPh4)(THF)]","","- C56 H87 B N6 O2 Th -","- C56 H87 B N6 O2 Th -","- C224 H348 B4 N24 O8 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0267","0.0204","","","0.0407","0.0432","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548925","12.1573","0.0013","18.4711","0.0018","16.3766","0.0018","90","","90.215","0.005","90","","3677.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(BIMA)3Th(μ-H)2[B(C8H14)]","","- C32 H67 B N6 Th -","- C32 H67 B N6 Th -","- C128 H268 B4 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0257","0.0207","","","0.0452","0.0467","","","","","","1.103","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548926","19.0249","0.0009","10.3942","0.0005","19.133","0.0009","90","","110.105","0.0018","90","","3553","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Th(CCtolyl)(BIMA)3","","- C33 H58 N6 Th -","- C33 H58 N6 Th -","- C132 H232 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.017","0.0148","","","0.032","0.0329","","","","","","1.102","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548927","22.5782","0.001","13.2908","0.0006","25.4828","0.0011","90","","100.332","0.002","90","","7522.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(PHMes)(BIMA)3","","- C33 H63 N6 P Th -","- C33 H63 N6 P Th -","- C264 H504 N48 P8 Th8 -","8","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.036","0.0252","","","0.051","0.0549","","","","","","1.042","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548928","13.1834","0.0005","34.0491","0.0013","10.3637","0.0004","90","","90","","90","","4652.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P n m a","-P 2ac 2n","62","","","","- C40 H42 Br2 F22 N2 Ni -","- C40 H42 Br2 F22 N2 Ni -","- C160 H168 Br8 F88 N8 Ni4 -","4","0.5","","Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan","Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization","Polymer Chemistry","2018","9","10","1234","","10.1039/C8PY00201K","","","0.71073","MoKα","","0.038","0.0331","","","0.08","0.0824","","","","","","1.095","","","","has coordinates","230951","2020-10-21","18:00:00",""
"1548929","20.5269","0.0014","21.5497","0.0014","34.938","0.003","90","","90","","90","","15455","2","150","2","150","2","","","","","","","synthesized by the authors","7","I b a m","-I 2 2c","72","","","","- C49 H44 Br2 Cl2 F22 N2 Ni -","- C49 H44 Br2 Cl2 F22 N2 Ni -","- C392 H352 Br16 Cl16 F176 N16 Ni8 -","8","0.5","","Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan","Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization","Polymer Chemistry","2018","9","10","1234","","10.1039/C8PY00201K","","","0.71073","MoKα","","0.0853","0.0591","","","0.167","0.1935","","","","","","1.092","","","","has coordinates","230951","2020-10-21","18:00:00",""
"1548939","10.4794","0.0008","7.0464","0.0006","13.4791","0.001","90","","100.094","0.005","90","","979.92","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C44 H46 N2 O4 Si2 -","2","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0774","0.0596","","","0.1657","0.2024","","","","","","1.269","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548940","9.4164","0.0003","11.6775","0.0004","17.207","0.0006","90","","90","","90","","1892.08","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0266","0.0266","","","0.0703","0.0703","","","","","","1.103","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548941","12.9788","0.0003","15.9249","0.0002","18.4205","0.0004","77.6077","0.0015","73.186","0.0018","88.345","0.0014","3557.34","0.13","90","2","90","2","","","","","","","","11","P -1","-P 1","2","XBphos-Rh","LCAR666","","- C69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 Rh -","- C69.1736 H38.3472 B Cl2.3472 F28 I N O P2 Rh -","- C138.347 H76.6944 B2 Cl4.6944 F56 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.0998","0.0862","","","0.2044","0.2106","","","","","","1.179","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548942","12.9235","0.0009","15.961","0.0013","18.3296","0.0019","79.049","0.008","71.52","0.008","88.475","0.006","3518.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","LCAR780","","- C70.5 H46 B F24 I N O P2 Rh -","- C70.5 H46 B F24 I N O P2 Rh -","- C141 H92 B2 F48 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.1538","0.1068","","","0.3123","0.3366","","","","","","1.035","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548943","17.417","0.001","7.3299","0.0004","13.5997","0.0007","90","","95.37","0.002","90","","1728.58","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0866","0.0752","","","0.1895","0.1966","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548944","13.9904","0.0006","8.4064","0.0003","21.36","0.0009","90","","104.491","0.001","90","","2432.21","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.061","0.0398","","","0.096","0.1141","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548945","12.3308","0.0012","16.1714","0.0013","8.8646","0.0008","90","","94.241","0.004","90","","1762.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1059","0.0579","","","0.13","0.163","","","","","","1.035","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548946","9.0836","0.0003","21.4854","0.0009","9.9912","0.0004","90","","92.112","0.001","90","","1948.61","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C84 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0708","0.0494","","","0.1195","0.1372","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548947","9.8261","0.0004","13.6201","0.0005","16.2063","0.0005","90","","96.868","0.001","90","","2153.37","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C96 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0461","0.0377","","","0.0905","0.0989","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548948","10.99","0.0011","9.6096","0.0009","29.66","0.003","90","","94.047","0.007","90","","3124.6","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C128 H144 N16 O24 S8 -","8","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1146","0.0592","","","0.1393","0.1623","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548949","6.0422","0.0012","11.778","0.003","15.448","0.003","90","","90","","90","","1099.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F4 O -","- C12 H12 F4 O -","- C48 H48 F16 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0303","0.0295","","","0.0833","0.0841","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548950","5.25889","0.00006","9.75241","0.00011","20.4698","0.0002","90","","90","","90","","1049.83","0.02","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C48 H56 F8 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0264","0.026","","","0.0705","0.0709","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548951","13.5173","0.0003","5.57303","0.00015","27.4909","0.0009","90","","90.469","0.002","90","","2070.88","0.1","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.1345","0.1282","","","0.4485","0.4562","","","","","","2.205","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548952","10.536","0.003","19.983","0.006","10.272","0.003","90","","107.972","0.007","90","","2057.2","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0389","0.0359","","","0.1055","0.1078","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548953","5.33024","0.00013","9.6528","0.0003","20.0332","0.0007","90","","90","","90","","1030.74","0.05","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F O -","- C12 H14.8 F O -","- C48 H59.2 F4 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0509","0.0496","","","0.1485","0.1496","","","","","","1.004","","","","has coordinates,has disorder","228853","2020-10-21","18:00:00",""
"1548954","21.247","0.0009","21.247","","11.2694","0.0005","90","","90","","120","","4405.8","0.3","291","2","291","2","","","","","","","","4","P 61","P 61","169","","3,3-dimethyl-2-(4-(methylsulfonyl)phenyl)non-4-yn-2-yl [1,1'-biphenyl]-4-carboxylate","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C186 H204 O24 S6 -","6","1","","Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J","Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration.","Chemical science","2018","9","13","3305","3312","10.1039/c7sc05123a","","","0.71073","MoKα","","0.0968","0.0638","","","0.1733","0.1943","","","","","","1.092","","","","has coordinates","228777","2020-10-21","18:00:00",""
"1548967","18.7426","0.0009","13.6265","0.0006","22.2266","0.001","90","","92.9084","0.0015","90","","5669.3","0.4","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H76 Cl3 P2 Pt -","- C57 H77 Cl3 P2 Pt -","- C228 H308 Cl12 P8 Pt4 -","4","1","","Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers","Polymer Chemistry","2018","9","14","1772","","10.1039/C7PY01886J","","","0.71075","MoKα","","0.1187","0.0784","","","0.2298","0.2588","","","","","","1.07","","","","has coordinates","230966","2020-10-21","18:00:00",""
"1548968","9.5747","0.0003","10.0025","0.0003","14.5919","0.0004","75.3868","0.0007","73.7957","0.0008","81.3096","0.0009","1293.65","0.07","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H54 N2 O2 P2 Pt -","- C62 H54 N2 O2 P2 Pt -","- C62 H54 N2 O2 P2 Pt -","1","0.5","","Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers","Polymer Chemistry","2018","9","14","1772","","10.1039/C7PY01886J","","","0.71075","MoKα","","0.0258","0.0257","","","0.0619","0.062","","","","","","1.038","","","","has coordinates","230966","2020-10-21","18:00:00",""
"1548969","7.6914","0.0003","8.8535","0.0004","18.0798","0.0009","91.235","0.004","97.803","0.003","92.431","0.003","1218.2","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Xiong, Yaoyao; Vargas Jentzsch, Andreas; Osterrieth, Johannes W. M.; Sezgin, Erdinc; Sazanovich, Igor V.; Reglinski, Katharina; Galiani, Silvia; Parker, Anthony W.; Eggeling, Christian; Anderson, Harry L.","Spironaphthoxazine switchable dyes for biological imaging.","Chemical science","2018","9","11","3029","3040","10.1039/c8sc00130h","","","1.5418","CuKα","","0.0535","0.0407","","0.1168","0.1051","0.1166","","","","","","0.9898","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548970","21.138","0.002","21.616","0.002","21.948","0.002","118.123","0.005","106.659","0.006","99.169","0.006","7942","1.5","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.2733","0.1399","","","0.3574","0.4307","","","","","","1.343","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548971","19.692","0.0015","22.3708","0.0016","25.201","0.002","97.908","0.004","108.437","0.003","113.456","0.003","9208.2","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C365.84 H508.52 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.1265","0.09","","","0.2693","0.3069","","","","","","1.021","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548975","27.458","0.004","27.458","0.004","18.225","0.004","90","","90","","90","","13741","4","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying","A trichromatic MOF composite for multidimensional ratiometric luminescent sensing.","Chemical science","2018","9","11","2918","2926","10.1039/c8sc00021b","","","0.71073","synchrotron","","0.033","0.0323","","","0.0926","0.0931","","","","","","1.106","","","","has coordinates","228851","2020-10-21","18:00:00",""
"1548976","10.7604","0.0006","51.619","0.002","18.6745","0.0009","90","","98.394","0.003","90","","10261.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Zn-ortho-1-amide","","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C468 H348 F48 N52 O20 Zn8 -","8","2","","Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J.","Positional effects of second-sphere amide pendants on electrochemical CO<sub>2</sub> reduction catalyzed by iron porphyrins.","Chemical science","2018","9","11","2952","2960","10.1039/c7sc04682k","","","0.71073","MoKα","","0.1143","0.0856","","","0.1706","0.1825","","","","","","1.109","","","","has coordinates,has disorder","228855","2020-10-21","18:00:00",""
"1548977","15.1723","0.0003","15.1723","0.0003","12.0747","0.0004","90","","90","","90","","2779.58","0.12","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.4CD4","","","- C9.4 H4 D5.61 O5 V -","- C9.403 H4 D5.608 O5 V -","- C75.224 H32 D44.864 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548978","15.1668","0.0004","15.1668","0.0004","12.0716","0.0004","90","","90","","90","","2776.85","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.5C2D6","","","- C10.63 H4 D8.95 O5 V -","- C10.984 H4 D8.952 O5 V -","- C87.872 H32 D71.616 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548979","15.16316","0.00015","15.16316","0.00015","12.0746","0.0002","90","","90","","90","","2776.21","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0CD4","","","- C9.01 H4 D4.06 O5 V -","- C9.0132 H4 D4.0568 O5 V -","- C72.1056 H32 D32.4544 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548980","15.1613","0.0003","15.1613","0.0003","12.0687","0.0003","90","","90","","90","","2774.17","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300(V3)-1.0C2D2","","","- C10 H4 D2 O5 V -","- C10.008 H4 D2.008 O5 V -","- C80.064 H32 D16.064 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548981","15.1594","0.0003","15.1594","0.0003","12.071","0.0003","90","","90","","90","","2774.01","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D4","","","- C10.14 H4 D4.28 O5 V -","- C10.14 H4 D4.28 O5 V -","- C81.12 H32 D34.24 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548982","15.1661","0.0003","15.1661","0.0003","12.0725","0.0003","90","","90","","90","","2776.8","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D6","","","- C10.07 H4 D6.2 O5 V -","- C10.068 H4 D6.204 O5 V -","- C80.544 H32 D49.632 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548983","15.1457","0.0004","15.1457","0.0004","12.0519","0.0004","90","","90","","90","","2764.61","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.8C2D2","","","- C11.56 H4 D3.56 O5 V -","- C11.564 H4 D3.564 O5 V -","- C92.512 H32 D28.512 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548984","10.9621","0.0004","12.9672","0.0005","13.9252","0.0005","111.325","0.002","99.442","0.002","105.532","0.002","1699.54","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 B5 F30 K5 -","- C15 H10 B5 F30 K5 -","- C30 H20 B10 F60 K10 -","2","1","","Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.; Molander, Gary A.","Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies.","Chemical science","2018","9","12","3215","3220","10.1039/c7sc05420c","","","0.71073","MoKα","","0.032","0.0283","","","0.068","0.0704","","","","","","1.081","","","","has coordinates,has disorder","228863","2020-10-21","18:00:00",""
"1548989","6.861","0.003","10.695","0.004","23.818","0.01","90","","96.101","0.014","90","","1737.8","1.2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,8-dimethyl-4,8-diaza-12-oxatriangulenium hexafluorophosphate","","- C21 H15 F6 N2 O P -","- C21 H15 F6 N2 O P -","- C84 H60 F24 N8 O4 P4 -","4","0.5","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.1018","0.0695","","","0.2257","0.235","","","","","","1.228","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548990","8.4805","0.0005","8.5013","0.0004","14.7698","0.0008","74.017","0.002","89.013","0.002","64.503","0.002","917.65","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","12,12-dimethylbenzo[8,1]isochromeno[3,4,5,6-klmn]xanthenium hexafluorophosphate","","- C22 H15 F6 O2 P -","- C22 H15 F6 O2 P -","- C44 H30 F12 O4 P2 -","2","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0823","0.0436","","","0.0934","0.1063","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548991","14.162","0.003","15.264","0.004","20.039","0.005","87.939","0.005","85.555","0.008","62.365","0.008","3826.1","1.6","122.4","","122.4","","","","","","","","","6","P -1","-P 1","2","","'8,12,12-trimethyl-8,12-dihydro-3a2H-benzo[8,1]isochromeno[3,4,5,6-klmn] acridinium hexafluorophosphate'","","- C23 H18 F6 N O P -","- C23 H18 F6 N O P -","- C184 H144 F48 N8 O8 P8 -","8","4","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.2891","0.2362","","","0.5448","0.5657","","","","","","2.056","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548992","14.5591","0.0008","21.6499","0.0015","13.0273","0.0009","90","","90","","90","","4106.2","0.5","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4,8,12,12-tetramethyl-8,12-dihydrobenzo[8,1]isoquinolino[3,4,5,6-klmn]acridinium hexafluorophosphate","","- C24 H21 F6 N2 P -","- C24 H21 F6 N2 P -","- C192 H168 F48 N16 P8 -","8","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0872","0.0435","","","0.0858","0.1015","","","","","","1.041","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548993","10.0222","0.0008","12.1506","0.0011","16.0254","0.0014","69.063","0.004","75.075","0.004","81.389","0.004","1757.6","0.3","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","","","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C70 H70 Cl4 F6 N16 Ni2 O6 S2 -","2","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0375","0.0288","","","0.0711","0.0755","","","","","","1.032","","","","has coordinates,has disorder","228776","2020-10-21","18:00:00",""
"1548994","17.6983","0.0015","6.2954","0.0006","17.442","0.0015","90","","102.677","0.003","90","","1896","0.3","135","","135","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N -","- C22 H35 N -","- C88 H140 N4 -","4","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0445","0.0392","","","0.0964","0.1002","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548995","10.1802","0.0007","20.4136","0.0017","26.689","0.002","90","","90","","90","","5546.4","0.7","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N8 Ni -","- C33 H33 N8 Ni -","- C264 H264 N64 Ni8 -","8","2","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.041","0.0308","","","0.0692","0.0711","","","","","","0.946","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1548996","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548997","16.8152","0.0003","15.0512","0.0003","17.5637","0.0004","90","","90","","90","","4445.18","0.16","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C200 H176 F24 N8 O24 S8 -","8","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0447","","","","0.1214","","","","","","1.135","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548998","16.8716","0.0004","7.8975","0.0002","16.7075","0.0005","90","","90.3044","0.001","90","","2226.13","0.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N O4 S -","- C25 H22 F3 N O4 S -","- C100 H88 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0343","","","","0.0928","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1548999","14.6966","0.0003","9.1174","0.00017","17.3812","0.0004","90","","116.062","0.0007","90","","2092.17","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 N O4 S -","- C23 H20 F3 N O4 S -","- C92 H80 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.035","","","","0.1015","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549000","7.5406","0.0002","7.8875","0.0003","8.9868","0.0003","90","","95.198","0.003","90","","532.31","0.03","150","2","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 O4 S2 -","- C9 H12 O4 S2 -","- C18 H24 O8 S4 -","2","1","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","1.54184","CuKα","","0.0237","0.0236","","","0.0624","0.0624","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549001","7.5535","0.0001","12.2965","0.0001","19.9749","0.0002","90","","90","","90","","1855.3","0.03","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 S2 -","- C7 H10 O3 S2 -","- C56 H80 O24 S16 -","8","2","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","1.54184","CuKα","","0.0254","0.0244","","","0.063","0.0637","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549002","6.0784","0.0003","9.833","0.0004","17.9994","0.0009","90","","90","","90","","1075.8","0.09","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O5 S -","- C9 H12 O5 S -","- C36 H48 O20 S4 -","4","1","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","0.71073","MoKα","","0.0514","0.0422","","","0.0792","0.0833","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549003","9.746","0.002","25.413","0.003","11.319","0.002","90","","105.55","0.02","90","","2700.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Li2 N6 -","- C28 H44 Li2 N6 -","- C112 H176 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0502","0.0427","","","0.1126","0.1184","","","","","","1.062","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549004","12.7937","0.0003","9.7101","0.0003","18.6728","0.0005","90","","94.3121","0.001","90","","2313.12","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Li2 N6 -","- C20 H36 Li2 N6 -","- C80 H144 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.025","0.025","","","","0.026","0.022","","","","","1.577","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549005","13.864","0.003","30.46","0.003","9.851","0.002","90","","105.18","0.02","90","","4014.9","1.3","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Li2 N6 -","- C40 H68 Li2 N6 -","- C160 H272 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0652","0.0452","","","0.1054","0.117","","","","","","1.049","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549011","15.9555","0.0008","11.5878","0.0004","17.1391","0.0008","90","","116.061","0.006","90","","2846.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl F6 N2 P Rh -","- C27 H29 Cl F6 N2 P Rh -","- C108 H116 Cl4 F24 N8 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0489","0.0378","","","0.0925","0.0999","","","","","","1.027","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549012","12.9507","0.0009","8.31","0.0007","10.5094","0.0008","90","","90","","90","","1131.02","0.15","296","2","296","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C20 H23 Cl F6 N2 P Rh -","- C20 H23 Cl F6 N2 P Rh -","- C40 H46 Cl2 F12 N4 P2 Rh2 -","2","0.5","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0328","0.0303","","","0.0719","0.0758","","","","","","1.047","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549013","8.51582","0.00016","13.5384","0.0004","14.2569","0.0003","94.5969","0.0019","92.9146","0.0016","92.6758","0.0018","1634.15","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H37 Cl F6 N2 O2 P Rh -","- C31 H37 Cl F6 N2 O2 P Rh -","- C62 H74 Cl2 F12 N4 O4 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.051","0.0382","","","0.0766","0.0832","","","","","","1.033","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549014","8.7508","0.0004","14.4955","0.0006","14.5101","0.0006","84.91","0.003","74.415","0.004","82.382","0.003","1754.53","0.14","568","2","568","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H35 Cl F6 N2 O P Rh -","- C36 H35 Cl F6 N2 O P Rh -","- C72 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0504","0.0415","","","0.1089","0.1162","","","","","","1.038","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549015","9.84864","0.00019","10.1712","0.0003","16.1627","0.0003","101.363","0.002","90.9323","0.0017","109.801","0.002","1487.41","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F12 N3 O0.5 P2 Rh -","- C25 H28 F12 N3 O0.5 P2 Rh -","- C50 H56 F24 N6 O P4 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0532","0.0482","","","0.1226","0.1266","","","","","","1.04","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549016","8.0233","0.0004","28.1842","0.0013","16.1096","0.0008","90","","94.393","0.004","90","","3632.2","0.3","150","0.1","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl F6 N2 O P Rh -","- C36 H39 Cl F6 N2 O P Rh -","- C144 H156 Cl4 F24 N8 O4 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.1198","0.0706","","","0.1633","0.1915","","","","","","1.025","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549017","8.40215","0.00019","12.9603","0.0003","15.392","0.0004","80","0.002","86.442","0.002","86.175","0.002","1644.79","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H35 Cl F6 N2 O P Rh -","- C34 H35 Cl F6 N2 O P Rh -","- C68 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0883","0.0897","","","","","","1.051","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549018","8.20707","0.00008","10.08952","0.00012","17.2032","0.0003","82.3397","0.0011","81.4575","0.0011","84.0175","0.0009","1390.95","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H29 Cl F6 N2 O P Rh -","- C28 H29 Cl F6 N2 O P Rh -","- C56 H58 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.0353","0.0281","","","0.0642","0.0681","","","","","","1.057","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549020","12.6727","0.0018","15.398","0.003","11.9061","0.0015","90","","110.633","0.006","90","","2174.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O3 S -","- C27 H20 N2 O3 S -","- C108 H80 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0929","0.0508","","","0.1309","0.1574","","","","","","0.917","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549021","7.089","0.008","7.256","0.008","13.569","0.015","85.46","0.03","77.9","0.03","70.37","0.03","642.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C30 H22 N2 O6 S2 -","2","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.119","0.0577","","","0.1364","0.1751","","","","","","0.812","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549022","25.719","0.007","7.5368","0.0018","11.759","0.003","90","","116.39","0.01","90","","2041.8","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H18 N2 O3 S -","- C27 H18 N2 O3 S -","- C108 H72 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.1027","0.0521","","","0.1205","0.1454","","","","","","0.887","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549023","8.172","0.003","9.666","0.003","20.305","0.007","90","","99.512","0.011","90","","1581.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0762","0.0469","","","0.1295","0.1534","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549029","19.9066","0.0006","19.9066","0.0006","16.1991","0.0009","90","","90","","90","","6419.3","0.4","150.02","0.1","150.02","0.1","","","","","","","","7","I 4","I 4","79","","","","- C86 H162 Co Cr7 F8 N O33 -","- C86 H156 Co Cr7 F8 N O33 -","- C172 H312 Co2 Cr14 F16 N2 O66 -","2","0.25","","Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano","Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions.","Chemical science","2018","9","14","3555","3562","10.1039/c8sc00163d","","x-ray","0.71073","MoKα","","0.0839","0.0675","","","0.1852","0.2016","","","","","","1.051","","","","has coordinates,has disorder","228781","2020-10-21","18:00:00",""
"1549035","12.37","0.003","8.1257","0.0014","9.943","0.0018","90","","97.638","0.006","90","","990.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N3 O10 P -","- C3 H6 N3 O10 P -","- C12 H24 N12 O40 P4 -","4","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0944","0.0802","","","0.1749","0.1819","","","","","","0.871","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549036","7.6451","0.0014","7.8238","0.0017","8.9723","0.0015","100.557","0.019","96.753","0.019","114.76","0.014","467.59","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N3 O9 -","- C4 H7 N3 O9 -","- C8 H14 N6 O18 -","2","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0935","0.0738","","","0.1798","0.2054","","","","","","0.979","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549042","19.5805","0.0002","9.7595","0.0001","8.9644","0.0001","90","","103.158","0.0012","90","","1668.08","0.03","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F4 N2 O -","- C17 H19 B F4 N2 O -","- C68 H76 B4 F16 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0399","0.0361","","0.0971","0.0942","0.0971","","","","","","0.9896","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549043","9.49835","0.00014","11.89113","0.00017","22.8675","0.0003","90","","90","","90","","2582.8","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0281","0.0272","","0.0713","0.0703","0.0713","","","","","","0.992","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549044","5.40542","0.00018","6.94898","0.00018","16.0701","0.0004","90","","95.864","0.003","90","","600.47","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C20 H32 I2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0278","0.0254","","","0.0629","0.0642","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549045","15.1489","0.0004","13.2904","0.0004","24.594","0.0008","90","","97.293","0.003","90","","4911.6","0.3","159.95","0.1","159.95","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H66 Cl2 N10 O16 -","- C40 H66 Cl2 N10 O16 -","- C160 H264 Cl8 N40 O64 -","4","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1208","0.125","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549046","18.7661","0.0005","8.8339","0.0002","9.6084","0.0003","90","","100.318","0.003","90","","1567.1","0.07","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N2 O -","- C17 H19 Cl N2 O -","- C68 H76 Cl4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0406","0.0381","","0.0965","0.0949","0.0965","","","","","","0.9683","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549047","7.10113","0.0001","13.625","0.0002","20.6821","0.0003","90","","91.5054","0.0012","90","","2000.36","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N5 O3 -","- C19 H24 Cl N5 O3 -","- C76 H96 Cl4 N20 O12 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0456","0.0408","","","0.1095","0.1143","","","","","","1.032","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549048","13.5545","0.0002","5.84781","0.00007","14.1657","0.0002","90","","110.071","0.002","90","","1054.64","0.03","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H32 N2 O6 -","- C22 H32 N2 O6 -","- C44 H64 N4 O12 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0418","0.0337","","","0.0811","0.0864","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549049","24.3732","0.0002","10.4084","0.0001","9.9932","0.0001","90","","93.1701","0.0009","90","","2531.26","0.04","160","","160","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F18 K N3 P2 S -","- C14 H18 F18 K N3 P2 S -","- C56 H72 F72 K4 N12 P8 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0496","0.0441","","0.1087","0.1053","0.1087","","","","","","1.0134","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549050","8.6454","0.0001","9.463","0.0001","20.0392","0.0002","90","","96.753","0.0009","90","","1628.06","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O8 S -","- C34 H42 N4 O8 S -","- C68 H84 N8 O16 S2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0441","0.0417","","0.1063","0.1038","0.1063","","","","","","0.954","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549051","20.7561","0.0002","9.5134","0.0001","8.5352","0.0001","90","","96.5078","0.0009","90","","1674.51","0.03","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N2 O5 P -","- C17 H21 N2 O5 P -","- C68 H84 N8 O20 P4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0312","0.0294","","0.0761","0.075","0.0761","","","","","","0.9648","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549052","10.9874","0.0001","14.2737","0.0001","23.2106","0.0001","90","","90.2783","0.0005","90","","3640.1","0.04","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br F6 N3 S -","- C14 H18 Br F6 N3 S -","- C112 H144 Br8 F48 N24 S8 -","8","2","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0233","0.0224","","0.0565","0.056","0.0565","","","","","","1.001","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549053","8.81","0.0001","9.7133","0.0002","21.7147","0.0004","90","","100.169","0.0016","90","","1829.03","0.06","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48.7 N4 O11.35 -","- C38 H48 N4 O11.348 -","- C76 H96 N8 O22.696 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0451","0.0411","","","0.1118","0.1144","","","","","","1.049","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549054","19.8981","0.0007","8.0213","0.0002","10.8806","0.0003","90","","100.435","0.003","90","","1707.92","0.09","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0401","0.0338","","0.0873","0.0819","0.0873","","","","","","0.977","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549055","19.6674","0.0003","8.1224","0.0001","10.8447","0.0002","90","","105.289","0.0016","90","","1671.09","0.05","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C68 H76 I4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0246","0.0226","","0.0622","0.0605","0.0622","","","","","","0.9797","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549056","7.32726","0.00012","18.9411","0.0003","25.6662","0.0005","90","","90","","90","","3562.12","0.11","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C120 H192 I12 N12 O12 -","12","3","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0258","0.0225","","","0.0472","0.048","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549057","7.2565","0.0003","6.1232","0.0003","12.557","0.0006","90","","102.256","0.005","90","","545.23","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O -","- C10 H16 Cl N O -","- C20 H32 Cl2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","0.71073","MoKα","","0.0338","0.0302","","","0.0722","0.0737","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549058","6.09862","0.00006","7.52704","0.00009","27.3811","0.0003","90","","90","","90","","1256.92","0.02","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O S -","- C11 H16 N2 O S -","- C44 H64 N8 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0267","0.0258","","","0.0672","0.0676","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549059","22.3684","0.0007","8.4156","0.0001","15.6852","0.0004","90","","130.585","0.005","90","","2242.36","0.19","160","","160","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H46 N4 O16 Sb2 -","- C42 H46 N4 O16 Sb2 -","- C84 H92 N8 O32 Sb4 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0458","0.0453","","0.1194","0.1189","0.1194","","","","","","0.9417","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549060","10.1433","0.0004","18.6189","0.0006","14.0467","0.0005","90","","99.569","0.003","90","","2615.91","0.16","160","","160","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0721","0.0578","","0.148","0.1365","0.1478","","","","","","1.0133","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549061","7.4467","0.0002","6.20961","0.00016","12.5863","0.0004","90","","101.176","0.003","90","","570.97","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Br N O -","- C10 H16 Br N O -","- C20 H32 Br2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.038","0.0303","","","0.0716","0.0749","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549062","9.0081","0.0001","9.3218","0.0001","19.4957","0.0002","90","","95.351","0.0009","90","","1629.95","0.03","160","","160","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O8 -","- C36 H38 N4 O8 -","- C72 H76 N8 O16 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0356","0.0344","","0.0984","0.0973","0.0984","","","","","","0.9838","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549063","12.9279","0.0002","12.5457","0.00015","13.139","0.00015","90","","109.843","0.0012","90","","2004.48","0.05","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl I N5 O -","- C19 H23 Cl I N5 O -","- C76 H92 Cl4 I4 N20 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0527","0.0336","","","0.0626","0.0684","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549068","15.3025","0.0006","16.0955","0.0006","22.2445","0.0009","94.998","0.002","108.991","0.002","92.221","0.002","5147.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C140.5 H113.5 Cl5.5 O1.5 -","- C119 H94 Cl2 O -","- C238 H188 Cl4 O2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.1171","0.0996","","","0.2829","0.3003","","","","","","1.054","","","","has coordinates","228750","2020-10-21","18:00:00",""
"1549069","14.3675","0.0008","17.3718","0.0011","18.9206","0.0012","67.525","0.003","86.143","0.003","89.598","0.003","4352.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H103 F3 O4 S -","- C116 H103 F3 O4 S -","- C232 H206 F6 O8 S2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.0872","0.072","","","0.1869","0.2004","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549072","24.7978","0.0006","14.1129","0.0003","20.1547","0.0004","90","","96.645","0.001","90","","7006.1","0.3","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C75 H61 B Cl5 F4 O3 Os P3 S2 -","- C75 H61 B Cl5 F4 O3 Os P3 S2 -","- C300 H244 B4 Cl20 F16 O12 Os4 P12 S8 -","4","1","","Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping","Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer","Polymer Chemistry","2018","9","16","2092","","10.1039/C8PY00176F","","","0.71073","MoKα","","0.0799","0.0499","","","0.117","0.1445","","","","","","1.107","","","","has coordinates,has disorder","230962","2020-10-21","18:00:00",""
"1549073","11.1803","0.0003","14.1709","0.0004","23.4379","0.0006","76.653","0.001","84.029","0.001","69.337","0.001","3379.62","0.16","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C77 H59 B Cl F4 O3 Os P3 S3 -","- C77 H59 B Cl F4 O3 Os P3 S3 -","- C154 H118 B2 Cl2 F8 O6 Os2 P6 S6 -","2","1","","Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping","Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer","Polymer Chemistry","2018","9","16","2092","","10.1039/C8PY00176F","","","0.71073","MoKα","","0.078","0.0626","","","0.1597","0.1752","","","","","","1.031","","","","has coordinates,has disorder","230962","2020-10-21","18:00:00",""
"1549077","13.484","0.0008","13.484","0.0008","13.484","0.0008","90","","90","","90","","2451.6","0.3","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C21 H18 Cl N3 -","- C21 H18 Cl N3 -","- C84 H72 Cl4 N12 -","4","0.333333","","Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai","Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization","Polymer Chemistry","2018","9","16","2183","","10.1039/C8PY00338F","","","0.71073","MoKα","","0.114","0.1082","","","0.3079","0.3135","","","","","","1.14","","","","has coordinates,has disorder","230963","2020-10-21","18:00:00",""
"1549078","29.8205","0.0005","8.8627","0.0002","25.1375","0.0004","90","","110.05","0.001","90","","6241","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C288 H208 N16 O16 -","8","2","","Zhang, Chang-Wei; Ou, Bo; Jiang, Shu-Ting; Yin, Guang-Qiang; Chen, Li-Jun; Xu, Lin; Li, Xiaopeng; Yang, Hai-Bo","Cross-linked AIE supramolecular polymer gels with multiple stimuli-responsive behaviours constructed by hierarchical self-assembly","Polymer Chemistry","2018","9","15","2021","","10.1039/C8PY00226F","","","1.54178","CuKα","","0.0756","0.0509","","","0.1235","0.1329","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549080","15.4892","0.0008","7.8471","0.0004","15.5804","0.0009","90","","114.831","0.007","90","","1718.65","0.19","153","7","153","7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CX11","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","1","","Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.","Mechano-induced persistent room-temperature phosphorescence from purely organic molecules.","Chemical science","2018","9","15","3782","3787","10.1039/c8sc00429c","","","1.54184","CuKα","","0.0454","0.0361","","","0.0896","0.0959","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549081","21.5605","0.0015","26.1802","0.0019","19.2608","0.0013","90","","90","","90","","10871.9","1.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H83 B2 Li O4 -","- C57 H83 B2 Li O4 -","- C456 H664 B16 Li8 O32 -","8","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2038","0.086","","","0.1598","0.2033","","","","","","0.946","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549082","10.7242","0.0012","21.4641","0.0016","24.027","0.003","90","","97.208","0.009","90","","5487","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H85 B2 Li O4 -","- C56 H85 B2 Li O4 -","- C224 H340 B8 Li4 O16 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2251","0.1344","","","0.2573","0.2877","","","","","","1.443","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549083","5.974","0.0009","14.639","0.002","21.461","0.003","82.273","0.012","89.91","0.012","86.79","0.012","1856.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 B2 -","- C44 H56 B2 -","- C88 H112 B4 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.7107","MoKα","","0.185","0.088","","","0.1686","0.1839","","","","","","1.207","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549084","12.9451","0.0008","18.3459","0.0007","27.0962","0.0017","90","","101.393","0.005","90","","6308.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H98 B2 Li2 O7 -","- C66 H98 B2 Li2 O7 -","- C264 H392 B8 Li8 O28 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1447","0.0785","","","0.1585","0.1797","","","","","","1.134","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549085","14.775","0.001","19.9973","0.001","17.9098","0.0012","90","","109.105","0.005","90","","5000.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H75 B2 Li O3 -","- C53 H75 B2 Li O3 -","- C212 H300 B8 Li4 O12 -","4","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1458","0.0712","","","0.1404","0.167","","","","","","0.91","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549086","12.2698","0.001","43.946","0.003","21.961","0.002","90","","90","","90","","11841.6","1.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C61 H90 B2 Cl Li O8 -","- C61 H90 B2 Cl Li O8 -","- C488 H720 B16 Cl8 Li8 O64 -","8","0.5","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1296","0.0854","","","0.1603","0.178","","","","","","1.121","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549087","19.497","0.0015","24.7864","0.0018","23.972","0.002","90","","92.463","0.007","90","","11574","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 B2 Li O4 -","- C63 H87 B2 Li O4 -","- C504 H696 B16 Li8 O32 -","8","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2818","0.121","","","0.207","0.2432","","","","","","1.302","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549088","41.344","0.003","14.272","0.0012","6.1349","0.0005","90","","90","","90","","3620","0.5","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C43 H54 B2 -","- C43 H54 B2 -","- C172 H216 B8 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1448","0.0673","","","0.1049","0.1282","","","","","","0.84","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549089","10.4041","0.0003","11.5484","0.0003","25.736","0.0007","79.323","0.002","85.313","0.002","81.22","0.002","2998.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H84 B2 O -","- C70 H84 B2 O -","- C140 H168 B4 O2 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.0782","0.0673","","","0.1755","0.1838","","","","","","1.037","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549094","7.7604","0.0008","5.9132","0.0006","49.45","0.004","90","","95.879","0.009","90","","2257.3","0.4","95","","95","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0641","0.052","","0.0707","0.0619","0.0652","","","","","","1.116","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549095","7.856","0.0007","5.8413","0.0006","49.561","0.004","90","","95.46","0.008","90","","2264","0.4","135","","135","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0391","0.0339","","0.084","0.0776","0.0813","","","","","","0.9222","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549096","8.0891","0.0006","5.7282","0.0004","49.849","0.004","90","","94.255","0.006","90","","2303.4","0.3","215","","215","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0373","0.0325","","0.0773","0.0711","0.0736","","","","","","0.8551","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549097","7.9306","0.0005","5.8288","0.0004","49.645","0.003","90","","95.171","0.005","90","","2285.5","0.3","155","","155","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0442","0.0354","","0.0625","0.0519","0.0545","","","","","","0.9734","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549098","7.9631","0.0006","5.8073","0.0004","49.723","0.003","90","","94.85","0.006","90","","2291.2","0.3","175","","175","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0353","","0.0868","0.0809","0.0848","","","","","","0.8841","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549099","8.3546","0.0005","5.6236","0.0003","50.168","0.003","90","","93.146","0.005","90","","2353.5","0.2","275","","275","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0471","0.0368","","0.0603","0.0541","0.0575","","","","","","0.9597","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549100","8.0248","0.0006","5.7688","0.0005","49.827","0.004","90","","94.591","0.007","90","","2299.3","0.3","195","","195","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0366","0.0326","","0.0667","0.0603","0.0624","","","","","","0.9514","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549101","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0407","0.0361","","0.0972","0.0876","0.0915","","","","","","0.7832","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549102","7.8186","0.0005","5.8811","0.0003","49.458","0.003","90","","95.762","0.006","90","","2262.7","0.2","115","","115","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0326","0.0296","","0.0651","0.0624","0.0639","","","","","","0.9209","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549103","8.1615","0.0007","5.6918","0.0005","49.87","0.004","90","","93.819","0.007","90","","2311.5","0.3","235","","235","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0394","0.0339","","0.083","0.0778","0.0804","","","","","","0.8332","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549104","8.2606","0.0006","5.6541","0.0003","49.944","0.003","90","","93.621","0.006","90","","2328","0.3","255","","255","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0359","","0.0696","0.063","0.066","","","","","","0.988","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549107","11.059","0.0005","12.1681","0.0006","15.1847","0.0008","75.96","0.003","89.526","0.002","89.997","0.002","1982.25","0.17","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Br2 F4 Ni2 P4 -","- C30 H60 Br2 F4 Ni2 P4 -","- C60 H120 Br4 F8 Ni4 P8 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71073","MoKα","","0.0283","0.0252","","0.0627","0.0609","0.0627","","","","","","1.0189","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549108","8.0074","0.0004","11.3665","0.0004","12.9665","0.0005","90","","94.616","0.004","90","","1176.33","0.09","199.8","1","199.8","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0783","0.0801","","","","","","1.035","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549109","7.8675","0.0005","11.3291","0.0003","12.9347","0.0006","90","","94.392","0.005","90","","1149.51","0.1","110.05","0.1","110.05","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0266","0.0255","","","0.0592","0.0595","","","","","","1.058","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549110","8.13398","0.00018","8.13398","0.00018","31.6136","0.001","90","","90","","90","","2091.61","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C18 H30 F4 Ni P2 -","- C18 H30 F4 Ni P2 -","- C72 H120 F16 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0637","0.0549","","","0.086","0.089","","","","","","1.21","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549111","12.6196","0.0002","14.8011","0.0004","13.2994","0.0002","90","","90","","90","","2484.11","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","Vargini's Ni(I)(PEt3)2(C6F4I)","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.022","0.0204","","","0.0434","0.0447","","","","","","1.065","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549112","14.0519","0.0002","14.4485","0.0003","24.3473","0.0005","90","","90","","90","","4943.2","0.16","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0429","0.029","","","0.0534","0.0593","","","","","","1.118","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549113","9.9032","0.0003","16.1922","0.0006","15.2884","0.0007","90","","93.913","0.004","90","","2445.85","0.16","110.1","0.2","110.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0816","0.0578","","","0.1011","0.1088","","","","","","1.22","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549114","9.4116","0.0005","12.701","0.0008","9.727","0.0005","90","","95.377","0.005","90","","1157.62","0.11","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0846","0.0876","","","","","","0.992","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549115","7.892","0.0005","11.3325","0.0004","12.9439","0.0005","90","","94.434","0.005","90","","1154.19","0.1","111","2","111","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0364","0.0312","","","0.0611","0.0622","","","","","","0.969","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549116","9.95341","0.00011","16.0611","0.0002","15.04577","0.00013","90","","97.0034","0.0009","90","","2387.31","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C72 H120 Cl4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71","MoKα","","0.0343","0.0254","","","0.0496","0.0537","","","","","","1.031","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549117","9.95422","0.00018","16.0712","0.0003","15.0877","0.0003","90","","95.7803","0.0019","90","","2401.4","0.08","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Br F4 I Ni P2 -","- C18 H30 Br F4 I Ni P2 -","- C72 H120 Br4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0435","0.0277","","","0.0543","0.0601","","","","","","1.049","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549118","17.1652","0.0015","8.5185","0.0013","16.935","0.002","90","","96.803","0.01","90","","2458.8","0.5","240","0.14","240","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C72 H120 F20 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0769","0.0559","","","0.1623","0.1825","","","","","","1.077","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549119","9.2736","0.0002","13.2118","0.0003","9.817","0.0002","90","","95.22","0.002","90","","1197.8","0.04","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C36 H60 Cl2 F8 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0288","","","0.0636","0.0655","","","","","","1.023","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549120","7.8141","0.0003","12.9211","0.0004","14.7784","0.0005","76.749","0.003","79.7","0.003","76.748","0.003","1401.12","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F4 I2 Ni P2 -","- C26 H30 F4 I2 Ni P2 -","- C52 H60 F8 I4 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.031","0.0248","","","0.0526","0.0566","","","","","","0.948","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549121","12.19004","0.00019","28.0191","0.0005","14.2344","0.0002","90","","91.6129","0.0013","90","","4859.89","0.13","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","2","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","1.54184","CuKα","","0.0429","0.0358","","","0.0858","0.0904","","","","","","1.027","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549122","17.9956","0.0003","14.2843","0.0002","23.6299","0.0003","90","","111.37","0.001","90","","5656.57","0.15","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Fe N6 O4 P2 -","- C69 H54 Fe N6 O4 P2 -","- C276 H216 Fe4 N24 O16 P8 -","4","1","","Lim, Jia Hui; Engelmann, Xenia; Corby, Sacha; Ganguly, Rakesh; Ray, Kallol; Soo, Han Sen","C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex.","Chemical science","2018","9","16","3992","4002","10.1039/c7sc05378a","","","1.54178","CuKα","","0.102","0.0852","","","0.2194","0.232","","","","","","1.065","","","","has coordinates,has disorder","228747","2020-10-21","18:00:00",""
"1549123","27.5449","0.0003","55.4159","0.0008","10.2412","0.0015","90","","90","","90","","15632","2","193","","193","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C62 H34 F12 Fe N6 P2 -","- C62 H34 F12 Fe N6 P2 -","- C496 H272 F96 Fe8 N48 P16 -","8","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0399","0.0366","","0.0455","0.0428","0.0419","","","","","","1.0494","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549124","16.392","0.0001","16.392","0.0001","21.9038","0.0002","90","","90","","90","","5885.5","0.07","123","","123","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C66 H44 F12 N6 O P2 Ru -","- C66 H44 F12 N6 O P2 Ru -","- C264 H176 F48 N24 O4 P8 Ru4 -","4","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0341","0.0335","","","0.0967","0.0974","","","","","","1.027","","","","has coordinates,has disorder","228817","2020-10-21","18:00:00",""
"1549133","6.6287","0.0003","16.4246","0.0008","21.5858","0.0011","90","","90","","90","","2350.1","0.2","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Au F6 N O Sb -","- C23 H23 Au F6 N O Sb -","- C92 H92 Au4 F24 N4 O4 Sb4 -","4","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0315","0.0262","","","0.0451","0.0466","","","","","","0.999","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549134","7.4651","0.0004","9.8244","0.0005","16.963","0.0009","98.935","0.002","91.454","0.002","106.868","0.002","1172.83","0.11","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H22 Au Cl4 N -","- C24 H22 Au Cl4 N -","- C48 H44 Au2 Cl8 N2 -","2","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0299","0.0247","","","0.0561","0.0583","","","","","","1.093","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549135","10.9502","0.0008","20.9614","0.0014","20.7528","0.0017","90","","97.766","0.006","90","","4719.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H62 N2 P2 -","- C55 H62 N2 P2 -","- C220 H248 N8 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1814","0.1016","","","0.2418","0.3141","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549136","8.3846","0.0012","21.347","0.003","11.6195","0.0015","90","","111.081","0.009","90","","1940.5","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 P2 -","- C48 H52 P2 -","- C96 H104 P4 -","2","0.5","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0594","0.0421","","","0.1039","0.1147","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549137","8.304","0.003","23.286","0.008","13.9","0.005","90","","90.34","0.02","90","","2687.8","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 N2 P -","- C31 H37 N2 P -","- C124 H148 N8 P4 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1245","0.0556","","","0.133","0.1634","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549138","16.9466","0.0007","20.6986","0.0009","23.0289","0.001","90","","90","","90","","8077.9","0.6","151.25","","151.25","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C384 H416 O8 P16 -","8","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0822","0.0616","","","0.1624","0.1791","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549139","16.228","0.0018","16.3739","0.0019","17.6769","0.0019","90","","93.71","0.008","90","","4687.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H64 N2 O P2 -","- C55 H64 N2 O P2 -","- C220 H256 N8 O4 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1117","0.0549","","","0.1173","0.1454","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549140","10.6269","0.0003","14.921","0.0005","17.4851","0.0007","108.065","0.003","102.085","0.003","91.766","0.002","2563.72","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","7,7'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2-phenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) and pyrene","","- C65 H42 F6 N4 O11 -","- C65 H42 F6 N4 O11 -","- C130 H84 F12 N8 O22 -","2","1","","Shaw, John S.; Vaiyapuri, Rajendran; Parker, Matthew P.; Murray, Claire A.; Lim, Kate J. C.; Pan, Cong; Knappert, Marcus; Cardin, Christine J.; Greenland, Barnaby W.; Grau-Crespo, Ricardo; Colquhoun, Howard M.","Elements of fractal geometry in the <sup>1</sup>H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set.","Chemical science","2018","9","17","4052","4061","10.1039/c8sc00830b","","","1.54184","CuKα","","0.0616","0.0516","","0.0999","0.0927","0.0999","","","","","","0.9721","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549141","22.653","0.002","8.3251","0.0007","15.2916","0.0013","90","","107.682","0.003","90","","2747.6","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 B N2 -","- C34 H37 B N2 -","- C136 H148 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1462","0.0642","","","0.1199","0.1471","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549142","7.925","0.0004","21.8524","0.0008","16.0075","0.0006","90","","98.766","0.002","90","","2739.8","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1264","0.0861","","","0.2213","0.2442","","","","","","1.15","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549143","10.294","0.003","11.896","0.004","13.128","0.005","66.239","0.011","88.621","0.011","75.243","0.012","1417.2","0.8","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C68 H78 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1333","0.0671","","","0.1647","0.2045","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549144","8.41","0.005","34.22","0.02","10.14","0.007","90","","97.87","0.02","90","","2891","3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C136 H156 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1708","0.0729","","","0.1755","0.2124","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549145","7.9779","0.0004","21.8456","0.0011","15.7662","0.0008","90","","98.411","0.002","90","","2718.2","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1222","0.0642","","","0.1418","0.1665","","","","","","1.019","","","","has coordinates,has disorder","228811","2020-10-21","18:00:00",""
"1549146","7.2959","0.0003","22.3592","0.0008","17.984","0.0007","90","","92.626","0.002","90","","2930.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 B N O -","- C35 H40 B N O -","- C140 H160 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1","0.0628","","","0.1449","0.1614","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549147","8.1029","0.0004","11.3778","0.0006","18.5298","0.0011","87.821","0.002","85.222","0.002","71.032","0.002","1609.84","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H43 B N2 -","- C39 H43 B N2 -","- C78 H86 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1148","0.0625","","","0.153","0.1761","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549148","32.54","0.04","9.129","0.01","9.286","0.012","90","","90","","90","","2758","6","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H34 B N S -","- C32 H34 B N S -","- C128 H136 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1957","0.0801","","","0.1818","0.2266","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549149","7.868","0.002","12.043","0.004","16.695","0.005","69.575","0.008","77.359","0.008","76.219","0.009","1423.7","0.7","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 B N -","- C34 H38 B N -","- C68 H76 B2 N2 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.2064","0.09","","","0.1975","0.238","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549150","11.4473","0.001","11.8684","0.0011","15.9919","0.0015","94.282","0.004","106.166","0.003","114.679","0.003","1850.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H49 B N2 -","- C45 H49 B N2 -","- C90 H98 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1533","0.0746","","","0.1766","0.2135","","","","","","0.972","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549151","22.112","0.006","8.318","0.002","15.429","0.004","90","","110.321","0.008","90","","2661.2","1.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 B N2 -","- C33 H35 B N2 -","- C132 H140 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1778","0.0973","","","0.212","0.2474","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549152","11.8634","0.0007","11.878","0.0008","18.2134","0.0011","90","","92.179","0.002","90","","2564.7","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N -","- C31 H32 B N -","- C124 H128 B4 N4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.0841","0.0581","","","0.145","0.1595","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549153","7.3461","0.0017","7.8073","0.0019","12.765","0.003","81.469","0.004","78.051","0.004","86.599","0.004","708","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H19 B10 N -","- C9 H19 B10 N -","- C18 H38 B20 N2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0995","0.0607","","","0.1541","0.1751","","","","","","0.977","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549154","12.4232","0.0005","14.9794","0.0006","13.9157","0.0005","90","","109.509","0.001","90","","2440.93","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 B10 Br2 N -","- C21 H25 B10 Br2 N -","- C84 H100 B40 Br8 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0327","0.0257","","","0.0619","0.0653","","","","","","1.053","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549155","18.1161","0.001","8.1173","0.0005","18.6508","0.0011","90","","113.681","0.002","90","","2511.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B10 F3 N O -","- C23 H26 B10 F3 N O -","- C92 H104 B40 F12 N4 O4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0571","0.0518","","","0.2127","0.2324","","","","","","1.118","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549156","8.0494","0.0007","15.8108","0.0012","20.486","0.002","90","","90","","90","","2607.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B10 N -","- C25 H35 B10 N -","- C100 H140 B40 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1101","0.062","","","0.1271","0.1429","","","","","","0.953","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549157","7.7385","0.0006","10.4142","0.0008","15.9824","0.0011","92.169","0.003","102.976","0.002","99.951","0.003","1232.3","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 B10 N2 O2 S -","- C21 H28 B10 N2 O2 S -","- C42 H56 B20 N4 O4 S2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0946","0.053","","","0.1212","0.1362","","","","","","0.893","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549158","10.5093","0.0006","22.2105","0.0013","15.7027","0.0007","90","","105.021","0.002","90","","3540","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 B10 N O P Pd -","- C34 H35 B10 N O P Pd -","- C136 H140 B40 N4 O4 P4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0792","0.0481","","","0.0984","0.109","","","","","","1","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549159","14.4456","0.0007","13.2757","0.0006","19.9354","0.0008","90","","90.292","0.002","90","","3823.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 B20 N2 O Pd -","- C25 H40 B20 N2 O Pd -","- C100 H160 B80 N8 O4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0947","0.0587","","","0.1535","0.174","","","","","","1.051","","","","has coordinates,has disorder","228748","2020-10-21","18:00:00",""
"1549160","17.6118","0.0012","12.1001","0.0009","20.3538","0.0016","90","","94.094","0.003","90","","4326.4","0.6","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 B10 N -","- C19 H31 B10 N -","- C152 H248 B80 N8 -","8","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1079","0.0589","","","0.1165","0.1303","","","","","","1.018","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549222","19.931","0.008","12.616","0.008","21.565","0.012","90","","109.346","0.014","90","","5116","5","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H37 N2 O2 P -","- C24 H37 N2 O2 P -","- C192 H296 N16 O16 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0571","0.0485","","","0.1339","0.1426","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549223","8.3589","0.0017","16.491","0.003","18.049","0.004","90","","93.77","0.03","90","","2482.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N4 P -","- C24 H41 N4 P -","- C96 H164 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.1026","0.0798","","","0.1936","0.207","","","","","","1.086","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549224","8.587","0.002","17.687","0.005","16.43","0.005","90","","99.539","0.006","90","","2460.9","1.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N2 O2 P -","- C26 H33 N2 O2 P -","- C104 H132 N8 O8 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0576","0.0494","","","0.1325","0.1385","","","","","","0.997","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549225","12.8565","0.0018","9.4531","0.0013","19.152","0.003","90","","96.382","0.004","90","","2313.2","0.6","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N4 P -","- C26 H31 N4 P -","- C104 H124 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0489","0.0432","","","0.1188","0.1248","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549226","27.535","0.006","11.39","0.002","20.157","0.004","90","","129.45","0.03","90","","4881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H74 N4 O4 P2 -","- C48 H74 N4 O4 P2 -","- C192 H296 N16 O16 P8 -","4","0.5","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0838","0.0715","","","0.1978","0.2046","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549227","9.2449","0.0012","21.052","0.003","20.977","0.003","90","","94.271","0.002","90","","4071.3","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N4 O4 P2 -","- C38 H54 N4 O4 P2 -","- C152 H216 N16 O16 P8 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0902","0.0749","","","0.2038","0.2112","","","","","","1.157","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549228","19.707","0.005","17.611","0.004","20.439","0.005","90","","90","","90","","7094","3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B N2 O5 P -","- C34 H50 B N2 O5 P -","- C272 H400 B8 N16 O40 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.067","0.0535","","","0.2029","0.2269","","","","","","0.96","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549236","11.269","0.0004","7.3358","0.0003","14.2605","0.0005","90","","101.418","0.001","90","","1155.54","0.07","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 B Br2 N -","- C27 H22 B Br2 N -","- C54 H44 B2 Br4 N2 -","2","1","","Zhang, Weidong; Li, Guoping; Xu, Letian; Zhuo, Yue; Wan, Wenming; Yan, Ni; He, Gang","9,10-Azaboraphenanthrene-containing small molecules and conjugated polymers: synthesis and their application in chemodosimeters for the ratiometric detection of fluoride ions.","Chemical science","2018","9","19","4444","4450","10.1039/c8sc00688a","","","0.71073","MoKα","","0.0304","0.0271","","","0.0646","0.0664","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549237","12.0663","0.0006","10.1526","0.0005","18.2867","0.001","90","","103.196","0.002","90","","2181.05","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-(5-chloro-2-ethoxy-3-(isopropylthio)phenyl)-2-cyclohexylacetyl) oxazolidin-2-one","","- C22 H30 Cl N O4 S -","- C22 H30 Cl N O4 S -","- C88 H120 Cl4 N4 O16 S4 -","4","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.0497","0.0366","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549238","22.362","0.013","58.28","0.03","5.779","0.004","90","","90","","90","","7532","8","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(2-phenyl-2-(4-(phenylthio)phenyl)acetyl)oxazolidin-2-one","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C368 H304 N16 O48 S16 -","16","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.1154","0.0627","","","0.1219","0.1412","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549239","11.7592","0.0013","10.1198","0.001","32.161","0.003","90","","90","","90","","3827.2","0.7","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(1-cyclohexyl-2-oxo-2-(2-oxooxazolidin-3-yl)ethyl)-2-(methylthio)phenyl acetate","","- C20 H25 N O5 S -","- C20 H25 N O5 S -","- C160 H200 N8 O40 S8 -","8","2","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","","0.71073","MoKα","","0.0457","0.0445","","","0.1147","0.1156","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549244","14.617","0.007","14.759","0.007","21.243","0.01","90","","107.874","0.01","90","","4362","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cu F6 N3 Sb Si3 -","- C36 H56 Cu F6 N3 Sb Si3 -","- C144 H224 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.1162","0.0586","","","0.1179","0.1441","","","","","","1.01","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549245","13.3555","0.0016","13.9173","0.0016","18.181","0.002","90","","102.245","0.003","90","","3302.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cu F6 N2 Sb -","- C33 H42 Cu F6 N2 Sb -","- C132 H168 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0958","0.0516","","","0.0932","0.1086","","","","","","1.027","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549246","10.506","0.005","20.813","0.009","20.435","0.009","90","","104.638","0.01","90","","4323","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl2 Cu F6 N2 Sb -","- C40 H56 Cl2 Cu F6 N2 Sb -","- C160 H224 Cl8 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.125","0.0632","","","0.1003","0.1066","","","","","","1.971","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549247","13.605","0.004","14.057","0.004","21.79","0.008","90","","107.833","0.009","90","","3967","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H59 Cu F6 N3 Sb Si3 -","- C33 H59 Cu F6 N3 Sb Si3 -","- C132 H236 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0834","0.0382","","","0.0642","0.0772","","","","","","1.094","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549253","14.6519","0.0006","15.5746","0.0006","27.2406","0.001","90","","90","","90","","6216.2","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","MK402","","","- C26 H49 F3 Ir N2 O2 P2 -","- C26 H49 F3 Ir N2 O2 P2 -","- C208 H392 F24 Ir8 N16 O16 P16 -","8","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0278","0.0193","","","0.0362","0.0386","","","","","","1.031","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549254","11.2846","0.001","14.9634","0.0013","19.8058","0.0017","90","","92.013","0.003","90","","3342.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MK461","","","- C31 H55 Ir N2 O2 P2 -","- C31 H55 Ir N2 O2 P2 -","- C124 H220 Ir4 N8 O8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0696","0.0399","","","0.0642","0.0712","","","","","","1.073","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549255","11.0958","0.0006","15.4511","0.0008","16.0856","0.0009","90","","100.56","0.002","90","","2711","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MK352","","","- C24 H49 Ir N2 P2 -","- C24 H49 Ir N2 P2 -","- C96 H196 Ir4 N8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0253","0.0175","","","0.034","0.0374","","","","","","1.192","","","","has coordinates","228822","2020-10-21","18:00:00",""
"1549256","7.9728","0.0003","21.7175","0.0009","8.7383","0.0003","90","","113.559","0.001","90","","1386.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","MK 460","","","- C25 H49 Ir N2 O2 P2 -","- C25 H49 Ir N2 O2 P2 -","- C50 H98 Ir2 N4 O4 P4 -","2","0.5","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0272","0.0212","","","0.0369","0.038","","","","","","1.12","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549269","5.4738","0.0009","16.81","0.003","14.183","0.002","90","","95.627","0.007","90","","1298.8","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 Br N2 O3 -","- C28 H33 Br N2 O3 -","- C56 H66 Br2 N4 O6 -","2","1","","Hu, Qiupeng; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2018","9","18","4348","4351","10.1039/c8sc00808f","","","0.71075","MoKα","","0.0891","0.0596","","","0.128","0.1407","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549270","12.0961","0.0004","12.0961","0.0004","30.6664","0.0011","90","","90","","120","","3885.8","0.2","130.01","0.1","130.01","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C192 H198 N6 O18 -","6","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","0.71073","MoKα","","0.0879","0.0546","","","0.1232","0.1439","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549271","10.2041","0.0002","12.0967","0.0002","10.8841","0.0002","90","","109.609","0.002","90","","1265.57","0.04","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C64 H66 N2 O6 -","2","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0738","0.0742","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549273","10.5101","0.0004","20.6596","0.0009","22.4637","0.0008","90","","90","","90","","4877.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Cl4 Cu2 O4 P4 -","- C45 H58 Cl4 Cu2 O4 P4 -","- C180 H232 Cl16 Cu8 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0343","0.0315","","","0.0802","0.0816","","","","","","1.037","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549274","13.69","0.0007","16.8264","0.0008","30.4315","0.0014","90","","90","","90","","7010","0.6","100","2","99.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C256 H368 Cl8 Cu8 N16 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0407","0.035","","","0.1064","0.1105","","","","","","1.06","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549275","28.898","0.003","11.2532","0.0009","21.7565","0.0019","90","","105.318","0.005","90","","6823.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 B F15 P -","- C36 H35 B F15 P -","- C288 H280 B8 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","1.54178","CuKα","","0.1662","0.1155","","","0.2947","0.3337","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549276","10.9369","0.0002","12.602","0.0002","15.7611","0.0004","90.384","0.001","97.992","0.001","111.759","0.002","1993.92","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H33 B F15 O2 P S -","- C36 H33 B F15 O2 P S -","- C72 H66 B2 F30 O4 P2 S2 -","2","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0598","0.0496","","","0.1112","0.1175","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549277","20.8497","0.0008","16.0333","0.0006","23.8954","0.0009","90","","90","","90","","7988","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 B Cl4 F15 P -","- C38 H37 B Cl4 F15 P -","- C304 H296 B8 Cl32 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0499","0.0405","","","0.0993","0.1073","","","","","","1.047","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549278","9.5578","0.0012","20.653","0.002","8.4644","0.001","90","","108.514","0.006","90","","1584.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0953","0.0687","","","0.1679","0.1948","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549279","7.6388","0.001","11.2206","0.0013","11.3511","0.0013","116.079","0.003","109.218","0.004","91.505","0.004","808.23","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C36 H40 Br2 N2 O2 -","2","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0258","0.0237","","","0.063","0.0643","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549280","11.282","0.007","11.457","0.007","14.934","0.009","84.071","0.019","88.539","0.015","84.074","0.013","1910","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H19.5 Cl1.5 N O3 -","- C21.5 H19.5 Cl1.5 N O3 -","- C86 H78 Cl6 N4 O12 -","4","2","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0704","0.0451","","","0.0929","0.1031","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549281","11.8837","0.001","10.0611","0.0007","19.6889","0.0016","90","","107.518","0.003","90","","2244.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0637","0.0513","","","0.1177","0.1254","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549282","11.3925","0.0006","16.9868","0.0008","21.7195","0.0011","94.871","0.002","98.674","0.002","92.305","0.002","4134.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","CoTpAd,MeOTf","","- C43 H58 B Co F3 N6 O3 S -","- C43 H58 B Co F3 N6 O3 S -","- C172 H232 B4 Co4 F12 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","","0.71073","MoKα","","0.0646","0.0411","","","0.0979","0.1106","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549283","10.4248","0.0007","12.9027","0.0009","15.4799","0.0011","101.302","0.002","105.089","0.002","113.446","0.002","1735.7","0.2","100","2","100","2","","","","","","","","9","P 1","P 1","1","","[CoTptBuPhIO][BArF4]","","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","1","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.029","0.0256","","","0.0518","0.0528","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549284","10.4361","0.001","20.2414","0.0018","15.3862","0.0014","90","","91.209","0.003","90","","3249.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","CoTptBuOTf","CoTptBuOTf","","- C26 H44 B Co F3 N6 O4 S -","- C26 H44 B Co F3 N6 O4 S -","- C104 H176 B4 Co4 F12 N24 O16 S4 -","4","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.0337","0.0277","","","0.0648","0.0673","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:57",""
"1549285","14.2995","0.0009","16.0821","0.0011","38.551","0.003","95.079","0.002","97.357","0.002","97.863","0.002","8658.9","1.1","100","","100","2","","","","","","","","10","P -1","-P 1","2","","[CoTpAd,MePhIO][BArF4]","","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C338 H336 B8 Cl4 Co4 F96 I4 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1561","0.0887","","","0.161","0.1833","","","","","","1.068","","","","has coordinates,has disorder","301779","2025-08-18","16:06:57",""
"1549286","13.018","0.003","17.299","0.004","19.933","0.004","69.338","0.004","77.588","0.005","78.279","0.005","4062","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","[CoTptBuPhIO2][BArF4]","","- C71 H77 B2 Co F24 I N6 O6 S -","- C71 H77 B2 Co F24 I N6 O6 S -","- C142 H154 B4 Co2 F48 I2 N12 O12 S2 -","2","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.41328","synchrotron","","0.067","0.0624","","","0.1946","0.199","","","","","","1.022","","","","has coordinates,has disorder","301779","2025-08-18","16:07:06",""
"1549287","21.493","0.0017","22.3378","0.0019","38.715","0.003","90","","90","","90","","18587","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C93 H100 B2 Co F27 N8 O4 S -","- C93 H100 B2 Co F27 N8 O4 S -","- C744 H800 B16 Co8 F216 N64 O32 S8 -","8","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1568","0.1073","","","0.2609","0.2964","","","","","","1.023","","","","has coordinates,has disorder","301779","2025-08-18","16:07:07",""
"1549288","8.3475","0.00016","10.314","0.0002","21.0732","0.0004","90","","90","","90","","1814.32","0.06","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0326","0.0285","","","0.069","0.0713","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:07:15",""
"1549289","18.1203","0.0005","6.99093","0.00014","19.2375","0.0005","90","","112.45","0.003","90","","2252.27","0.11","99.9","0.2","99.9","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.044","0.039","","","0.0954","0.0989","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:07:16",""
"1549290","11.90924","0.00015","17.5617","0.0002","9.90343","0.00013","90","","101.393","0.0013","90","","2030.45","0.04","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0369","0.0352","","","0.0869","0.0883","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549291","14.1772","0.0003","10.8633","0.0002","14.2137","0.0003","90","","95.1137","0.0016","90","","2180.36","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0482","0.0371","","","0.1066","0.1132","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549292","17.4337","0.0014","6.9903","0.0004","17.935","0.0012","90","","103.64","0.007","90","","2124","0.3","99.99","0.1","99.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.1085","0.0615","","","0.1268","0.1463","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549293","18.2724","0.0017","19.5178","0.0015","18.301","0.002","90","","113.791","0.012","90","","5972.2","1.1","220.03","0.1","220.03","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 -","- C30 H22 -","- C360 H264 -","12","1.5","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.1205","0.0618","","","0.1076","0.1257","","","","","","1","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549294","7.396","0.0002","30.1314","0.0011","18.311","0.0007","90","","91.801","0.003","90","","4078.6","0.2","99.93","0.16","99.93","0.16","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 -","- C29 H24 -","- C232 H192 -","8","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0904","0.0571","","","0.1201","0.1345","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549295","11.9827","0.0013","13.0612","0.0015","14.0684","0.0017","117.413","0.006","92.608","0.006","90.268","0.007","1951.7","0.4","296","2","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","","0.71073","MoKα","","0.0577","0.0501","","","0.1357","0.1427","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549296","14.6013","0.001","16.3421","0.001","18.0401","0.0011","90","","93.323","0.003","90","","4297.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cp""2Th(IV)AlanateChloride","Cp""2Th(IV)AlanateChloride","","- C36 H72 Al Cl Si3 Th -","- C36 H72 Al Cl Si3 Th -","- C144 H288 Al4 Cl4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.029","0.0254","","","0.0561","0.0583","","","","","","1.142","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549297","10.4534","0.0005","12.854","0.0006","17.8476","0.0008","72.09","0.002","79.893","0.002","66.898","0.002","2094.82","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Cp""2U(III)Alanate","Cp""2U(III)Alanate","","- C36 H72 Al Si3 U -","- C36 H72 Al Si3 U -","- C72 H144 Al2 Si6 U2 -","2","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.0204","0.0188","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549298","18.541","0.016","12.528","0.01","18.971","0.016","90","","105.644","0.009","90","","4243","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp""2Th(IV)AlanateHydride","Cp""2Th(IV)AlanateHydride","","- C36 H73 Al Si3 Th -","- C36 H73 Al Si3 Th -","- C144 H292 Al4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.0844","0.0477","","","0.084","0.0945","","","","","","1.034","","","","has coordinates","228824","2020-10-21","18:00:00",""
"1549299","12.933","0.008","12.816","0.008","13.179","0.008","90","","94.46","0.004","90","","2178","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cp""2Th(III)Alanate","Cp""2Th(III)Alanate","","- C36 H72 Al Si3 Th -","- C36 H72 Al Si2.9988 Th -","- C72 H144 Al2 Si5.9976 Th2 -","2","0.5","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.028","0.024","","","0.0571","0.0588","","","","","","1.059","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549300","14.01776","0.00012","11.68842","0.0001","18.61137","0.00019","90","","97.6225","0.0009","90","","3022.44","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 I2 N4 O2 -","- C62 H88 I2 N4 O2 -","- C124 H176 I4 N8 O4 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.026","0.022","","","0.0482","0.0499","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549301","10.4185","0.0005","10.5244","0.0005","25.1966","0.0007","97.968","0.003","90.283","0.003","110.092","0.004","2565.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 N4 -","- C60 H80 N4 -","- C120 H160 N8 -","2","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0881","0.0716","","","0.2049","0.2208","","","","","","1.068","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549302","9.397","0.0003","11.5574","0.0005","15.1108","0.0006","70.87","0.004","84.424","0.003","76.36","0.003","1506.4","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 N4 O -","- C66 H84 N4 -","- C66 H84 N4 -","1","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0563","0.0483","","","0.1243","0.1314","","","","","","1.038","","","","has coordinates,has disorder","228645","2020-10-21","18:00:00",""
"1549303","9.3343","0.0002","17.7848","0.0003","20.1423","0.0004","90","","95.674","0.002","90","","3327.41","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.21 H96.87 Br2 N4 O3.22 -","- C69.218 H96.872 Br2 N4 O3.218 -","- C138.436 H193.744 Br4 N8 O6.436 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.0918","0.0733","","","0.1365","0.143","","","","","","1.173","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549304","7.463","0.0014","23.83","0.005","11.556","0.003","90","","101.301","0.018","90","","2015.3","0.8","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.1707","0.0688","","","0.162","0.2031","","","","","","0.935","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549305","7.1516","0.0004","8.5555","0.0005","16.6112","0.001","100.052","0.005","95.016","0.005","90.498","0.005","996.63","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C56 H36 N4 O2 -","2","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.085","0.0549","","","0.1342","0.1659","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549306","30.0936","0.0007","30.0936","0.0007","39.3554","0.0013","90","","90","","90","","35641.2","1.7","190","1","190","1","","","","","","","","6","P 4/n :2","-P 4a","85","","cluster-1","","- C366 H508 Cd24 N24 O178 Tb8 -","- C366 H508 Cd24 N24 O178 Tb8 -","- C732 H1016 Cd48 N48 O356 Tb16 -","2","0.25","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.1763","0.0639","","","0.185","0.2384","","","","","","0.918","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549307","54.777","0.011","61.944","0.012","79.935","0.016","90","","90","","90","","271228","9","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C386 H560 Cd24 N24 O190 Tb8 -","- C386 H560 Cd24 N24 O190 Tb8 -","- C6176 H8960 Cd384 N384 O3040 Tb128 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2569","0.1275","","","0.3051","0.3226","","","","","","1.039","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549308","54.621","0.011","61.479","0.012","100.21","0.02","90","","90","","90","","336510","12","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C6856.16 H10105.6 Cd384 N384 O2732.96 Tb128 -","4","0.125","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2097","0.0959","","","0.2256","0.2463","","","","","","1.084","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549309","42.806","0.006","42.806","0.006","37.886","0.008","90","","90","","90","","69421","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C386 H500 Cd24 N24 O177 Tb8 -","- C386 H500 Cd24 N24 O177 Tb8 -","- C1544 H2000 Cd96 N96 O708 Tb32 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.161","0.0892","","","0.2151","0.2444","","","","","","1.107","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549310","11.5253","0.0008","16.1662","0.0011","16.7311","0.0012","81.943","0.001","88.463","0.001","69.635","0.001","2892.8","0.4","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H103 K Mn O14 -","- C50 H103 K Mn O14 -","- C100 H206 K2 Mn2 O28 -","2","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.0939","0.0489","","","0.0942","0.1088","","","","","","1.004","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549311","11.3584","0.0005","17.2479","0.0008","29.111","0.0013","90","","91.552","0.0009","90","","5701","0.4","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H103 K Mn O13 -","- C50 H103 K Mn O13 -","- C200 H412 K4 Mn4 O52 -","4","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.118","0.083","","","0.2151","0.2413","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549312","18.3234","0.0012","15.9361","0.001","16.771","0.0011","90","","122.093","0.001","90","","4148.8","0.5","100","2","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H79 K Mn O5 -","- C38 H79 K Mn O5 -","- C152 H316 K4 Mn4 O20 -","4","0.5","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.061","0.0517","","","0.1347","0.144","","","","","","1.031","","","","has coordinates,has disorder","228741","2020-10-21","18:00:00",""
"1549313","14.295","0.008","14.544","0.01","17.347","0.011","100.67","0.03","107.46","0.02","105.51","0.03","3174","4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-bis(phenylethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H46 B F24 Na O9 -","- C62 H46 B F24 Na O9 -","- C124 H92 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0734","0.0524","","","0.1185","0.1311","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549314","19.142","0.004","24.665","0.005","26.029","0.006","90","","90","","90","","12289","5","150","2","149.96","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,9-diphenyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C58 H46 B F24 Na O9 -","- C58 H46 B F24 Na O9 -","- C464 H368 B8 F192 Na8 O72 -","8","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0734","0.0451","","","0.0953","0.1113","","","","","","1.017","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549315","20.158","0.005","17.085","0.005","20.698","0.006","90","","101.158","0.014","90","","6994","3","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,9-dibenzyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H52 B F30 Na O9 -","- C62 H52 B F30 Na O9 -","- C248 H208 B4 F120 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0998","0.0752","","","0.2112","0.2342","","","","","","1.036","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549316","13.9002","0.0003","14.0497","0.0003","21.1609","0.0005","101.417","0.0019","103.6","0.002","101.486","0.002","3804.07","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","1,9-bis((trimethylsilyl)ethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C65 H75 B F24 Na O9 Si2 -","- C65 H75 B F24 Na O9 Si2 -","- C130 H150 B2 F48 Na2 O18 Si4 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.1137","0.0704","","","0.1618","0.1836","","","","","","1.043","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549317","12.8768","0.0003","17.6754","0.0004","22.1097","0.0005","90","","90","","90","","5032.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C46 H38 B F24 Li O9 -","- C46 H38 B F24 Li O9 -","- C184 H152 B4 F96 Li4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.057","0.0411","","","0.085","0.0929","","","","","","1.038","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549318","16.654","0.008","18.497","0.008","20.536","0.009","70.108","0.016","83.341","0.017","89.951","0.013","5903","5","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","(1,9-diethynyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C204 H156 B4 Cl12 F96 Na4 O36 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0783","0.0632","","","0.1442","0.1547","","","","","","1.053","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549319","13.0127","0.0004","19.6275","0.0007","25.4722","0.0008","90","","96.246","0.003","90","","6467.2","0.4","150","0.14","150","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,9-bis(chloromethyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C50 H41.87 B Cl8 F24 Na O9 -","- C49.9999 H41.8749 B Cl8.0027 F24 Na O9 -","- C200 H167.5 B4 Cl32.0108 F96 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0975","0.0629","","","0.1451","0.1671","","","","","","1.015","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549320","12.434","0.004","12.984","0.005","20.025","0.007","93.798","0.013","107.54","0.012","104.457","0.008","2949.7","1.8","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-dibutyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C54 H54 B F24 Na O9 -","- C54 H54 B F24 Na O9 -","- C108 H108 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.061","0.0492","","","0.1186","0.1261","","","","","","1.045","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549332","18.3209","0.0005","12.3996","0.0003","12.1068","0.0003","90","","98.766","0.001","90","","2718.2","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br2 Cl3 N O -","- C8 H12 Br2 Cl3 N O -","- C64 H96 Br16 Cl24 N8 O8 -","8","1","","Wappes, Ethan A.; Vanitcha, Avassaya; Nagib, David A.","β C-H di-halogenation <i>via</i> iterative hydrogen atom transfer.","Chemical science","2018","9","19","4500","4504","10.1039/c8sc01214h","","x-ray","0.71073","MoKα","","0.0214","0.0177","","","0.0392","0.0404","","","","","","1.074","","","","has coordinates","228746","2020-10-21","18:00:00",""
"1549333","12.799","0.002","13.808","0.002","13.844","0.002","64.938","0.004","70.414","0.004","66.334","0.004","1989.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 B N2 O -","- C48 H57 B N2 O -","- C96 H114 B2 N4 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0884","0.0538","","","0.1229","0.1391","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549334","9.499","0.004","22.755","0.007","19.041","0.006","90","","91.58","0.03","90","","4114","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 B2 N2 O -","- C43 H68 B2 N2 O -","- C172 H272 B8 N8 O4 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0551","0.0407","","","0.1026","0.1128","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549335","26.74","0.01","9.4128","0.0011","30.763","0.012","90","","100.73","0.03","90","","7608","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H52 B Cl N2 -","- C45 H52 B Cl N2 -","- C360 H416 B8 Cl8 N16 -","8","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1392","0.0666","","","0.1223","0.1474","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549336","10.756","0.011","12.715","0.012","18.183","0.013","81.15","0.05","87.75","0.03","68.37","0.04","2284","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H72 B2 N4 O -","- C51.5 H72 B2 N4 O -","- C103 H144 B4 N8 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1248","0.0616","","","0.1359","0.1617","","","","","","1.016","","","","has coordinates,has disorder","228630","2020-10-21","18:00:00",""
"1549337","12.303","0.005","12.532","0.003","24.192","0.017","90","","100.95","0.04","90","","3662","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 B N2 -","- C45 H51 B N2 -","- C180 H204 B4 N8 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1478","0.0647","","","0.1169","0.1431","","","","","","0.994","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549338","6.612","0.0006","7.8997","0.0007","15.4119","0.0013","90","","92.455","0.003","90","","804.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 O2 S -","- C19 H21 O2 S -","- C38 H42 O4 S2 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.084","0.0824","","","0.2256","0.2279","","","","","","1.044","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549339","12.5495","0.0006","6.3424","0.0003","13.2506","0.0006","90","","92.671","0.002","90","","1053.52","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 B O4 -","- C24 H27 B O4 -","- C48 H54 B2 O8 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.0267","0.026","","","0.0676","0.0682","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549367","14.361","0.003","9.517","0.0019","15.449","0.003","90","","99.257","0.003","90","","2084","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(TAP)Co","","- C54 H42 Co N4 O4 -","- C54 H42 Co N4 O4 -","- C108 H84 Co2 N8 O8 -","2","0.5","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0493","0.0459","","","0.1042","0.1062","","","","","","1.128","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549368","21.495","0.002","13.598","0.003","16.434","0.004","90","","90","","90","","4803.5","1.6","173.15","","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","(TAP)Co-(1-(p-fluorophenyl)vinyl)","","- C62 H48 Co F N4 O4 -","- C62 H48 Co F N4 O4 -","- C248 H192 Co4 F4 N16 O16 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0626","0.0581","","","0.161","0.1663","","","","","","1.093","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549369","17.25","0.005","13.082","0.003","32.044","0.009","90","","96.735","0.004","90","","7181","3","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(TPFC)Sn-Co(TAP)","","- C85 H44 Co F15 N8 O4 Sn -","- C85 H44 Co F15 N8 O4 Sn -","- C340 H176 Co4 F60 N32 O16 Sn4 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1103","0.094","","","0.202","0.2127","","","","","","1.173","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549370","12.8962","0.0018","15.333","0.002","21.248","0.003","101.533","0.002","90.07","0.002","106.286","0.002","3944.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(TPFC)Sn-O-Sn(TPFC)","","- C74 H16 F30 N8 O Sn2 -","- C74 H16 F30 N8 O Sn2 -","- C148 H32 F60 N16 O2 Sn4 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0606","0.0557","","","0.1298","0.1333","","","","","","1.089","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549371","15.523","0.004","16.499","0.002","20.024","0.002","93.436","0.01","111.524","0.01","102.953","0.011","4591.9","1.5","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","(TPFC)Sn-(p-MeO-phenylacetylene)-Co(TAP)","","- C94 H52 Co F15 N8 O5 Sn -","- C94 H52 Co F15 N8 O5 Sn -","- C188 H104 Co2 F30 N16 O10 Sn2 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1385","0.1133","","","0.2258","0.2423","","","","","","1.173","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549373","7.0231","0.0008","17.534","0.002","14.6817","0.0019","90","","90","","90","","1807.9","0.4","152","2","152","2","","","","","","","Pyxidicoccus fallax","4","P c a 21","P 2c -2ac","29","","Pyxidicycline A","","- C22 H17 N O9 -","- C22 H17 N O9 -","- C88 H68 N4 O36 -","4","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.0653","0.0452","","","0.1135","0.1236","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549374","7.0902","0.0012","7.9097","0.0015","17.33","0.003","89.561","0.013","84.797","0.011","74.655","0.012","933.2","0.3","172","2","172","2","","","","","","","Pyxidicoccus fallax","4","P -1","-P 1","2","","Pyxidicycline B","","- C22 H17 N O9 -","- C22 H15 N O9 -","- C44 H30 N2 O18 -","2","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.2936","0.1357","","","0.3337","0.3784","","","","","","1.614","","","","has coordinates,has disorder","228835","2020-10-21","18:00:00",""
"1549375","14.6864","0.0004","15.1284","0.0005","29.6362","0.0007","90","","99.037","0.001","90","","6502.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H33 Cl Ir N6 S2 -","- C54 H33 Cl Ir N6 S2 -","- C216 H132 Cl4 Ir4 N24 S8 -","4","1","","Guan, Ruilin; Chen, Yu; Zeng, Leli; Rees, Thomas W.; Jin, Chengzhi; Huang, Juanjuan; Chen, Zhe-Sheng; Ji, Liangnian; Chao, Hui","Oncosis-inducing cyclometalated iridium(iii) complexes.","Chemical science","2018","9","23","5183","5190","10.1039/c8sc01142g","","","0.71073","MoKα","","0.0653","0.0533","","","0.1492","0.1663","","","","","","1.055","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549376","16.963","0.003","16.963","0.003","11.4256","0.0018","90","","90","","120","","2847.2","0.8","93","","93","","","","","","","","","7","P 61","P 61","169","","","","- C19 H13 Br F3 N O3 S -","- C19 H11 Br F3 N O3 S -","- C114 H66 Br6 F18 N6 O18 S6 -","6","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","0.71075","MoKα","","0.0435","0.0382","","","0.097","0.0988","","","","","","1.022","","","","has coordinates","228831","2020-10-21","18:00:00",""
"1549377","27.4219","0.0002","27.4219","0.0002","15.9884","0.0002","90","","90","","90","","12022.7","0.19","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C27 H42 Cl4 N2 Pd -","- C27 H40 Cl4 N2 Pd -","- C432 H640 Cl64 N32 Pd16 -","16","1","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","","1.54178","CuKα","","0.0558","0.0543","","","0.1536","0.1554","","","","","","1.122","","","","has coordinates,has disorder","230952","2020-10-21","18:00:00",""
"1549378","13.5058","0.0003","13.9638","0.0003","21.6147","0.0008","90","","90","","90","","4076.4","0.2","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl2 N2 Pd -","- C20 H28 Cl2 N2 Pd -","- C160 H224 Cl16 N16 Pd8 -","8","1","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0407","0.0286","","","0.0584","0.0626","","","","","","1.03","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549379","11.5645","0.0001","21.3415","0.0003","13.8095","0.0002","90","","90","","90","","3408.24","0.07","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H46 Cl2 N2 O Pd -","- C36 H46 Cl2 N2 O Pd -","- C144 H184 Cl8 N8 O4 Pd4 -","4","0.5","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0311","0.0256","","","0.0612","0.0638","","","","","","1.058","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549380","14.0031","0.0004","17.0473","0.0004","21.8047","0.0007","90","","102.678","0.003","90","","5078.2","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 N2 O Pd -","- C28 H30 Cl2 N2 O Pd -","- C224 H240 Cl16 N16 O8 Pd8 -","8","2","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0432","0.0326","","","0.0705","0.0769","","","","","","1.044","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549382","11.6959","0.0003","16.06","0.0004","11.9522","0.0003","90","","91.981","0.001","90","","2243.71","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O3 S Si -","- C21 H29 N O3 S Si -","- C84 H116 N4 O12 S4 Si4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0438","0.0428","","","0.1095","0.1106","","","","","","1.106","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549383","10.5498","0.0005","19.255","0.0009","10.4914","0.0005","90","","105.495","0.002","90","","2053.72","0.17","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3-Bpin-5-F-2-Me-1-SO2Ph indoline","","- C21 H25 B F N O4 S -","- C21 H25 B F N O4 S -","- C84 H100 B4 F4 N4 O16 S4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0494","0.0435","","","0.1123","0.1172","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549384","11.4322","0.0011","12.2773","0.0011","12.5149","0.0012","103.535","0.002","107.265","0.002","110.653","0.002","1452.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","x-ray","0.41328","Synchrotron","","0.0391","0.0337","","","0.0881","0.0905","","","","","","1.078","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549385","11.408","0.002","12.249","0.002","12.519","0.002","103.477","0.0018","107.088","0.0017","110.797","0.0017","1447.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0303","0.028","","","0.0691","0.0714","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549386","11.5228","0.0008","12.2661","0.0008","12.5357","0.0008","103.595","0.002","106.954","0.002","111.073","0.002","1462.29","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Li2 Mg1.07 Ni0.93 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0406","0.0318","","","0.0654","0.0688","","","","","","1.094","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549387","11.5502","0.0008","12.2971","0.0009","12.5192","0.0009","103.554","0.002","107.079","0.002","110.959","0.002","1468.06","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co1.06 Li2 Mg0.94 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0516","0.0383","","","0.0749","0.081","","","","","","1.093","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549388","14.5653","0.0002","25.3532","0.0005","31.1528","0.0004","90","","91.249","0.001","90","","11501.3","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2","2","","- C113 H184 O6 Si8 Ti4 -","- C113 H184 O6 Si8 Ti4 -","- C452 H736 O24 Si32 Ti16 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","1.54184","CuKα","","0.1441","0.1285","","","0.3566","0.3833","","","","","","0.942","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549389","12.9536","0.0005","22.7968","0.0009","18.9201","0.0008","90","","92.537","0.004","90","","5581.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","3","","- C55 H92 O2 Si4 Ti2 -","- C54.968 H91.904 O2 Si4 Ti2 -","- C219.872 H367.616 O8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","0.71075","MoKα","","0.1407","0.0836","","","0.214","0.2501","","","","","","1.033","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549391","10.683","0.002","11.322","0.002","11.736","0.002","67.493","0.009","86.541","0.01","76.417","0.01","1274","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","1","0.5","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0593","0.0613","","","","","","1.055","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549392","19.6962","0.0007","19.6962","0.0007","29.9535","0.0013","90","","90","","90","","11620.2","0.8","299.43","","299.43","","","","","","","","","5","I 4/m","-I 4","87","","","","- C60 H148 Cl42 O76 U38 -","- C60 H148 Cl42 O76 U38 -","- C120 H296 Cl84 O152 U76 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","","0.71073","MoKα","","0.1188","0.0409","","","0.0749","0.0942","","","","","","1.017","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549397","24.712","0.007","8.4842","0.0015","24.907","0.006","90","","101.616","0.01","90","","5115","2","299","2","299","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(hex-5-ynyl)-3-(3-(2-(trimethylsilyl)ethynyl)phenyl)thiourea","","- C24 H36 N2 S Si -","- C24 H36 N2 S Si -","- C192 H288 N16 S8 Si8 -","8","1","","Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M.","The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides","Polymer Chemistry","2018","9","20","2759","","10.1039/C8PY00282G","","","1.54184","CuKα","","0.0613","0.047","","","0.1331","0.1468","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549398","23.057","0.002","13.6098","0.0012","23.378","0.002","90","","110.977","0.002","90","","6849.8","1","110","","110","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H84 Co I3 N6 O6 S6 -","- C54 H84 Co I3 N6 O6 S6 -","- C216 H336 Co4 I12 N24 O24 S24 -","4","2","","Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.","The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents.","Chemical science","2018","9","22","5087","5099","10.1039/c8sc01510d","","x-ray","0.71073","MoKα","","0.0985","0.0813","","","0.1382","0.1497","","","","","","1.221","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549399","13.2526","0.0017","8.5485","0.0011","23.163","0.003","90","","97.46","0.003","90","","2601.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O3 S -","- C30 H30 N2 O3 S -","- C120 H120 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0692","0.0488","","","0.1283","0.1424","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549400","9.5994","0.0004","14.7775","0.0006","19.9833","0.001","90","","90","","90","","2834.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O3 S -","- C33 H32 N2 O3 S -","- C132 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0781","0.0498","","","0.1071","0.1246","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549401","14.6758","0.0017","8.1119","0.001","22.258","0.003","90","","97.042","0.003","90","","2629.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N2 O3 S -","- C30 H32 N2 O3 S -","- C120 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0735","0.0517","","","0.1274","0.1402","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549403","29.697","0.004","33.356","0.005","5.4539","0.0008","90","","90","","90","","5402.5","1.3","170","","170","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H32 N6 O5 -","- C32 H32 N6 O5 -","- C256 H256 N48 O40 -","8","0.5","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.0556","0.0401","","","0.0857","0.092","","","","","","1.006","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549404","12.646","0.002","8.4619","0.0016","17.452","0.003","90","","90.459","0.005","90","","1867.5","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C88 H80 N16 O8 -","4","2","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.1385","0.0607","","","0.1164","0.1516","","","","","","0.966","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549405","7.731","0.0003","8.2071","0.0003","11.5044","0.0004","90","","107.779","0.0011","90","","695.08","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0691","0.0692","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549406","14.4518","0.0005","15.8358","0.0005","14.1208","0.0004","90","","93.946","0.001","90","","3223.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 N3 O4 -","- C34 H51 N3 O4 -","- C136 H204 N12 O16 -","4","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0343","0.0334","","","0.0835","0.0843","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549407","5.0463","0.0003","10.357","0.0005","13.2269","0.0007","90","","92.007","0.002","90","","690.87","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C32 H28 Cl2 N2 O4 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0231","0.023","","","0.0634","0.0635","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549408","12.7206","0.0003","36.0918","0.0007","22.8341","0.0004","90","","90","","90","","10483.3","0.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C112 H88 Co N8 O8 -","- C112 H88 Co N8 O8 -","- C448 H352 Co4 N32 O32 -","4","0.5","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0432","0.0359","","","0.0826","0.0854","","","","","","0.969","","","","has coordinates,has disorder","228653","2020-10-21","18:00:00",""
"1549409","14.8145","0.0002","12.6491","0.0002","11.5796","0.0002","90","","106.709","","90","","2078.28","0.06","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0284","","","","0.0739","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549410","12.592","0.0011","7.7321","0.0007","21.336","0.003","90","","96.291","0.007","90","","2064.8","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0302","","","","0.0772","","","","","","0.979","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549411","7.6263","0.0006","16.9562","0.0013","10.843","0.0009","90","","92.648","0.004","90","","1400.64","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C","","","- C13 H12 Cl F6 N O -","- C13 H12 Cl F6 N O -","- C52 H48 Cl4 F24 N4 O4 -","4","1","","Carestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J.","Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals.","Chemical science","2018","9","24","5360","5365","10.1039/c8sc01756e","","","0.71073","MoKα","","0.0385","0.0312","","","0.084","0.0887","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549414","9.1247","0.0008","11.1474","0.0011","11.9275","0.0012","90","","90.442","0.003","90","","1213.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H12 B Br F3 N -","- C11 H12 B Br F3 N -","- C44 H48 B4 Br4 F12 N4 -","4","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0384","0.0389","","","","","","0.908","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549415","6.1042","0.0002","37.0556","0.001","7.9394","0.0002","90","","93.529","0.003","90","","1792.45","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F4 N -","- C8 H8 B F4 N -","- C64 H64 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0692","0.0653","","","0.1939","0.198","","","","","","1.094","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549416","8.4831","0.0001","8.7906","0.0001","17.8568","0.0002","90","","90","","90","","1331.61","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 B F4 N -","- C13 H18 B F4 N -","- C52 H72 B4 F16 N4 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0813","0.082","","","","","","1.1","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549417","9.1554","0.0001","14.8171","0.0001","24.131","0.0002","90","","93.931","0.001","90","","3265.82","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H39 B2 F8 N2 O0.5 -","- C35.5 H39 B2 F8 N2 O0.5 -","- C142 H156 B8 F32 N8 O2 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0537","0.0453","","","0.1196","0.125","","","","","","1.036","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549418","10.8597","0.0001","11.1368","0.0001","19.408","0.0002","90","","90","","90","","2347.25","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F4 N -","- C11 H14 B F4 N -","- C88 H112 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0318","0.0304","","","0.0743","0.0753","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549419","12.987","0.01","23.653","0.017","7.519","0.005","90","","90","","90","","2310","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Na2Ga2GeSSe5","Na2Ga2GeSSe5","","- Ga2 Ge Na2 S Se5 -","- Ga2 Ge Na2 S Se5 -","- Ga16 Ge8 Na16 S8 Se40 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0389","0.0376","","","0.0995","0.1013","","","","","","1.056","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549420","12.985","0.004","23.88","0.008","7.585","0.003","90","","90","","90","","2352","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2GeSe6","","- Ga2 Ge Na2 Se6 -","- Ga2 Ge Na2 Se6 -","- Ga16 Ge8 Na16 Se48 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0318","0.0272","","","0.0567","0.0576","","","","","","1.134","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549421","13.329","0.003","24.291","0.007","7.621","0.002","90","","90","","90","","2467.5","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2SnSe6","","- Ga2 Na2 Se6 Sn -","- Ga2 Na2 Se6 Sn -","- Ga16 Na16 Se48 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0321","0.0312","","","0.0842","0.0844","","","","","","1.695","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549422","13.264","0.004","23.936","0.007","7.514","0.002","90","","90","","90","","2385.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Na2Ga2SnSSe5","","- Ga2 Na2 S Se5 Sn -","- Ga2 Na2 S Se5 Sn -","- Ga16 Na16 S8 Se40 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0352","0.0338","","","0.0887","0.0892","","","","","","1.504","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549423","20.8091","0.001","20.8091","0.001","6.5883","0.0004","90","","90","","120","","2470.6","0.2","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0824","0.0726","","","0.1768","0.1849","","","","","","1.039","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549424","20.7637","0.0003","20.7637","0.0003","6.5915","0.0001","90","","90","","120","","2461.07","0.06","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0694","0.0631","","","0.1502","0.1538","","","","","","1.117","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549425","8.8976","0.0003","9.7399","0.0003","15.4155","0.0005","93.972","0.001","99.602","0.001","107.215","0.001","1248.19","0.07","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C26 H40 N2 O6 -","- C26 H40 N2 O6 -","- C52 H80 N4 O12 -","2","2","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","","1.54178","CuKα","","0.0342","0.034","","","0.0939","0.0941","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549426","10.7657","0.0007","11.9402","0.0007","12.6973","0.0007","65.614","0.003","84.355","0.003","71.603","0.004","1409.62","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 Cl O -","- C40 H27 Cl O -","- C80 H54 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54178","CuKα","","0.1307","0.1049","","","0.3586","0.3667","","","","","","1.435","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549427","10.7377","0.0004","7.2096","0.0003","30.6438","0.001","90","","97.73","0.003","90","","2350.72","0.15","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O -","- C36 H24 O -","- C144 H96 O4 -","4","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.0739","0.0475","","","0.114","0.1294","","","","","","1.012","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549428","7.3515","0.0007","11.2839","0.0011","19.4024","0.0019","74.348","0.009","87.386","0.008","73.241","0.008","1483.1","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H28 Cl O -","- C42 H28 Cl O -","- C84 H56 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.1661","0.0854","","","0.212","0.273","","","","","","1.002","","","","has coordinates,has disorder","228647","2020-10-21","18:00:00",""
"1549429","16.4411","0.0018","8.849","0.001","18.948","0.002","90","","115.172","0.002","90","","2494.9","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 Br2 Cu N4 O4 -","- C58 H48 Br2 Cu N4 O4 -","- C116 H96 Br4 Cu2 N8 O8 -","2","0.5","","Tonge, Christopher M.; Sauvé, Ethan R.; Paisley, Nathan R.; Heyes, Jordan E.; Hudson, Zachary M.","Polymerization of acrylates based on n-type organic semiconductors using Cu(0)-RDRP","Polymer Chemistry","2018","9","24","3359","","10.1039/C8PY00670A","","x-ray","0.71073","MoKα","","0.0811","0.0585","","","0.1164","0.1264","","","","","","1.107","","","","has coordinates,has disorder","230950","2020-10-21","18:00:00",""
"1549430","7.628","0.0005","10.6903","0.0008","12.8641","0.0007","83.21","0.006","88.683","0.005","73.76","0.007","1000.03","0.12","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H15 B11 Br6 Si -","- C4 H15 B11 Br6 Si -","- C8 H30 B22 Br12 Si2 -","2","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.1348","0.1","","","0.2298","0.2554","","","","","","1.122","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549431","18.5845","0.0004","14.7047","0.0002","19.673","0.0003","90","","90","","90","","5376.23","0.16","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 B11 Br6 Si -","- C14 H19 B11 Br6 Si -","- C112 H152 B88 Br48 Si8 -","8","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0519","0.0368","","","0.0808","0.0881","","","","","","1.084","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549432","10.26054","0.00014","38.4104","0.0006","8.64061","0.00013","90","","100.552","0.0014","90","","3347.78","0.09","150","2","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H29 B11 Br6 Cl2 Si -","- C19 H29 B11 Br6 Cl2 Si -","- C76 H116 B44 Br24 Cl8 Si4 -","4","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0525","0.0517","","","0.1337","0.1345","","","","","","1.098","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549433","25.6568","0.0011","9.9841","0.0003","9.988","0.0004","90","","95.639","0.004","90","","2546.15","0.17","150","","150","","","","","","","","synthetic","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H12.5 Cl1.5 I N O -","- C8.5 H12.5 Cl1.5 I N O -","- C68 H100 Cl12 I8 N8 O8 -","8","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.5418","CuKα","","0.0428","0.0399","","0.1106","0.1071","0.1106","","","","","","0.9969","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549434","7.0213","0.0003","11.7894","0.0005","12.2156","0.0005","72.797","0.004","86.293","0.004","89.879","0.003","963.76","0.07","150","","150","","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C8 H12 Br N O2 -","- C8 H12 Br N O2 -","- C32 H48 Br4 N4 O8 -","4","2","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0378","0.0328","","0.0875","0.0824","0.0875","","","","","","1.008","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549435","14.727","0.0003","5.7756","0.0001","21.9219","0.0005","90","","92.4149","0.0018","90","","1862.96","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0408","0.0377","","0.0984","0.0948","0.0984","","","","","","0.9976","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549436","12.8692","0.0002","8.4534","0.0001","11.4743","0.0002","90","","99.0055","0.0015","90","","1232.88","0.03","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 I N O2 -","- C12 H12 I N O2 -","- C48 H48 I4 N4 O8 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0278","0.0274","","0.076","0.0756","0.076","","","","","","1.0008","","","","has coordinates","228830","2020-10-21","18:00:00",""
"1549437","5.602","0.0003","8.9978","0.0005","13.3874","0.0009","95.953","0.005","98.695","0.005","98.785","0.005","653.64","0.07","200","","200","","","","","","","","synthetic","4","P -1","-P 1","2","","","","- C13 H12 F3 I -","- C13 H12 F3 I -","- C26 H24 F6 I2 -","2","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0388","0.0358","","0.0992","0.0947","0.099","","","","","","0.9928","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549438","8.6189","0.0002","8.0477","0.0002","8.6853","0.0001","90","","101.24","0.002","90","","590.88","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Blue light-promoted photolysis of aryldiazoacetates.","Chemical science","2018","9","22","5112","5118","10.1039/c8sc01165f","","x-ray","1.54184","CuKα","","0.029","0.0283","","","0.0716","0.0719","","","","","","1.106","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549450","19.835","0.0005","19.835","0.0005","29.0373","0.0008","90","","90","","120","","9893.5","0.4","173","","173","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H24 Co N7 O9 -","- C12 H24 Co N7 O9 -","- C216 H432 Co18 N126 O162 -","18","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0515","0.0495","","0.1408","0.1386","0.1408","","","","","","1.008","","","","has coordinates,has disorder","228643","2020-10-21","18:00:00",""
"1549451","9.9394","0.0004","9.5494","0.0004","21.4604","0.0009","90","","90.9342","0.0013","90","","2036.65","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Br3 Co N5 -","- C14 H27 Br3 Co N5 -","- C56 H108 Br12 Co4 N20 -","4","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0341","0.0247","","0.0616","0.0584","0.0616","","","","","","1.0003","","","","has coordinates","228643","2020-10-21","18:00:00",""
"1549452","8.8034","0.0005","9.6631","0.0006","10.5046","0.0006","102.117","0.001","107.299","0.001","102.283","0.001","797.12","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","A-1F0","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0609","0.0466","","","0.1223","0.1328","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549453","7.6139","0.0006","10.1143","0.0008","12.847","0.001","95.814","0.002","92.348","0.002","93.463","0.002","981.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-2","","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0746","0.0538","","","0.1443","0.1567","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549454","22.741","","7.648","","35.273","","90","","96.81","","90","","6091.51","","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","A-8","","- C70 H82 F10 N2 O4 -","- C70 H82 F10 N2 O4 -","- C280 H328 F40 N8 O16 -","4","1","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54184","CuKα","","0.1071","0.0901","","","0.1722","0.1794","","","","","","1.159","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549455","12.392","0.0007","17.6527","0.0009","18.8864","0.001","95.161","0.003","103.759","0.003","106.881","0.003","3783.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-4","","- C54 H50 F4 N10 O2 -","- C40.5 H19.5 F7.5 N1.5 O3 -","- C162 H78 F30 N6 O12 -","4","2","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54178","CuKα","","0.3115","0.2346","","","0.5424","0.5936","","","","","","3.541","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549456","13.7644","0.0001","24.8987","0.0002","35.6022","0.0002","90","","90","","90","","12201.4","0.15","173.01","0.1","173.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C132 H112 Au6 B2 F8 N2 O P6 -","- C132 H112 Au6 B2 F8 N2 O P6 -","- C528 H448 Au24 B8 F32 N8 O4 P24 -","4","1","","Guo, Ping; Yang, Biao; Zhang, Li; Zhao, Liang","Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters.","Chemical science","2018","9","25","5614","5622","10.1039/c8sc00344k","","","1.54184","CuKα","","0.0629","0.0617","","","0.1598","0.1607","","","","","","1.064","","","","has coordinates,has disorder","228758","2020-10-21","18:00:00",""
"1549457","5.5798","0.0004","26.592","0.002","8.0005","0.0006","90","","108.656","0.0009","90","","1124.72","0.14","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0448","0.0403","","","0.1067","0.1106","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549458","16.348","0.008","6.781","0.003","10.091","0.005","90","","100.02","0.006","90","","1101.6","0.9","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0837","0.0711","","","0.1837","0.1989","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549459","10.7209","0.0005","13.1604","0.0006","8.2158","0.0004","90","","105.789","0.0005","90","","1115.44","0.09","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0539","0.047","","","0.125","0.1306","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549460","14.4406","0.0013","9.5463","0.0009","10.3489","0.0009","90","","98.2686","0.0011","90","","1411.8","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0403","","","0.1067","0.112","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549461","6.5568","0.0004","15.0022","0.001","11.4025","0.0007","90","","97.5881","0.0008","90","","1111.8","0.12","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.044","0.0396","","","0.1009","0.105","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549462","9.7545","0.0005","9.4518","0.0005","15.7484","0.0009","90","","103.855","0.001","90","","1409.72","0.13","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0497","0.0462","","","0.1203","0.1239","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549463","6.8954","0.0006","8.3622","0.0008","12.1458","0.0011","106.492","0.0011","92.7147","0.0011","108.899","0.001","627.79","0.1","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0393","","","0.0908","0.0954","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549464","10.3761","0.0013","10.82","0.0014","10.8988","0.0014","90","","90","","90","","1223.6","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0369","0.0329","","","0.0802","0.0827","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549469","44.7776","0.0058","44.7776","0.0058","7.6581","0.0039","90","","90","","90","","15355","8","298","","298","","","","1013","","","","","6","I 41 c d","I 4bw -2c","110","","","Zr-CAU-30","- C44 N4 Ni O22 P4 Zr2 -","- C44 N4 Ni O21.052 P4 Zr2 -","- C352 N32 Ni8 O168.416 P32 Zr16 -","8","0.5","","Rhauderwiek, Timo; Zhao, Haishuang; Hirschle, Patrick; Döblinger, Markus; Bueken, Bart; Reinsch, Helge; De Vos, Dirk; Wuttke, Stefan; Kolb, Ute; Stock, Norbert","Highly stable and porous porphyrin-based zirconium and hafnium phosphonates - electron crystallography as an important tool for structure elucidation.","Chemical science","2018","9","24","5467","5478","10.1039/c8sc01533c","","x-ray","1.54059","CuKα1","","","","","","","","","","","","","","","","","has coordinates","228631","2020-10-21","18:00:00",""
"1549471","11.785","0.003","19.051","0.005","19.029","0.005","90","","93.29","0.004","90","","4265.3","1.9","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B2 -","- C56 H56 B2 -","- C224 H224 B8 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.1521","0.0727","","","0.123","0.154","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549472","18.849","0.003","11.5959","0.0016","20.422","0.003","90","","106.914","0.0018","90","","4270.6","1.1","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 B2 N2 -","- C48 H54 B2 N2 -","- C192 H216 B8 N8 -","4","0.5","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0567","0.0512","","","0.1412","0.1471","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549473","21.407","0.003","13.6932","0.0018","23.988","0.003","90","","92.4764","0.0014","90","","7025","1.6","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C79 H83 B2 Cl4 K N O6 -","- C79 H83 B2 Cl4 K N O6 -","- C316 H332 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0538","0.0452","","","0.1119","0.1181","","","","","","1.023","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549474","15.4096","0.0014","23.693","0.002","19.0628","0.0017","90","","112.948","0.0011","90","","6409","1","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H78 B2 Cl4 K N O6 -","- C71 H78 B2 Cl4 K N O6 -","- C284 H312 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0805","0.0543","","","0.1549","0.1724","","","","","","1.074","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549475","12.8924","0.0006","13.4295","0.0006","13.7975","0.0006","110.488","0.004","112.313","0.004","100.712","0.004","1925.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[(Mes-BDIAl)HPd(PCy3)]2","","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","1","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","","0.71073","MoKα","","0.0434","0.035","","","0.0736","0.0775","","","","","","1.046","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549476","12.086","0.0004","22.1931","0.0007","12.9055","0.0004","90","","106.077","0.004","90","","3326.2","0.2","173","2","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipp-BDIAlH(o-tol)","","- C36 H48.9 Al Cl0.1 N2 -","- C36 H48.9 Al Cl0.1 N2 -","- C144 H195.6 Al4 Cl0.4 N8 -","4","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.087","0.0589","","","0.1387","0.154","","","","","","1.099","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549477","16.6858","0.0014","20.95","0.002","9.0089","0.0009","90","","90","","90","","3149.2","0.5","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipp-BDIAlH(Ph)","","- C35 H47 Al N2 -","- C35 H47 Al N2 -","- C140 H188 Al4 N8 -","4","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.0844","0.0479","","","0.1258","0.1371","","","","","","0.699","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549478","13.2046","0.0008","14.1589","0.0011","23.4405","0.0011","94.72","0.005","98.247","0.004","108.643","0.006","4071.1","0.5","173","2","173","0.14","","","","","","","","6","P -1","-P 1","2","","[Pd(PCy3)(Dipp-BDIAl)2]","","- C85 H136 Al2 N4 P Pd -","- C85 H136 Al2 N4 P Pd -","- C170 H272 Al4 N8 P2 Pd2 -","2","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.1093","0.0679","","","0.1424","0.1662","","","","","","1.044","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549481","7.2613","0.0002","7.6635","0.0003","13.5746","0.0005","95.988","0.003","98.931","0.003","90.085","0.003","742.04","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0267","0.0258","","","0.0684","0.069","","","","","","1.014","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549482","7.0836","0.0003","15.1242","0.0006","13.5688","0.0006","96.424","0.004","97.878","0.004","90.09","0.004","1430.7","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C52 H32 Fe2 N24 O4 Pd2 -","2","1","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0388","0.0331","","","0.0941","0.0993","","","","","","1.057","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549483","7.2772","0.0001","7.6432","0.0001","13.5928","0.0003","95.997","0.002","98.598","0.002","90.08","0.002","743.35","0.02","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pt(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0562","0.056","","","0.1544","0.1545","","","","","","1.083","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549484","10.302","0.004","10.479","0.004","12.612","0.004","72.875","0.006","70.7","0.006","76.245","0.006","1213.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Br Co N3 O4 -","- C24 H31 Br Co N3 O4 -","- C48 H62 Br2 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.0892","0.0663","","","0.182","0.1998","","","","","","1.054","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549485","11.724","0.019","14","0.02","15.95","0.03","66.86","0.02","76.56","0.03","68.44","0.03","2227","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co N6 O14 -","- C40 H34 Co N6 O14 -","- C80 H68 Co2 N12 O28 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.3224","0.1186","","","0.2708","0.379","","","","","","0.946","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549486","11.416","0.003","13.616","0.004","13.991","0.003","73.027","0.005","70.324","0.004","69.364","0.005","1879","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Co N3 O6 -","- C26 H25 Co N3 O4 -","- C52 H50 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.1068","0.0695","","","0.2061","0.2231","","","","","","1.198","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549487","11.93","0.009","14.213","0.011","17.277","0.013","98.862","0.012","101.804","0.013","112.978","0.012","2550","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Co N3 O11 -","- C46 H44 Co N3 O11 -","- C92 H88 Co2 N6 O22 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.2032","0.1128","","","0.3113","0.3833","","","","","","1.074","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549490","12.4209","0.0005","13.6925","0.0005","15.889","0.0006","81.806","0.003","74.263","0.003","87.206","0.003","2574.3","0.18","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H24 Cl8 N6 -","- C56 H24 Cl8 N6 -","- C112 H48 Cl16 N12 -","2","1","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","x-ray","1.54184","CuKα","","0.0517","0.0442","","","0.1151","0.1203","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549492","13.85","0.003","15.15","0.003","17.46","0.003","73.28","0.03","78.26","0.03","77.43","0.03","3385.5","1.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 Cl2 O6 -","- C76 H62 O6 -","- C152 H124 O12 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","","0.71073","MoKα","","0.0976","0.0755","","","0.2271","0.2456","","","","","","1.004","","","","has coordinates","228757","2020-10-21","18:00:00",""
"1549493","10.1039","0.0004","14.5087","0.0009","15.0844","0.0008","65.241","0.005","89.939","0.004","69.932","0.005","1859.5","0.2","99.97","0.1","99.97","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H46 N2 -","- C50 H46 N2 -","- C100 H92 N4 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","x-ray","1.54178","CuKα","","0.0463","0.0379","","","0.1066","0.1143","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549497","21.3348","0.0009","5.9392","0.0002","23.3779","0.001","90","","102.485","0.004","90","","2892.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ONdP(BC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.1587","0.1496","","","0.3314","0.3358","","","","","","1.062","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549498","23.584","0.004","6.0025","0.0007","21.526","0.003","90","","102.573","0.014","90","","2974.2","0.8","272","4","272","4","","","","","","","","5","C 1 c 1","C -2yc","9","","ONdP(GC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.0966","0.0872","","","0.2447","0.2916","","","","","","1.372","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549501","12.2471","0.0003","18.3327","0.0005","17.6262","0.0005","90","","95.002","0.002","90","","3942.41","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C70 H95 Fe2 N17 O23 -","- C70 H95 Fe2 N17 O23 -","- C140 H190 Fe4 N34 O46 -","2","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.067","0.054","","","0.1557","0.166","","","","","","1.035","","","","has coordinates,has disorder","228708","2020-10-21","18:00:00",""
"1549502","11.359","0.0005","11.8525","0.0005","13.7993","0.0006","68.492","0.004","83.722","0.004","66.929","0.004","1588.95","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","1","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","1.54184","CuKα","","0.0528","0.0504","","","0.1494","0.1527","","","","","","1.071","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549503","11.8093","0.0012","19.833","0.002","18.2984","0.0017","90","","93.921","0.003","90","","4275.7","0.7","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Co N11 O11 -","- C38 H51 Co N11 O11 -","- C152 H204 Co4 N44 O44 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0703","0.043","","","0.0955","0.1062","","","","","","1.029","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549504","11.1043","0.0003","17.4254","0.0004","19.3342","0.0004","90","","90","","90","","3741.11","0.15","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N7 O5 Zn -","- C36 H51 N7 O5 Zn -","- C144 H204 N28 O20 Zn4 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0273","0.0244","","","0.0579","0.0588","","","","","","1.072","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549505","11.0981","0.0003","17.442","0.0004","19.3054","0.0004","90","","90","","90","","3737.01","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Fe N7 O5 -","- C36 H51 Fe N7 O5 -","- C144 H204 Fe4 N28 O20 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0263","0.0248","","","0.0592","0.06","","","","","","1.042","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549506","10.2415","0.0004","11.6883","0.0004","18.9061","0.0007","97.1912","0.0011","96.6555","0.0011","104.782","0.0011","2145.12","0.14","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Mn N9 O11 -","- C34 H45 Mn N9 O11 -","- C68 H90 Mn2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0469","0.0371","","","0.0941","0.0995","","","","","","1.023","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549507","10.1375","0.0008","11.6574","0.0009","19.0003","0.0015","97.688","0.002","96.622","0.002","103.818","0.002","2135.4","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N10 O12 Zn -","- C38 H54 N10 O12 Zn -","- C76 H108 N20 O24 Zn2 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0523","0.0498","","","0.1302","0.1318","","","","","","1.053","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549508","10.2617","0.0002","11.3806","0.0002","19.5188","0.0004","105.524","0.002","98.363","0.002","94.721","0.002","2155.33","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H48 Co N10 O5 -","- C39 H48 Co N10 O5 -","- C78 H96 Co2 N20 O10 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0334","0.0297","","","0.078","0.0797","","","","","","1.055","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549509","10.2009","0.0003","11.6975","0.0003","18.9343","0.0005","97.4707","0.0009","96.4933","0.0009","104.418","0.0009","2144.57","0.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Fe N9 O11 -","- C34 H45 Fe N9 O11 -","- C68 H90 Fe2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0531","0.0374","","","0.0875","0.0933","","","","","","1.028","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549510","9.2297","0.0004","10.6903","0.0004","27.8883","0.0012","90","","91.6399","0.0018","90","","2750.6","0.2","123","","123","","","","","","","","R. Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0405","0.0361","","0.0785","0.0778","0.0785","","","","","","0.9187","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549511","8.5388","0.0005","14.2697","0.0008","22.0284","0.0014","90","","94.249","0.003","90","","2676.7","0.3","123","","123","","","","","","","","Rajesh Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0412","0.0352","","0.0781","0.076","0.078","","","","","","0.9378","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549536","16.518","0.002","15.555","0.002","16.111","0.002","90","","104.402","0.003","90","","4009.4","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Co N2 O7 -","- C17 H19 Co N2 O7 -","- C136 H152 Co8 N16 O56 -","8","1","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71076","MoKα","","0.0775","0.0562","","","0.1538","0.1775","","","","","","1.045","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549537","16.418","0.003","15.589","0.003","16.101","0.003","90","","103.863","0.004","90","","4000.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 Co2 N5 O15 -","- C37 H45 Co2 N5 O15 -","- C148 H180 Co8 N20 O60 -","4","0.5","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71073","MoKα","","0.069","0.0535","","","0.1603","0.1779","","","","","","1.043","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549538","10.0308","0.0012","12.6903","0.0016","19.943","0.002","90","","90","","90","","2538.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 B Br N O6 -","- C23 H33 B Br N O6 -","- C92 H132 B4 Br4 N4 O24 -","4","1","","Chen, Lili; Shen, Jun-Jian; Gao, Qian; Xu, Senmiao","Synthesis of cyclic chiral α-amino boronates by copper-catalyzed asymmetric dearomative borylation of indoles.","Chemical science","2018","9","26","5855","5859","10.1039/c8sc01815d","","","0.71073","MoKα","","0.0506","0.0408","","","0.104","0.1091","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549543","12.0014","0.0012","13.0411","0.0012","17.0476","0.0015","88.379","0.004","81.381","0.004","74.642","0.004","2543.6","0.4","173","2","173.01","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O4 -","- C60 H48 N4 O4 -","- C120 H96 N8 O8 -","2","1","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1954","0.099","","","0.2315","0.2991","","","","","","1.012","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549544","25.387","0.002","27.537","0.003","21.8595","0.0019","90","","90","","90","","15282","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H50 Cl2 N4 O4 S2 -","- C59 H50 Cl2 N4 O4 S2 -","- C708 H600 Cl24 N48 O48 S24 -","12","3","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1711","0.0873","","","0.1854","0.2351","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549545","4.9869","0.0002","11.7644","0.0005","22.1329","0.0008","90","","90","","90","","1298.49","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O5 S -","- C13 H13 N O5 S -","- C52 H52 N4 O20 S4 -","4","1","","Aujard-Catot, Julien; Nguyen, Michel; Bijani, Christian; Pratviel, Geneviève; Bonduelle, Colin","Cd2+ coordination: an efficient structuring switch for polypeptide polymers","Polymer Chemistry","2018","9","30","4100","","10.1039/C8PY00810H","","x-ray","0.71073","MoKα","","0.028","0.0248","","","0.0683","0.0696","","","","","","1.128","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549555","9.1363","0.0001","13.549","0.0001","15.3864","0.0002","90","","90","","90","","1904.65","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O3 S -","- C19 H22 F3 N O3 S -","- C76 H88 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0453","0.0442","","","0.1242","0.1257","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549556","8.5712","0.0003","9.5542","0.0003","12.0362","0.0004","91.908","0.003","103.104","0.003","97.556","0.003","949.62","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0472","0.0447","","","0.118","0.1206","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549557","8.0524","0.0006","10.279","0.0006","21.1646","0.0013","90","","90","","90","","1751.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O3 S -","- C17 H18 F3 N O3 S -","- C68 H72 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","x-ray","0.71073","MoKα","","0.0594","0.0468","","","0.0924","0.0982","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549558","8.5335","0.0006","8.9158","0.0006","15.6189","0.001","94.244","0.002","92.845","0.002","113.418","0.0019","1083.39","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 I2 In N O6 -","- C17 H20 I2 In N O6 -","- C34 H40 I4 In2 N2 O12 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0423","","","","0.1112","","","","","","1.447","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549559","7.2953","0.0003","10.6797","0.0009","10.9105","0.0008","71.041","0.007","73.634","0.006","78.807","0.006","766.42","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 I3 In O2 -","- C10 H8 I3 In O2 -","- C20 H16 I6 In2 O4 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","1.54184","CuKα","","","0.0491","","","","0.0805","","","","","","1.012","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549560","3.8763","0.0005","12.0424","0.0019","26.146","0.004","90","","90","","90","","1220.5","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cl O3 -","- C16 H9 Cl O3 -","- C64 H36 Cl4 O12 -","4","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0661","","","","0.1165","","","","","","0.99","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549561","8.749","0.0006","9.0176","0.0006","12.167","0.0008","92.712","0.0016","100.266","0.0015","92.8365","0.0016","941.85","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 I N O4 -","- C9 H4 I N O4 -","- C36 H16 I4 N4 O16 -","4","2","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0584","","","","0.0953","","","","","","0.995","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549564","15.5646","0.0019","7.8895","0.0009","15.9608","0.0017","90","","90","","90","","1959.9","0.4","130","2","130","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Compound 6","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","0.5","","Walther, Patrick; Frey, Wolfgang; Naumann, Stefan","Polarized olefins as enabling (co)catalysts for the polymerization of γ-butyrolactone","Polymer Chemistry","2018","9","26","3674","","10.1039/C8PY00784E","","","0.71073","MoKα","","0.083","0.0551","","","0.1529","0.1664","","","","","","1.044","","","","has coordinates,has disorder","230961","2020-10-21","18:00:00",""
"1549565","11.60758","0.00019","16.9798","0.0003","22.4892","0.0004","90","","94.829","0.0015","90","","4416.76","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Cl4 Os P2 Si -","- C49 H46 Cl4 Os P2 Si -","- C196 H184 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0651","0.0431","","","0.0906","0.0972","","","","","","1.003","","","","has coordinates","228664","2020-10-21","18:00:00",""
"1549566","13.9889","0.0002","16.453","0.0002","21.3301","0.0003","90","","97.273","0.001","90","","4869.82","0.11","100","0.1","100","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C53 H48 Cl4 Os P2 Si -","- C53 H48 Cl4 Os P2 Si -","- C212 H192 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0284","0.0276","","","0.0695","0.07","","","","","","1.034","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549567","11.4227","0.0002","17.2735","0.0003","13.9125","0.0003","90","","102.838","0.0019","90","","2676.46","0.09","100.01","0.1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H52 Cl8 Os P2 Si -","- C55 H52 Cl8 Os P2 Si -","- C110 H104 Cl16 Os2 P4 Si2 -","2","0.5","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","","1.54184","CuKα","","0.0466","0.0424","","","0.1003","0.1023","","","","","","1.077","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549568","14.2067","0.0006","15.9799","0.0008","18.6556","0.001","90","","94.05","0.002","90","","4224.6","0.4","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 As Cl F6 N9 O6 S2 -","- C34 H36 As Cl F6 N8 O6 S2 -","- C136 H144 As4 Cl4 F24 N32 O24 S8 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.1031","0.0512","","","0.1096","0.1381","","","","","","1.09","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549569","14.0065","0.0003","15.9167","0.0003","21.8331","0.0005","90","","107.966","0.0013","90","","4630.08","0.17","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino arsenic tristriflate","","- C37 H39 As F9 N9 O9 S3 -","- C37 H39 As F9 N9 O9 S3 -","- C148 H156 As4 F36 N36 O36 S12 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","1.54178","CuKα","","0.0989","0.0898","","","0.2548","0.2635","","","","","","1.057","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549570","13.0553","0.0005","25.1646","0.0012","14.6359","0.0006","90","","114.619","0.0015","90","","4371.2","0.3","140","","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19.5 N7.5 P -","- C25 H19.5 N7.5 P -","- C200 H156 N60 P8 -","8","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0495","0.0385","","","0.0899","0.0988","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549571","13.753","0.007","14.06","0.007","14.321","0.007","109.504","0.013","98.444","0.013","111.998","0.009","2300","2","170","2","170.02","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 F11 N9 O9 P S3 -","- C37 H39 F11 N9 O9 P S3 -","- C74 H78 F22 N18 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","","0.2467","0.1889","","","0.5278","0.569","","","","","","1.083","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549572","13.1877","0.0006","13.3482","0.0007","13.4824","0.0007","79.6653","0.0007","63.0215","0.0006","84.7868","0.0007","2080.63","0.18","193","2","193.15","","","","","","","","","7","P -1","-P 1","2","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino antimony fluoride bis triflate","","- C36 H39 F7 N9 O6 S2 Sb -","- C36 H39 F7 N9 O6 S2 Sb -","- C72 H78 F14 N18 O12 S4 Sb2 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","K-L~3~","0.0586","0.0434","","","0.1033","0.1125","","","","","","1.039","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549573","10.8599","0.0007","10.9646","0.0008","20.3805","0.0014","81.217","0.002","83.234","0.002","89.295","0.002","2381.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 F9 N10 O9 P S3 -","- C39 H42 F9 N10 O9 P S3 -","- C78 H84 F18 N20 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.094","0.0539","","","0.1264","0.148","","","","","","1.0695","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549574","12.726","0.005","18.899","0.008","20.823","0.008","102.659","0.014","97.475","0.014","99.315","0.014","4750","3","150","","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C152 H162 F36 N38 O36 S12 Sb4 -","4","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0582","0.0368","","","0.0846","0.0993","","","","","","1.0632","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549575","22.679","0.007","10.176","0.003","21.562","0.006","90","","94.879","0.004","90","","4958","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 O2 -","- C27 H28 N4 O2 -","- C216 H224 N32 O16 -","8","1","","Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao","(Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins.","Chemical science","2018","9","28","6085","6090","10.1039/c8sc01882k","","","0.71073","MoKα","","0.0967","0.0444","","","0.0939","0.1222","","","","","","1.009","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549577","7.3405","0.0003","11.1063","0.0004","16.76","0.0007","83.668","0.002","77.493","0.002","78.301","0.002","1303.08","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 I4 N2 O -","- C23 H20 I4 N2 O -","- C46 H40 I8 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0745","0.0507","","","0.0977","0.1044","","","","","","1.155","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549578","7.28","0.0002","10.9585","0.0004","16.0936","0.0006","89.758","0.001","79.735","0.001","78.541","0.001","1237.53","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Br2 I2 N2 O -","- C23 H20 Br2 I2 N2 O -","- C46 H40 Br4 I4 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0473","0.0281","","","0.0546","0.0587","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549579","8.0582","0.0003","11.0044","0.0004","17.7067","0.0006","99.618","0.002","91.239","0.002","104.624","0.002","1494.58","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F7 I2 N3 O6 S2 -","- C24 H16 F7 I2 N3 O6 S2 -","- C48 H32 F14 I4 N6 O12 S4 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0477","0.0358","","","0.0836","0.0895","","","","","","1.058","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549580","22.337","0.002","12.7364","0.0013","10.9081","0.0011","90","","90","","90","","3103.3","0.5","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H16 F6 I2 N2 O6 S2 -","- C24 H16 F6 I2 N2 O6 S2 -","- C96 H64 F24 I8 N8 O24 S8 -","4","0.5","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0609","0.0383","","","0.0783","0.0868","","","","","","1.129","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549581","10.9739","0.0012","17.8839","0.0019","12.1266","0.0012","90","","102.951","0.003","90","","2319.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 F I2 N3 -","- C22 H16 Br2 F I2 N3 -","- C88 H64 Br8 F4 I8 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.061","0.0362","","","0.0739","0.0821","","","","","","1.085","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549582","17.086","0.003","18.092","0.003","13.3174","0.0018","90","","111.458","0.004","90","","3831.3","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F I4 N3 -","- C36 H44 F I4 N3 -","- C144 H176 F4 I16 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0684","0.0465","","","0.1124","0.1247","","","","","","1.149","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549583","9.1408","0.0003","18.1854","0.0006","13.7305","0.0005","90","","100.82","0.001","90","","2241.83","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 I2 N2 -","- C22 H16 Cl2 I2 N2 -","- C88 H64 Cl8 I8 N8 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0398","0.0272","","","0.0591","0.0634","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549591","10.664","0.003","10.372","0.002","14.789","0.004","90","","104.778","0.006","90","","1581.7","0.7","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","ethyl (R)-6-methoxy-2-oxo-4-(1-tosyl-1H-indol-2-yl)-3,4-dihydro-2H-naphtho[2,1-e][1,3]oxazine-4-carboxylate","","","- C32 H27 Cl3 N2 O7 S -","- C32 H27 Cl3 N2 O7 S -","- C64 H54 Cl6 N4 O14 S2 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0361","0.0318","","","0.0794","0.0814","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549592","5.8577","0.0016","14.389","0.004","9.621","0.003","90","","94.654","0.006","90","","808.2","0.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methyl (S)-(1-(3-bromophenyl)-2-hydroxy-1-(5-methoxyfuran-2-yl)ethyl)carbamate","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C30 H32 Br2 N2 O10 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0297","0.0248","","","0.0504","0.0508","","","","","","0.826","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549593","11.4778","0.0015","13.6448","0.0018","36.849","0.005","90","","90","","90","","5771","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-3,3'-Di([1,1':3',1''-terphenyl]-5'-yl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diyl bis(dihydrogen phosphate) pyridinium salt","","","- C67 H60 Cl2 N2 O8 P2 -","- C67 H60 Cl2 N2 O8 P2 -","- C268 H240 Cl8 N8 O32 P8 -","4","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0494","0.0374","","","0.0884","0.0944","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549594","12.7831","0.0018","14.6459","0.0016","14.8","0.002","116.231","0.011","101.896","0.013","102.26","0.02","2282.2","0.7","93","2","93","2","","","","","","","","4","P -1","-P 1","2","2'-((Hydroxy(isopropoxy)phosphoryl)oxy)-3-(2,4,6-tricyclohexylphenyl)-[1,1'-binaphthalen]-2-yl dihydrogen phosphate (R/S-Dimer)","","","- C47 H56 O8 P2 -","- C47 H56 O8 P2 -","- C94 H112 O16 P4 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0538","0.0477","","","0.1472","0.151","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549595","7.8572","0.0013","10.5461","0.0018","14.099","0.002","70.648","0.002","88.911","0.002","85.089","0.003","1098.2","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 F N2 O4 -","- C26 H27 F N2 O4 -","- C52 H54 F2 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0787","0.0527","","","0.1088","0.1202","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549596","7.945","0.003","10.546","0.003","14.045","0.004","70.523","0.004","88.065","0.004","83.805","0.005","1103","0.6","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C52 H56 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0906","0.0538","","","0.1188","0.136","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549597","7.6953","0.0009","15.2435","0.0018","18.799","0.002","90","","97.426","0.002","90","","2186.7","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.067","0.045","","","0.0977","0.1057","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549610","13.0333","0.0006","16.6343","0.0007","19.8726","0.0009","90","","96.392","0.002","90","","4281.6","0.3","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-nickel(II)","","- C51 H59 N2 Ni S -","- C51 H59 N2 Ni S -","- C204 H236 N8 Ni4 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0448","0.0328","","","0.0729","0.0777","","","","","","1.013","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549611","12.686","0.003","19.394","0.005","30.321","0.008","88.294","0.005","80.235","0.005","81.137","0.005","7264","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-nickel(II)","","- C55.66667 H72 N2 Ni S -","- C55.6667 H72 N2 Ni S -","- C334 H432 N12 Ni6 S6 -","6","3","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1841","0.0698","","","0.0944","0.1236","","","","","","0.963","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549612","18.558","0.0009","16.822","0.0008","19.0552","0.001","90","","96.441","0.003","90","","5911.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C102 H172 K2 N4 Ni2 O12 S2 -","- C102 H154 K2 N4 Ni2 O12 S2 -","- C204 H308 K4 N8 Ni4 O24 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1786","0.0845","","","0.2132","0.2636","","","","","","1.012","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549613","12.7125","0.0006","22.4934","0.0011","20.0532","0.0012","90","","102.126","0.004","90","","5606.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-nickel(II)-potassium","","- C53 H89 K N4 Ni O6 S -","- C53 H89 K N4 Ni O6 S -","- C212 H356 K4 N16 Ni4 O24 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1259","0.0601","","","0.1175","0.1404","","","","","","0.964","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549614","13.1937","0.0013","13.2978","0.0013","16.6951","0.0016","88.621","0.002","74.52","0.002","88.213","0.002","2821.1","0.5","108","2","108","2","","","","","","","","7","P -1","-P 1","2","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C56 H80 K N2 Ni O6 S -","- C56 H80 K N2 Ni O6 S -","- C112 H160 K2 N4 Ni2 O12 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0642","0.0397","","","0.1098","0.1304","","","","","","0.86","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549615","11.847","0.003","13.438","0.003","19.455","0.005","94.052","0.005","95.344","0.006","91.766","0.006","3073.9","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Thiohyponitrite-κ2-O,S)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C108.5 H175 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","1","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1868","0.0906","","","0.2564","0.3121","","","","","","1.017","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549619","6.8489","0.0002","15.7645","0.0005","19.4642","0.0005","90","","90","","90","","2101.54","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 I N2 O3 -","- C24 H23 I N2 O3 -","- C96 H92 I4 N8 O12 -","4","1","","Meazza, Marta; Kamlar, Martin; Jašíková, Lucie; Formánek, Bedřich; Mazzanti, Andrea; Roithová, Jana; Veselý, Jan; Rios, Ramon","Synergistic formal ring contraction for the enantioselective synthesis of spiropyrazolones.","Chemical science","2018","9","30","6368","6373","10.1039/c8sc00913a","","","0.71073","MoKα","","0.0313","0.027","","","0.0602","0.0617","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549620","19.1685","0.0005","5.7871","0.0003","14.8903","0.0003","90","","90","","90","","1651.78","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Li, Wei; Wollenburg, Marco; Glorius, Frank","Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones.","Chemical science","2018","9","29","6260","6263","10.1039/c8sc01869c","","","0.71073","MoKα","","0.0515","0.0445","","","0.0873","0.0915","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549621","9.3334","0.0015","19.56","0.003","13.636","0.002","90","","94.259","0.005","90","","2482.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0779","0.0465","","","0.1231","0.1448","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549622","13.3069","0.0005","18.6034","0.0009","27.4104","0.0012","90","","102.321","0.002","90","","6629.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 N10 O8 Zn -","- C66 H44 N10 O8 Zn -","- C264 H176 N40 O32 Zn4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","1.54178","CuKα","","0.0767","0.0625","","","0.1908","0.2004","","","","","","1.096","","","","has coordinates,has disorder","228626","2020-10-21","18:00:00",""
"1549623","10.4399","0.0014","11.3331","0.0015","13.2139","0.0018","100.001","0.002","99.774","0.002","99.056","0.002","1488.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N6 O7 Zn -","- C33 H22 N6 O7 Zn -","- C66 H44 N12 O14 Zn2 -","2","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0854","0.0506","","","0.1376","0.1717","","","","","","0.996","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549629","12.8973","0.0007","12.5342","0.0006","17.2106","0.0008","90","","98.668","0.002","90","","2750.4","0.2","100","2","100.04","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C48 H86 B Fe K2 N2 O6 P3 -","- C48 H86 B Fe K2 N2 O6 P3 -","- C96 H172 B2 Fe2 K4 N4 O12 P6 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0408","0.0315","","","0.0658","0.069","","","","","","1.021","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549630","11.3464","0.0004","35.5398","0.0014","15.8541","0.0006","90","","90.839","0.001","90","","6392.5","0.4","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H95 B Fe K N2 O10 P3 -","- C64 H95 B Fe K N2 O10 P3 -","- C256 H380 B4 Fe4 K4 N8 O40 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0593","0.0389","","","0.08","0.0872","","","","","","1.039","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549631","11.3085","0.0005","24.2407","0.0012","37.5101","0.0018","90","","90","","90","","10282.5","0.8","100","2","99.97","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H81 B Fe N3 P3 Si2 -","- C47 H81 B Fe N3 P3 Si2 -","- C376 H648 B8 Fe8 N24 P24 Si16 -","8","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0689","0.0567","","","0.1215","0.1258","","","","","","1.19","","","","has coordinates","228622","2020-10-21","18:00:00",""
"1549632","12.4653","0.0018","13.091","0.003","21.997","0.003","97.411","0.01","95.734","0.004","117.826","0.008","3095","1","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H85 B Fe K N2 O P3 Si -","- C49 H85 B Fe K N2 O P3 Si -","- C98 H170 B2 Fe2 K2 N4 O2 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0555","0.0397","","","0.0957","0.1014","","","","","","1.03","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549633","27.577","0.003","15.5573","0.0016","38.526","0.004","90","","100.863","0.001","90","","16232","3","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.22 H90.92 B2 F24 Fe N P3 -","- C79.215 H90.916 B2 F24 Fe N P3 -","- C633.72 H727.328 B16 F192 Fe8 N8 P24 -","8","2","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.1044","0.0748","","","0.1845","0.1984","","","","","","1.124","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549634","7.8295","0.0007","25.776","0.002","11.1821","0.0011","90","","128.014","0.003","90","","1778","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B10 N -","- C14 H21 B10 N -","- C56 H84 B40 N4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.1213","0.089","","","0.2349","0.2559","","","","","","1.053","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549635","11.4617","0.0004","7.484","0.0003","23.7344","0.0008","90","","96.0865","0.0014","90","","2024.45","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 Cl N O -","- C14 H24 B10 Cl N O -","- C56 H96 B40 Cl4 N4 O4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","1.54178","CuKα","","0.0664","0.0542","","","0.145","0.1569","","","","","","1.034","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549636","7.224","0.0003","24.584","0.0011","11.2382","0.0005","90","","90","","90","","1995.85","0.15","297","2","297","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C18 H22 B10 N -","- C18 H22 B10 N -","- C72 H88 B40 N4 -","4","0.5","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.0542","0.0496","","","0.139","0.1439","","","","","","1.054","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549640","10.118","0.001","14.0353","0.0014","28.194","0.003","90","","90","","90","","4003.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 Br N O3 -","- C49 H48 Br N O3 -","- C196 H192 Br4 N4 O12 -","4","1","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0714","0.0537","","","0.1295","0.1392","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549641","14.151","0.003","14.717","0.004","16.184","0.003","90","","111.316","0.006","90","","3139.9","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O4 -","- C35 H41 N2 O4 -","- C140 H164 N8 O16 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0722","0.0679","","","0.1771","0.1835","","","","","","0.951","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549642","11.571","0.003","25.09","0.006","11.915","0.004","90","","90","","90","","3459.1","1.7","106","2","106","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H43 N2 O6 S -","- C36 H43 N2 O6 S -","- C144 H172 N8 O24 S4 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.128","0.0701","","","0.1512","0.1747","","","","","","0.933","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549643","24.731","0.005","14.057","0.003","25.496","0.005","90","","112.797","0.004","90","","8171","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H132 Dy10 N32 O54 P4 -","- C138 H132 Dy10 N32 O54 P4 -","- C276 H264 Dy20 N64 O108 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.13","0.0935","","","0.2373","0.2675","","","","","","1.086","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549644","24.653","0.003","14.5645","0.0019","26.067","0.003","90","","112.969","0.003","90","","8617.5","1.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1733","0.1021","","","0.2161","0.2725","","","","","","1.004","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549645","24.6145","0.0016","14.5657","0.0011","26.0805","0.0018","90","","112.968","0.002","90","","8609.3","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1247","0.0832","","","0.1761","0.2017","","","","","","1.047","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549646","25.525","0.006","14.312","0.004","25.318","0.006","90","","111.413","0.005","90","","8611","4","373","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H112 Dy10 N32 O50 P4 -","- C134 H116 Dy10 N32 O50 P4 -","- C268 H232 Dy20 N64 O100 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.2614","0.1482","","","0.2886","0.3499","","","","","","1.042","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549647","26.7135","0.0007","26.7135","0.0007","71.325","0.004","90","","90","","120","","44079","3","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C1260 H1188 Cl54 Dy90 N288 O468 P36 -","9","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.0755","0.0617","","","0.1319","0.1459","","","","","","0.987","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549648","33.833","0.003","18.7022","0.0013","36.604","0.004","90","","111.908","0.0015","90","","21489","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C560 H960 Cu104 F48 N48 O64 P8 S96 -","8","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.2242","0.1473","","","0.3014","0.3241","","","","","","1.114","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549649","18.2449","0.0013","23.218","0.0015","23.3841","0.0017","90","","90","","90","","9905.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H120 Cu12 N6 O8 S13 -","- C70 H120 Cu12 N6 O8 S13 -","- C280 H480 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1096","0.0717","","","0.182","0.2124","","","","","","1.069","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549650","21.8103","0.0005","22.977","0.0006","22.0395","0.0006","90","","90","","90","","11044.8","0.5","100","2","100","2","","","","","","","","9","P n n a","-P 2a 2bc","52","","","","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C340 H408 Cl2.8 Cu49.2 F120 N24 O4 P4 S48 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0508","0.045","","","0.1084","0.1122","","","","","","1.099","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549651","17.6501","0.0006","19.8146","0.0006","32.8484","0.0011","86.5157","0.0009","89.7691","0.0009","75.775","0.0008","11114.5","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C350 H524 Cl4 Cu48 F24 N24 O2 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0893","0.0664","","","0.1885","0.2022","","","","","","1.107","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549652","17.7551","0.0015","19.6625","0.0017","32.767","0.003","85.8425","0.0017","85.698","0.0017","76.1094","0.0016","11055.9","1.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H128 Br Cu12 F6 N6 P S12 -","- C86 H128 Br Cu12 F6 N6 P S12 -","- C344 H512 Br4 Cu48 F24 N24 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.17","0.0806","","","0.2095","0.2652","","","","","","1.047","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549653","31.396","0.003","19.8294","0.0017","33.181","0.003","90","","97.8261","0.0017","90","","20465","3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C528 H936 Cl20 Cu96 F24 N48 O48 P4 S96 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1563","0.0997","","","0.2132","0.2334","","","","","","1.015","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549654","19.1023","0.0009","23.8001","0.0011","24.5421","0.0012","90","","90","","90","","11157.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C74 H128 Cu12 N6 O8 S13 -","- C74 H128 Cu12 N6 O8 S13 -","- C296 H512 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0592","0.049","","","0.1406","0.15","","","","","","1.043","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549655","10.175","0.002","16.218","0.003","16.588","0.003","84.402","0.006","81.108","0.007","76.3","0.007","2622.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Fe N5 O4 S2 -","- C52 H62 Fe N5 O4 S2 -","- C104 H124 Fe2 N10 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","x-ray","0.71073","MoKα","","0.1327","0.0961","","","0.2401","0.2653","","","","","","1.041","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549656","17.4061","0.0012","10.7648","0.0008","31.052","0.002","90","","91.3044","0.0009","90","","5816.8","0.7","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H87 Co N6 O4.5 S2 -","- C61.5 H87 Co N6 O4.875 S2 -","- C246 H348 Co4 N24 O19.5 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0888","0.0718","","","0.1912","0.2053","","","","","","1.046","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549657","16.1329","0.0011","27.6083","0.0019","13.2048","0.0009","90","","105.613","0.0008","90","","5664.4","0.7","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Ga N5 O6 S2 -","- C50 H72 Ga N5 O6 S2 -","- C200 H288 Ga4 N20 O24 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0762","0.0624","","","0.1769","0.1888","","","","","","1.051","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549658","18.006","0.002","18.271","0.002","18.568","0.002","110.972","0.0012","109.602","0.0013","95.477","0.0013","5209.6","1","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Co N5 O5 S2 -","- C56 H70 Co N5 O5 S2 -","- C224 H280 Co4 N20 O20 S8 -","4","2","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1096","0.079","","","0.2105","0.2437","","","","","","1.009","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549659","9.4615","0.0009","18.3994","0.0018","18.765","0.0019","107.605","0.0012","100.024","0.0012","93.8094","0.0012","3041.4","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H93 Fe N5 O6 S2 -","- C59 H93 Fe N5 O6 S2 -","- C118 H186 Fe2 N10 O12 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0995","0.0785","","","0.2149","0.2349","","","","","","1.032","","","","has coordinates,has disorder","301779","2025-08-18","16:07:24",""
"1549660","10.6709","0.0011","17.4933","0.0018","17.8715","0.0018","113.478","0.0012","98.8759","0.0012","91.3574","0.0013","3009.9","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Fe N6 O4 S2 -","- C60 H82 Fe N6 O4 S2 -","- C120 H164 Fe2 N12 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1044","0.0895","","","0.2428","0.2597","","","","","","1.036","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549663","9.3819","0.0002","10.3076","0.0002","10.6318","0.0003","90.7648","0.0007","114.212","0.0009","100.138","0.001","918.87","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","1","","Leitch, Jamie A.; Fuentes de Arriba, Angel L.; Tan, Joanne; Hoff, Oskar; Martínez, Carlos M; Dixon, Darren J.","Photocatalytic reverse polarity Povarov reaction.","Chemical science","2018","9","32","6653","6658","10.1039/c8sc01704b","","","0.71073","MoKα","","0.0449","0.0376","","0.0982","0.0923","0.0982","","","","","","1.0045","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549668","33.739","0.003","33.739","0.003","26.116","0.005","90","","90","","120","","25746","6","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C64 H48 Br2 N2 Ni -","- C64 H48 Br2 N2 Ni -","- C1152 H864 Br36 N36 Ni18 -","18","1","","Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle","Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization","Polymer Chemistry","2018","9","30","4143","","10.1039/C8PY00725J","","","0.71073","MoKα","","0.1487","0.0711","","","0.1487","0.1702","","","","","","1.036","","","","has coordinates,has disorder","230967","2020-10-21","18:00:00",""
"1549669","17.9769","0.0015","12.1378","0.0011","29.0552","0.0018","90","","116.588","0.004","90","","5669.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H54 Br2 Cl2 N2 Ni -","- C67 H54 Br2 Cl2 N2 Ni -","- C268 H216 Br8 Cl8 N8 Ni4 -","4","1","","Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle","Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization","Polymer Chemistry","2018","9","30","4143","","10.1039/C8PY00725J","","","0.71073","MoKα","","0.1038","0.045","","","0.0921","0.1073","","","","","","0.935","","","","has coordinates,has disorder","230967","2020-10-21","18:00:00",""
"1549671","15.9653","0.0003","17.691","0.0004","18.2258","0.0005","61.811","0.002","88.11","0.002","64.125","0.002","3983.8","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","1","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0496","0.0406","","","0.1124","0.1174","","","","","","1.032","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549672","18.5382","0.0015","25.36","0.0016","19.6509","0.0016","90","","116.08","0.01","90","","8297.8","1.3","97","","97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C152 H164 Cu4 O34 -","- C152 H164 Cu4 O34 -","- C304 H328 Cu8 O68 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0635","0.0468","","","0.1223","0.1301","","","","","","1.028","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549673","17.9146","0.0002","18.0902","0.0003","27.6891","0.0003","77.345","0.001","83.125","0.001","61.947","0.001","7725.35","0.19","92","","92","","","","","","","","","5","P -1","-P 1","2","","","","- C108.67 H59 N O24 Rh4 -","- C108.667 H59 N O24 Rh4 -","- C217.333 H118 N2 O48 Rh8 -","2","1","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0687","0.0568","","","0.1585","0.1693","","","","","","1.035","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549676","12.8157","0.0008","8.8179","0.0005","15.3168","0.0009","90","","106.818","0.002","90","","1656.88","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 N7 Ni O9 -","- C10 H24 N7 Ni O9 -","- C40 H96 N28 Ni4 O36 -","4","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0231","0.0206","","","0.0531","0.0543","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549677","7.371","0.005","8.496","0.004","9.08","0.005","89.163","0.003","76.951","0.005","81.894","0.004","548.3","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","1","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0408","0.0355","","","0.1008","0.118","","","","","","1.187","","","","has coordinates,has disorder","228807","2020-10-21","18:00:00",""
"1549678","7.4549","0.0013","9.0814","0.0016","16.935","0.003","88.505","0.007","81.132","0.007","76.008","0.007","1099.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 N9 Ni O15 -","- C10 H26 N9 Ni O15 -","- C20 H52 N18 Ni2 O30 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0549","0.0337","","","0.0878","0.1241","","","","","","1.1","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549679","7.59","0.06","8.72","0.07","15.75","0.12","83.72","0.09","81.37","0.09","80.39","0.11","1012","14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl N6 Ni O4 S2 -","- C12 H24 Cl N6 Ni O4 S2 -","- C24 H48 Cl2 N12 Ni2 O8 S4 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0983","0.0651","","","0.1423","0.1587","","","","","","1.017","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549682","13.2969","0.0004","22.3943","0.0005","25.1034","0.0006","90","","90","","90","","7475.2","0.3","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl9 N7 O8 -","- C72 H72 Cl9 N7 O8 -","- C288 H288 Cl36 N28 O32 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","","1.54178","CuKα","","0.0733","0.062","","","0.1603","0.1709","","","","","","1.033","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549683","9.7198","0.0006","18.6592","0.0011","14.0802","0.0012","90","","90.161","0.007","90","","2553.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl3 N8 O5 -","- C53 H53 Cl3 N8 O5 -","- C106 H106 Cl6 N16 O10 -","2","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0884","0.0614","","","0.1542","0.1719","","","","","","1.034","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549684","15.5782","0.0006","18.4753","0.0005","24.4315","0.0007","90","","91.976","0.003","90","","7027.5","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H87.5 N8 O11.75 -","- C72 H87.5 N8 O11.75 -","- C288 H350 N32 O47 -","4","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.1089","0.0579","","","0.1297","0.1572","","","","","","0.981","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549685","22.0413","0.0003","23.2593","0.0004","25.4959","0.0005","90","","90","","90","","13070.9","0.4","150.02","0.1","150.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.79 H77.17 N7 O10.4 -","- C70.7915 H77.375 N7 O10.396 -","- C566.332 H619 N56 O83.168 -","8","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1617","0.1757","","","","","","1.015","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549686","10.5967","0.0004","21.5835","0.0008","28.6986","0.0006","90","","90","","90","","6563.8","0.4","150.06","0.1","150.06","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.57 H83.27 N7 O9.57 -","- C70.568 H83.272 N7 O9.568 -","- C282.272 H333.088 N28 O38.272 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0806","0.0687","","","0.1928","0.2035","","","","","","1.061","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549705","13.2989","0.0003","13.2989","0.0003","17.4417","0.0006","90","","90","","90","","3084.75","0.14","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H60 B F24 Fe P4 -","- C52 H60 B F24 Fe P4 -","- C104 H120 B2 F48 Fe2 P8 -","2","0.25","","Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E.","Reversible coordination of N<sub>2</sub> and H<sub>2</sub> to a homoleptic <i>S</i> = 1/2 Fe(i) diphosphine complex in solution and the solid state.","Chemical science","2018","9","37","7362","7369","10.1039/c8sc01841c","","","0.71073","MoKα","","0.0596","0.0466","","","0.0997","0.1067","","","","","","1.042","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549706","11.268","0.002","16.335","0.003","9.5163","0.0019","90","","114.91","0.03","90","","1588.6","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lv, Honggui; Xiao, Li-Jun; Zhao, Dongbing; Zhou, Qi-Lin","Nickel(0)-catalyzed linear-selective hydroarylation of unactivated alkenes and styrenes with aryl boronic acids.","Chemical science","2018","9","33","6839","6843","10.1039/c8sc02101e","","","0.71073","MoKα","","0.083","0.0568","","","0.1233","0.1393","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549707","12.7848","0.0008","13.0223","0.0008","13.1304","0.0009","93.792","0.003","92.468","0.003","90.347","0.003","2179.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Fe(IV)-nitroxyl","[Fe(NO)(TAML)]-","","- C47 H52 Fe N5 O6 P -","- C47 H52 Fe N5 O6 P -","- C94 H104 Fe2 N10 O12 P2 -","2","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.0423","0.0348","","","0.0874","0.0938","","","","","","1.027","","","","has coordinates","228847","2020-10-21","18:00:00",""
"1549708","18.404","0.004","18.521","0.004","17.725","0.003","90","","102.745","0.003","90","","5893","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(III)(NO2)(TAML)","Fe(III)-nitrito","","- C51 H94 Fe N7 O6 -","- C51 H94 Fe N7 O6 -","- C204 H376 Fe4 N28 O24 -","4","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.1091","0.0819","","","0.2515","0.2745","","","","","","1.063","","","","has coordinates,has disorder","228847","2020-10-21","18:00:00",""
"1549709","11.0216","0.0004","14.4762","0.0005","14.5765","0.0006","83.804","0.001","85.851","0.001","69.748","0.001","2167.64","0.14","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 F12 N7 P2 Ru -","- C39 H33 F12 N7 P2 Ru -","- C78 H66 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0305","0.0298","","","0.0806","0.0813","","","","","","1.028","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549710","11.9502","0.0004","13.3979","0.0004","13.5014","0.0004","82.904","0.001","83.437","0.001","79.213","0.001","2097.98","0.11","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 F12 N7 P2 Ru -","- C39 H29 F12 N7 P2 Ru -","- C78 H58 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.05","0.0473","","","0.1275","0.1296","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549711","18.547","0.0004","23.5958","0.0006","17.833","0.0004","90","","119.975","0.001","90","","6760.4","0.3","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H25 F3 N4 O2 P0.5 Ru -","- C30 H25 F3 N4 O2 P0.5 Ru -","- C240 H200 F24 N32 O16 P4 Ru8 -","8","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0456","0.0402","","","0.0983","0.102","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549716","20.7206","0.0004","9.8606","0.0002","6.3486","0.0001","90","","90","","90","","1297.13","0.04","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","","Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J.","Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles.","Chemical science","2018","9","34","6969","6974","10.1039/c8sc01804a","","","1.54184","CuKα","","0.0378","0.0372","","0.1075","0.1067","0.1075","","","","","","0.9904","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549723","14.3151","0.0003","6.8774","0.0001","23.4347","0.0005","90","","106.959","0.0007","90","","2206.84","0.07","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl4 Rh -","- C24 H19 Cl4 Rh -","- C96 H76 Cl16 Rh4 -","4","1","","Yang, Junfeng; Shen, Yixiao; Lim, Yang Jie; Yoshikai, Naohiko","Divergent ring-opening coupling between cyclopropanols and alkynes under cobalt catalysis.","Chemical science","2018","9","34","6928","6934","10.1039/c8sc02074d","","","0.71073","MoKα","","0.0387","0.0292","","","0.0611","0.066","","","","","","1.043","","","","has coordinates","228848","2020-10-21","18:00:00",""
"1549724","12.069","0.0005","30.5791","0.0011","36.076","0.002","90","","90","","90","","13314.2","1","150.02","0.1","150.02","0.1","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C15 H9 F7.05 -","- C15 H9 F7.0485 -","- C600 H360 F281.94 -","40","5","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.2122","0.1041","","","0.2713","0.3542","","","","","","1.035","","","","has coordinates,has disorder","228839","2020-10-21","18:00:00",""
"1549725","13.442","0.002","13.4424","0.0016","7.0546","0.001","90","","93.892","0.014","90","","1271.8","0.3","149.9","0.4","149.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F2 O2 -","- C15 H12 F2 O2 -","- C60 H48 F8 O8 -","4","1","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.1303","0.0661","","","0.1292","0.1633","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549726","8.4746","0.0007","9.5148","0.0007","45.506","0.003","90","","91.765","0.004","90","","3667.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Cl5 Cu N2 O6 S2 -","- C29 H39 Cl5 Cu N2 O6 S2 -","- C116 H156 Cl20 Cu4 N8 O24 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0865","0.0659","","","0.1682","0.188","","","","","","1.084","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549727","13.7982","0.0005","5.5253","0.0002","24.9052","0.0008","90","","103.39","0.002","90","","1847.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O2 S2 -","- C21 H20 O2 S2 -","- C84 H80 O8 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0654","0.0432","","","0.1213","0.1555","","","","","","1.124","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549730","32.7","0.018","10.89","0.006","30.813","0.017","90","","114.97","0.007","90","","9947","10","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H60 Cu9 N36 O6 S -","- C98 H60 Cu9 N36 O6 S -","- C392 H240 Cu36 N144 O24 S4 -","4","0.5","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","0.71073","MoKα","","0.1236","0.0696","","","0.1833","0.2138","","","","","","0.999","","","","has coordinates","228859","2020-10-21","18:00:00",""
"1549731","14.7327","0.0003","47.3434","0.0008","51.2702","0.0008","90","","97.581","0.002","90","","35448.2","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C294 H180 Cu27 N114 O4 S -","- C294 H180 Cu27 N114 O4 S -","- C1176 H720 Cu108 N456 O16 S4 -","4","1","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","1.54184","CuKα","","0.0942","0.0655","","","0.1286","0.1412","","","","","","1.023","","","","has coordinates,has disorder","228859","2020-10-21","18:00:00",""
"1549741","10.7394","0.0011","10.7693","0.001","12.2067","0.0012","90","","90","","90","","1411.8","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η8-cyclooctatetraenyl)-bis(acetonitrile)-erbium-iodide","","- C12 H14 Er I N2 -","- C12 H14 Er I N2 -","- C48 H56 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0261","0.0223","","","0.0368","0.0378","","","","","","0.945","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549742","8.4793","0.0007","9.3962","0.0007","22.2154","0.0017","90","","97.496","0.004","90","","1754.8","0.2","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(tetrahydrofuran)-erbium-iodide","","- C16 H24 Er I O2 -","- C16 H24 Er I O2 -","- C64 H96 Er4 I4 O8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0387","0.03","","","0.0611","0.0653","","","","","","1.171","","","","has coordinates,has disorder","228837","2020-10-21","18:00:00",""
"1549743","10.818","0.0008","8.8916","0.0006","18.3519","0.0013","90","","96.53","0.002","90","","1753.8","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(pyridine)-erbium-iodide","","- C18 H18 Er I N2 -","- C18 H18 Er I N2 -","- C72 H72 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0171","0.0149","","","0.0363","0.0376","","","","","","1.08","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549744","8.2903","0.0012","31.84","0.005","10.584","0.003","90","","102.02","0.007","90","","2732.5","1","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η8-cyclooctatetraenyl)-tris(3,5-dimethyl-1-pyrazolyl)borate erbium","","- C27 H38 B Er N6 O -","- C27 H38 B Er N6 O -","- C108 H152 B4 Er4 N24 O4 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0475","0.0318","","","0.0513","0.058","","","","","","1.098","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549745","13.0203","0.0007","10.3915","0.0006","12.893","0.0007","90","","103.151","0.002","90","","1698.68","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F3 N2 O2 -","- C16 H21 F3 N2 O2 -","- C64 H84 F12 N8 O8 -","4","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0585","0.0534","","","0.1463","0.15","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549746","11.8915","0.0004","14.4371","0.0005","15.9414","0.0006","84.9399","0.0013","77.9747","0.0013","68.7283","0.0013","2494.14","0.15","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C72.5 H129 Cl9 F8 N4 O16 Pd6 -","2","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0397","0.0322","","","0.0776","0.0816","","","","","","1.024","","","","has coordinates","228700","2020-10-21","18:00:00",""
"1549747","13.2478","0.0002","19.4015","0.0002","20.3563","0.0003","115.227","0.0006","91.1995","0.0005","105.389","0.0005","4509.24","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35 Cl3 F20 N P Pd -","- C38 H35 Cl3 F20 N P Pd -","- C152 H140 Cl12 F80 N4 P4 Pd4 -","4","2","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","0.71073","MoKα","","0.0811","0.0544","","","0.1196","0.1356","","","","","","1.04","","","","has coordinates,has disorder","228700","2020-10-21","18:00:00",""
"1549751","30.4136","0.0013","11.7318","0.0005","20.6258","0.0015","90","","129.575","0.009","90","","5672.6","0.9","373","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C112 Al8 Cl24 F224 Li8 N8 O24 -","4","0.5","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0841","0.0651","","","0.1807","0.1964","","","","","","1.092","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549752","10.6841","0.0002","18.2966","0.0003","22.3798","0.0003","90","","94.822","0.001","90","","4359.38","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 Al2 F55 N O7 -","- C24 Al2 F55 N O7 -","- C96 Al8 F220 N4 O28 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0726","0.0489","","","0.1079","0.1202","","","","","","1.039","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549753","13.1028","0.0012","29.39","0.003","14.129","0.0012","90","","99.674","0.004","90","","5363.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H8 Ag Al2 F59 O6 -","- C36 H8 Ag1.0019 Al2 F59 O6 -","- C144 H32 Ag4.0076 Al8 F236 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0782","0.0633","","","0.1652","0.1793","","","","","","0.994","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549754","15.4856","0.0004","17.6866","0.0005","22.5679","0.0006","76.093","0.001","84.023","0.001","81.617","0.001","5920.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H12 Ag Al2 F61 O6 -","- C42 H12 Ag Al2 F61 O6 -","- C168 H48 Ag4 Al8 F244 O24 -","4","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0771","0.0555","","","0.1448","0.1604","","","","","","1.047","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549755","10.8066","0.0003","13.958","0.0004","17.2977","0.0005","90","","90.19","0.002","90","","2609.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Al F27 O6 -","- C15 H6 Al F27 O6 -","- C60 H24 Al4 F108 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0721","0.0429","","","0.0991","0.1161","","","","","","0.931","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549756","14.1565","0.0005","18.4564","0.0006","14.651","0.0005","90","","91.2","0.002","90","","3827.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H8 Ag Al F40 O4 -","- C28 H8 Ag Al F40 O4 -","- C112 H32 Ag4 Al4 F160 O16 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0685","0.0446","","","0.1066","0.1172","","","","","","1.029","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549757","10.2659","0.0002","17.4605","0.0004","20.9905","0.0005","90","","99.098","0.001","90","","3715.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H12 Ag Al F34 O3 -","- C30.006 H12.004 Ag Al F34.002 O3 -","- C120.024 H48.016 Ag4 Al4 F136.008 O12 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0324","0.0276","","","0.0674","0.0704","","","","","","1.022","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549758","15.476","0.0018","16.615","0.002","18.2967","0.0019","89.488","0.004","67.742","0.004","70.537","0.004","4068.1","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C100 H116 Ag2 Al4 Br4 Cl8 F110 O12 Si4 -","2","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0327","0.0272","","","0.0665","0.0693","","","","","","1.029","","","","has coordinates","228840","2020-10-21","18:00:00",""
"1549759","35.9221","0.0016","10.7468","0.0005","19.3985","0.0009","90","","102.381","0.002","90","","7314.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Al F28 Li O12 -","- C21 H18 Al F28 Li O12 -","- C168 H144 Al8 F224 Li8 O96 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0618","0.0449","","","0.1036","0.1132","","","","","","1.037","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549760","34.3712","0.001","10.6465","0.0003","13.7845","0.0004","90","","100.452","0.001","90","","4960.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Ag B F22 O2 -","- C20 H10 Ag B F22 O2 -","- C160 H80 Ag8 B8 F176 O16 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0306","0.0265","","","0.0568","0.0581","","","","","","1.141","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549761","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.25 H44.5 Cl0.5 N2 O9 -","- C48.25 H44.5 Cl0.5 N2 O9 -","- C386 H356 Cl4 N16 O72 -","8","4","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","228838","2020-10-21","18:00:00",""
"1549762","11.8363","0.0004","12.6884","0.0004","14.8869","0.0005","108.968","0.003","104.837","0.003","104.872","0.003","1897.35","0.14","180.05","0.1","180.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O6 -","- C48 H42 N2 O6 -","- C96 H84 N4 O12 -","2","1","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.045","0.0352","","","0.0888","0.0954","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549765","8.6842","0.001","18.1757","0.0018","8.5209","0.0008","90","","100.878","0.007","90","","1320.8","0.2","296","2","296","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Dibromo-bis(pyridine)-cobalt(II)","","- C10 H10 Br2 Co N2 -","- C10 H10 Br2 Co N2 -","- C40 H40 Br8 Co4 N8 -","4","1","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1847","0.1064","","","0.0813","0.0925","","","","","","1.25","","","","has coordinates","228836","2020-10-21","18:00:00",""
"1549766","9.1275","0.0007","12.1835","0.0008","14.8264","0.001","90","","95.764","0.007","90","","1640.4","0.2","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Dibromo-bis(4-vinylpyridine)-cobalt(II)","","- C14 H14 Br2 Co N2 -","- C14 H14 Br2 Co N2 -","- C56 H56 Br8 Co4 N8 -","4","0.5","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1037","0.0515","","","0.0649","0.075","","","","","","1.107","","","","has coordinates,has disorder","228836","2020-10-21","18:00:00",""
"1549767","12.8319","0.0007","18.8787","0.0012","9.3269","0.0005","90","","90","","90","","2259.4","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 P Si2 Tb -","- C20 H32 P Si2 Tb -","- C80 H128 P4 Si8 Tb4 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0638","0.0301","","","0.0465","0.0587","","","","","","1.082","","","","has coordinates","276399","2022-06-29","09:43:57",""
"1549768","15.1266","0.0006","10.815","0.0004","14.256","0.0008","90","","95.164","0.004","90","","2322.73","0.18","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Er P Si2 -","- C20 H32 Er P Si2 -","- C80 H128 Er4 P4 Si8 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0626","0.0356","","","0.0573","0.0691","","","","","","1.091","","","","has coordinates,has disorder","276399","2022-06-29","09:44:12",""
"1549769","12.8248","0.0007","18.9114","0.0012","9.3047","0.0004","90","","90","","90","","2256.7","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Dy P Si2 -","- C20 H32 Dy P Si2 -","- C80 H128 Dy4 P4 Si8 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0709","0.0324","","","0.048","0.0612","","","","","","1.076","","","","has coordinates","276399","2022-06-29","09:44:16",""
"1549770","15.0719","0.0008","10.8053","0.0006","14.3183","0.0009","90","","95.125","0.005","90","","2322.5","0.2","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Tm -","- C20 H32 P Si2 Tm -","- C80 H128 P4 Si8 Tm4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0775","0.04","","","0.0594","0.0723","","","","","","1.045","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549771","15.2388","0.0007","10.8568","0.0005","14.217","0.0008","90","","95.18","0.004","90","","2342.5","0.2","179.9","0.3","179.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Y -","- C20 H32 P Si2 Y -","- C80 H128 P4 Si8 Y4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","x-ray","0.71","MoKα","","0.0625","0.0395","","","0.068","0.073","","","","","","1.018","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549775","18.7793","0.0002","7.4521","0.0001","50.3987","0.0006","90","","90","","90","","7053.06","0.15","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","compound 8","","- C25 H15 N S2 -","- C25 H15 N S2 -","- C400 H240 N16 S32 -","16","2","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0419","0.041","","","0.0917","0.0921","","","","","","1.278","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549776","10.6434","0.0015","9.1028","0.0013","20.109","0.003","90","","102.565","0.015","90","","1901.6","0.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","compound 3ad","","- C29 H19 N -","- C29 H19 N -","- C116 H76 N4 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.1869","0.1013","","","0.248","0.328","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549777","16.1846","0.0006","27.2713","0.0009","7.6092","0.0003","90","","97.89","0.003","90","","3326.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 9","","- C41 H27 N O S4 -","- C41 H27 N O S4 -","- C164 H108 N4 O4 S16 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0871","0.0653","","","0.2172","0.2336","","","","","","1.086","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549782","9.5765","0.0011","10.1909","0.0012","10.8774","0.0016","115.915","0.013","106.476","0.011","90.377","0.01","905.1","0.2","294.29","0.18","294.29","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 B N2 -","- C23 H19 B N2 -","- C46 H38 B2 N4 -","2","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.1046","0.0612","","","0.1567","0.1903","","","","","","1.0571","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549783","9.1839","0.0014","11.282","0.0014","14.148","0.003","90","","101.51","0.017","90","","1436.4","0.4","296.2","0.2","296.2","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 B F N2 -","- C17 H14 B F N2 -","- C68 H56 B4 F4 N8 -","4","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.0916","0.0502","","","0.0997","0.1224","","","","","","1.0223","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549784","13.89","0.002","14.796","0.002","16.218","0.002","96.6694","0.0014","96.2744","0.0014","112.822","0.0016","3007.7","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H22 Cl7 F20 N5 S3 -","- C59.5 H22 Cl7 F20 N5 S3 -","- C119 H44 Cl14 F40 N10 S6 -","2","1","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.0819","0.0621","","","0.1754","0.1921","","","","","","1.096","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549785","13.765","0.003","17.271","0.003","24.19","0.005","94.738","0.003","102.606","0.004","93.061","0.005","5577.9","1.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H20.5 Cl1.5 F20 N5 S3 -","- C65 H18 Cl1.5 F20 N5 S3 -","- C260 H72 Cl6 F80 N20 S12 -","4","2","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.1727","0.1121","","","0.3026","0.3578","","","","","","1.071","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549786","10.3182","0.0003","12.47104","0.00019","12.8143","0.0003","82.2874","0.0017","68.197","0.003","79.3609","0.0017","1500.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N5 O5 U -","- C32 H33 N5 O5 U -","- C64 H66 N10 O10 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0257","0.0256","","","0.0673","0.0674","","","","","","1.148","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549787","46.746","0.005","13.2744","0.0003","24.296","0.003","90","","145.84","0.03","90","","8465","7","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 Fe N10 O10 U2 -","- C64 H64 Fe N10 O10 U2 -","- C256 H256 Fe4 N40 O40 U8 -","4","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0192","0.0182","","","0.048","0.0484","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549788","14.3842","0.0006","14.1543","0.0008","16.8027","0.0007","90","","93.045","0.004","90","","3416.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 I2 N11 O6 U2 -","- C69 H69 I2 N11 O6 U2 -","- C138 H138 I4 N22 O12 U4 -","2","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.09","0.0977","","","","","","1.079","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549789","12.542","0.006","13.779","0.01","23.86","0.03","81.55","0.06","78.59","0.05","86.58","0.04","3996","6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H99 K2 N8 O17 U -","- C63 H99 K2 N8 O17 U -","- C126 H198 K4 N16 O34 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.1506","0.1088","","","0.2739","0.3156","","","","","","1.111","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549790","13.7743","0.0003","21.1783","0.0004","24.452","0.0005","99.7615","0.0017","95.7326","0.0016","98.8026","0.0016","6888.7","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C99 H99 Fe3 I2 N17 O10 U2 -","- C99 H99 Fe3 I2 N17 O10 U2 -","- C198 H198 Fe6 I4 N34 O20 U4 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0609","0.0558","","","0.1438","0.148","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549791","19.5691","0.0007","13.9341","0.0003","19.6431","0.0006","90","","118.26","0.004","90","","4717.8","0.3","139.99","0.13","139.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Fe N8 O5 U -","- C50 H54 Fe N8 O5 U -","- C200 H216 Fe4 N32 O20 U4 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0355","0.0326","","","0.0858","0.0893","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549792","15.964","0.002","23.884","0.003","20.0642","0.0009","90","","105.849","0.006","90","","7359.3","1.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 Fe I N11 O8 U2 -","- C69 H69 Fe I N11 O8 U2 -","- C276 H276 Fe4 I4 N44 O32 U8 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.0895","0.0584","","","0.1091","0.1217","","","","","","1.13","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549796","14.1097","0.0013","14.319","0.0013","14.2262","0.0013","90","","111.886","0.0014","90","","2667.1","0.4","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Mn2 N4 -","- C58 H84 Mn2 N4 -","- C116 H168 Mn4 N8 -","2","0.5","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.0648","0.0536","","","0.1381","0.1452","","","","","","1.066","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549797","12.443","0.006","13.455","0.006","22.132","0.01","90","","102.382","0.005","90","","3619","3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58 Mn N2 -","- C41 H58 Mn N2 -","- C164 H232 Mn4 N8 -","4","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.1106","0.0678","","","0.1721","0.2102","","","","","","1.032","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549798","42.348","0.014","11.696","0.004","18.645","0.006","90","","92.882","0.004","90","","9223","5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 F6 Fe N5 O6 S2 -","- C40 H33 F6 Fe N5 O6 S2 -","- C320 H264 F48 Fe8 N40 O48 S16 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","","0.7107","MoKα","","0.1524","0.1356","","","0.2786","0.2892","","","","","","1.189","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549799","18.9606","0.0003","18.7387","0.0003","34.1557","0.0006","90","","90","","90","","12135.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Cl6 Fe3 N11 -","- C64 H53 Cl6 Fe3 N11 -","- C512 H424 Cl48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0394","0.0328","","","0.0726","0.0758","","","","","","1.069","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549800","9.9553","0.0003","13.1814","0.0004","16.2767","0.0006","92.662","0.003","96.422","0.003","105.743","0.003","2036.29","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Fe(N2QuPy)(Br)](ClO4)","","- C33 H27 Br Cl7 Fe N5 O4 -","- C33 H27 Br Cl7 Fe N5 O4 -","- C66 H54 Br2 Cl14 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.113","0.0906","","","0.2574","0.2838","","","","","","1.06","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549801","9.68503","0.00017","9.74597","0.00018","20.3011","0.0003","92.2266","0.0014","101.563","0.0015","98.3455","0.0015","1852.88","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl8 Fe N5 O4 -","- C33 H27 Cl8 Fe N5 O4 -","- C66 H54 Cl16 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0504","0.0452","","","0.1213","0.1307","","","","","","1.034","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549802","19.0269","0.0004","18.8487","0.0004","35.2474","0.0006","90","","90","","90","","12640.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Br6 Fe3 N11 -","- C64 H53 Br6 Fe3 N11 -","- C512 H424 Br48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0703","0.076","","","","","","1.022","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549805","17.1715","0.0013","17.8894","0.0014","9.4518","0.0007","90","","101.309","0.003","90","","2847.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 F2 Sn -","- C32 H40 F2 Sn -","- C128 H160 F8 Sn4 -","4","1","","Ming, Jialin; Shi, Qi; Hayashi, Tamio","Addition of arylstannanes to alkynes giving <i>ortho</i>-alkenylarylstannanes catalysed cooperatively by a rhodium complex and zinc chloride.","Chemical science","2018","9","39","7700","7704","10.1039/c8sc02459f","","","0.71073","MoKα","","0.1468","0.0663","","","0.1362","0.1726","","","","","","1.014","","","","has coordinates","228702","2020-10-21","18:00:00",""
"1549806","14.0463","0.0002","17.6303","0.0003","16.8395","0.0003","90","","100.648","0.001","90","","4098.34","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C180 H136 B4 F60 Fe4 O4 -","2","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.1167","0.0814","","","0.1538","0.175","","","","","","1.133","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549807","13.8373","0.0003","14.8923","0.0003","15.4147","0.0003","63.462","0.001","80.689","0.001","88.721","0.002","2799.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0592","0.0483","","","0.1168","0.1238","","","","","","1.032","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549808","13.3556","0.0006","14.9486","0.0007","17.5414","0.0008","95.477","0.003","111.222","0.003","102.632","0.003","3126.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H25 B2 Cl4 F30 O2 -","- C69 H25 B2 Cl4 F30 O2 -","- C138 H50 B4 Cl8 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0935","0.0565","","","0.1381","0.1609","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549809","12.3256","0.0007","16.7558","0.0009","17.1303","0.0009","90.82","0.003","97.535","0.003","103.218","0.003","3410.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H29 B2 Cl6 F30 O2 -","- C72 H29 B2 Cl6 F30 O2 -","- C144 H58 B4 Cl12 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0496","0.0372","","","0.0885","0.0943","","","","","","1.052","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549810","12.6071","0.0003","13.6253","0.0004","20.3659","0.0006","90","","100.362","0.002","90","","3441.31","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H40 B2 Cl2 F30 Fe O2 -","- C71 H40 B2 Cl2 F30 Fe O2 -","- C142 H80 B4 Cl4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0681","0.0492","","","0.0911","0.0969","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549811","11.863","0.004","13.004","0.005","13.207","0.005","106.631","0.01","116.366","0.011","92.518","0.012","1714","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0519","0.0385","","","0.0886","0.0957","","","","","","1.029","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549812","13.3457","0.0003","14.575","0.0003","17.8933","0.0004","91.771","0.001","97.044","0.001","102.641","0.001","3364.49","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 B2 F30 Fe O2 -","- C68 H36 B2 F30 Fe O2 -","- C136 H72 B4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0657","0.0509","","","0.1064","0.1135","","","","","","1.022","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549813","26.8002","0.0008","12.9058","0.0004","27.8292","0.0008","90","","116.473","0.002","90","","8616.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C360 H272 B8 F120 Fe8 O8 -","4","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.1055","0.0599","","","0.1381","0.1646","","","","","","1.018","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549814","11.8064","0.0003","14.9813","0.0004","15.3306","0.0004","91.992","0.002","103.172","0.002","108.496","0.001","2487","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.095","0.0587","","","0.0948","0.1061","","","","","","1.077","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549815","13.791","0.0012","14.0959","0.0013","18.1102","0.0014","109.569","0.002","109.658","0.002","90.652","0.003","3093.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H19 B2 F30 O2 -","- C61 H19 B2 F30 O2 -","- C122 H38 B4 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.13","0.0601","","","0.1108","0.1307","","","","","","1.007","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549816","9.5809","0.0003","10.9166","0.0004","14.2783","0.0004","74.722","0.002","79.532","0.002","85.172","0.002","1415.59","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0664","0.0531","","","0.1174","0.1279","","","","","","1.053","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549817","3.7576","0.0005","14.428","0.0016","9.4611","0.0011","90","","100.599","0.012","90","","504.18","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C20 H16 N8 O2 -","2","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","","0.71073","MoKα","","0.1007","0.0715","","","0.2194","0.252","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549818","5.772","0.0004","9.9613","0.0006","10.8529","0.0008","87.644","0.005","77.477","0.006","89.901","0.005","608.63","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 N4 -","- C34 H22 N4 -","- C34 H22 N4 -","1","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","x-ray","1.54184","CuKα","","0.0411","0.0366","","","0.1045","0.1112","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549820","4.2503","0.0002","10.1169","0.0004","11.3784","0.0005","81.03","0.003","88.843","0.003","82.58","0.004","479.24","0.04","296","1","296","1","","","0","0.001","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0477","0.0493","","","","","","1.036","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549821","4.0958","0.0004","9.372","0.002","10.9859","0.0013","85.224","0.016","88.977","0.009","84.909","0.016","418.56","0.11","296","1","296","1","","","2320000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0587","0.0458","","","0.1096","0.1213","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549822","3.9623","0.0005","8.824","0.003","10.6104","0.0015","87.89","0.02","88.524","0.012","87.3","0.03","370.2","0.14","296","1","296","1","","","7160000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0817","0.0703","","","0.1792","0.1855","","","","","","1.172","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549823","4.0071","0.0003","9.009","0.002","10.7254","0.0009","87.042","0.013","88.693","0.007","86.485","0.014","385.87","0.1","296","1","296","1","","","5150000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0556","0.0463","","","0.117","0.1219","","","","","","1.086","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549824","4.1474","0.0003","9.5705","0.0019","11.1208","0.0009","84.163","0.012","88.992","0.007","84.152","0.014","436.83","0.1","296","1","296","1","","","1360000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.053","0.0404","","","0.0952","0.1022","","","","","","1.063","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549825","4.0175","0.0002","9.064","0.002","10.7655","0.0008","86.743","0.012","88.765","0.006","86.231","0.012","390.48","0.09","296","1","296","1","","","4650000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0639","0.0549","","","0.1292","0.1337","","","","","","1.144","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549826","4.0406","0.0003","9.151","0.002","10.8365","0.0011","86.375","0.015","88.849","0.007","85.829","0.014","398.78","0.1","296","1","296","1","","","3820000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0667","0.0544","","","0.1111","0.1207","","","","","","1.08","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549827","3.9759","0.0007","8.862","0.003","10.6257","0.0017","87.71","0.02","88.616","0.015","87.1","0.03","373.52","0.15","296","1","296","1","","","6670000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0723","0.0603","","","0.131","0.1395","","","","","","1.162","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549828","4.1864","0.0003","9.741","0.002","11.2181","0.0011","83.217","0.013","88.956","0.007","83.522","0.013","451.36","0.11","296","1","296","1","","","720000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0804","0.0633","","","0.1363","0.1443","","","","","","1.132","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549829","3.989","0.0004","8.933","0.003","10.667","0.001","87.474","0.016","88.623","0.008","86.839","0.017","379.07","0.14","296","1","296","1","","","6000000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0673","0.0566","","","0.1435","0.1487","","","","","","1.197","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549830","4.068","0.0003","9.26","0.0018","10.911","0.001","85.828","0.012","88.899","0.007","85.395","0.013","408.56","0.09","296","1","296","1","","","3080000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0541","0.0425","","","0.1106","0.1194","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549831","3.997","0.0002","8.9646","0.0017","10.6952","0.0008","87.267","0.012","88.673","0.006","86.652","0.011","382.06","0.08","296","1","296","1","","","5630000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0571","0.0485","","","0.1064","0.1103","","","","","","1.087","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549832","4.0313","0.0003","9.11","0.002","10.8051","0.0011","86.619","0.015","88.825","0.007","86.015","0.014","395.12","0.1","296","1","296","1","","","4180000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0749","0.0592","","","0.1422","0.1507","","","","","","1.159","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549842","8.8042","0.0017","13.872","0.003","15.012","0.003","113.273","0.004","91.702","0.004","108.265","0.004","1574.4","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0908","0.068","","","0.1582","0.1702","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549843","8.933","0.01","14.009","0.016","15.07","0.016","113.024","0.014","91.175","0.016","108.218","0.015","1627","3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1236","0.1365","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549844","8.7198","0.0004","13.8688","0.0007","15.15","0.0008","112.076","0.001","90.143","0.001","106.456","0.001","1615.99","0.14","450","2","450","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0577","0.0495","","","0.141","0.1499","","","","","","1.049","","","","has coordinates,has disorder","228665","2020-10-21","18:00:00",""
"1549845","8.6715","0.0005","13.689","0.0008","15.1994","0.0008","112.725","0.002","90.764","0.002","106.662","0.002","1578.49","0.16","300","2","300","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.046","0.0379","","","0.0917","0.0956","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549846","8.8606","0.0007","13.9125","0.001","14.9455","0.0011","65.422","0.002","87.897","0.002","71.56","0.002","1579.8","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0523","0.0457","","","0.1108","0.115","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549847","8.6306","0.0004","13.5529","0.0007","15.2106","0.0008","113.16","0.001","91.252","0.001","106.863","0.001","1546.66","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0799","0.0721","","","0.1842","0.2117","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549848","8.3737","0.0003","10.0127","0.0004","24.658","0.0008","90","","90","","90","","2067.41","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 -","- C23 H22 Br N O4 -","- C92 H88 Br4 N4 O16 -","4","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0989","0.1055","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549849","6.25857","0.00015","10.36","0.0006","11.9013","0.0006","64.561","0.005","87.812","0.003","84.16","0.003","693.22","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","1","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0522","0.0466","","","0.1286","0.1324","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549850","24.8328","0.0003","24.8328","0.0003","24.8328","0.0003","90","","90","","90","","15313.6","0.3","280","2","280","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Dy-NDC","","","- C144 Dy12 O64 -","- C144 Dy12 O64 -","- C288 Dy24 O128 -","2","0.0104167","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.1623","0.1562","","","0.5328","0.545","","","","","","2.986","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549851","29.9107","0.0006","29.9107","0.0006","29.9107","0.0006","90","","90","","90","","26759.6","0.9","240","2","240","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Dy-ABDC","","","- C42 H24 Dy3 N6 O16 -","- C42 H24 Dy3 N6 O16 -","- C336 H192 Dy24 N48 O128 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0581","0.0529","","","0.1535","0.1606","","","","","","1.203","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549852","27.5659","0.0002","27.5659","0.0002","27.5659","0.0002","90","","90","","90","","20946.7","0.3","240","2","240","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Dy-BPDC","","","- C42 H24 Dy3 O20 -","- C42 H24 Dy3 O20 -","- C336 H192 Dy24 O160 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1854","0.1926","","","","","","1.357","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549853","10.499","0.003","20.581","0.006","8.367","0.002","90","","108.054","0.003","90","","1718.9","0.8","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C76 H60 Br4 N8 O12 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71","MoKα","","0.0796","0.0398","","","0.0688","0.0814","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549854","18.29","0.002","10.7507","0.0014","9.233","0.0012","90","","98.659","0.002","90","","1794.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71073","MoKα","","0.1075","0.0696","","","0.2152","0.2452","","","","","","1.059","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549859","10.2072","0.0005","22.8173","0.0011","7.0823","0.0003","90","","90.009","0.001","90","","1649.47","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0691","0.0591","","","0.1678","0.1728","","","","","","1.264","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549860","7.2306","0.0004","7.3257","0.0004","8.8664","0.0005","106.573","0.003","100.859","0.003","94.501","0.003","437.69","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 N O5 -","- C9 H7 N O5 -","- C18 H14 N2 O10 -","2","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0302","0.0283","","","0.0767","0.0786","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549861","5.0866","0.0004","7.5068","0.0005","9.0684","0.0006","76.038","0.002","85.125","0.002","72.229","0.001","319.98","0.04","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","1","0.5","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0172","0.0172","","","0.0442","0.0442","","","","","","1.16","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549862","30.0973","0.001","30.8663","0.001","31.9583","0.001","91.509","0.01","102.049","0.01","94.109","0.01","28934","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","1","0.5","","Le Poul, Nicolas; Colasson, Benoit; Thiabaud, Grégory; Dit Fouque, Dany Jeanne; Iacobucci, Claudio; Memboeuf, Antony; Douziech, Bénédicte; Řezáč, Jan; Prangé, Thierry; de la Lande, Aurélien; Reinaud, Olivia; Le Mest, Yves","Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic.","Chemical science","2018","9","43","8282","8290","10.1039/c8sc03124j","","","0.954","","","0.1211","0.1153","","","0.3647","0.3688","","","","","","1.524","","","","has coordinates,has disorder","228687","2020-10-21","18:00:00",""
"1549863","9.928","0.002","11.964","0.003","13.33","0.004","91.365","0.008","90.705","0.008","93.476","0.006","1579.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 Br2 -","- C42 H28 Br2 -","- C84 H56 Br4 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1287","0.0647","","","0.1562","0.1819","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549864","9.859","0.004","13.666","0.004","14.502","0.006","91.78","0.03","96.21","0.03","110.33","0.03","1816.5","1.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H38 -","- C60 H38 -","- C120 H76 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","1.54184","CuKα","","0.2932","0.09","","","0.1676","0.2722","","","","","","0.926","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549865","9.2129","0.0016","21.272","0.004","36.423","0.006","90","","91.73","0.011","90","","7135","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.33333 H18.66667 Cl0.66667 S2 -","- C34 H18 S2 -","- C408 H216 S24 -","12","3","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1662","0.0724","","","0.1467","0.1829","","","","","","0.963","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549868","10.7684","0.0011","9.0383","0.0009","10.859","0.0011","90","","118.567","0.003","90","","928.22","0.16","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl N3 O2 Pd -","- C20 H20 Cl N3 O2 Pd -","- C40 H40 Cl2 N6 O4 Pd2 -","2","1","","Wu, Xiaolu; Yang, Zhi; Yan, Xinwen; Zhang, Pengfei; Wang, Lin; Guo, Ge; Dong, Yuping; Li, Xiaofang","Polymerization of 1-chloro-2-phenylacetylene by cationic monoanionic tridentate (S,S)-bis(oxazolinylphenyl)amido-ligated palladium catalysts: is it a coordination‒insertion mechanism?","Polymer Chemistry","2018","9","39","4856","","10.1039/C8PY00903A","","","0.71073","MoKα","","0.0451","0.0428","","","0.1105","0.1133","","","","","","1.047","","","","has coordinates,has disorder","230959","2020-10-21","18:00:00",""
"1549874","5.8314","0.0004","9.95","0.0006","10.2599","0.0006","71.126","0.006","76.243","0.006","77.203","0.006","540.33","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0936","0.0685","","","0.1785","0.2046","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549875","5.33701","0.0001","17.9259","0.0003","21.5579","0.0004","90","","92.9404","0.0017","90","","2059.74","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl N O6 -","- C24 H22 Cl N O6 -","- C96 H88 Cl4 N4 O24 -","4","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0703","0.0525","","","0.1308","0.1453","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549876","9.1082","0.0005","10.2539","0.0006","25.5319","0.0015","90","","90","","90","","2384.5","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C104 H112 Cl8 N8 O24 -","8","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0822","0.0668","","","0.1763","0.2002","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549877","16.521","0.0005","16.521","0.0005","49.1998","0.0017","90","","90","","120","","11629.6","0.6","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H37 Cl4 N6 O1.5 -","- C44.0001 H37.0002 Cl4 N6 O1.5 -","- C528.001 H444.002 Cl48 N72 O18 -","12","0.333333","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.0544","0.0486","","","0.1341","0.1371","","","","","","1.057","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549878","5.7565","0.0005","25.735","0.002","26.34","0.002","90","","91.02","0.002","90","","3901.5","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H32 Cl6 N6 -","- C44 H32 Cl6 N6 -","- C176 H128 Cl24 N24 -","4","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.1361","0.0911","","","0.2388","0.2893","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549879","9.9758","0.0003","14.1235","0.0003","21.6617","0.0004","98.632","0.002","94.107","0.002","107.17","0.002","2861.15","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H60 N6 O12 S3 -","- C63 H59.78 N6 O12 S3 -","- C126 H119.56 N12 O24 S6 -","2","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","1.54184","CuKα","","0.0664","0.0488","","","0.1241","0.1332","","","","","","1.047","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549882","11.2477","0.0004","15.3784","0.0005","9.6298","0.0003","90","","114.204","0.001","90","","1519.25","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Matsuura, Rei; Jankins, Tanner C.; Hill, David E.; Yang, Kin S.; Gallego, Gary M.; Yang, Shouliang; He, Mingying; Wang, Fen; Marsters, Rohan P.; McAlpine, Indrawan; Engle, Keary M.","Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids.","Chemical science","2018","9","44","8363","8368","10.1039/c8sc03081b","","x-ray","1.54178","CuKα","","0.0368","0.035","","","0.0906","0.0925","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549883","6.5197","0.0006","35.222","0.003","7.231","0.0007","90","","102.838","0.01","90","","1619","0.3","119.99","0.14","119.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","decaaquodisodium 4-[2-(3-pyridyl)diazenyl]-benzoate","","- C12 H18 N3 Na O7 -","- C12 H18 N3 Na O7 -","- C48 H72 N12 Na4 O28 -","4","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","x-ray","0.71073","MoKα","","0.1114","0.0911","","","0.1631","0.1714","","","","","","1.259","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549884","35.5103","0.0007","9.6091","0.0002","37.3391","0.0008","90","","103.589","0.002","90","","12384.3","0.5","100","1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,7,12-Tris-(2-(4-pyridylazo)ethoxy)-3,8,13-trimethoxy-10,15-dihydro-2H-tribenzo[a,d,g]cyclononene nitromethane clathrate","","- C65 H63 N11 O13 -","- C65 H63 N11 O13 -","- C520 H504 N88 O104 -","8","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.1127","0.0959","","","0.2991","0.3231","","","","","","1.36","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549885","6.1765","0.0004","7.0883","0.0004","17.5927","0.0006","88.175","0.004","83.629","0.005","69.716","0.006","717.98","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","octaaquodibis(4-[2-(4-pyridyl)diazenyl]-benzoate)sodium(I)","","- C12 H16 N3 Na O6 -","- C12 H16 N3 Na O6 -","- C24 H32 N6 Na2 O12 -","2","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.042","0.0342","","","0.0911","0.0973","","","","","","1.056","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549886","9.6864","0.0005","29.786","0.002","34.468","0.004","71.898","0.008","88.532","0.006","89.954","0.005","9449.1","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7,12-trimethoxy-3,8,13-tris(4,3?-pyridyl-azophenylcarboxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene","","- C60 H30 N9 O9 -","- C60 H42 N9 O9 -","- C240 H168 N36 O36 -","4","2","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","0.6889","synchrotron","","0.3324","0.2253","","","0.4559","0.4885","","","","","","1.711","","","","has coordinates,has disorder","228698","2020-10-21","18:00:00",""
"1549887","13.2806","0.0016","27.575","0.003","20.326","0.002","90","","99.632","0.005","90","","7338.7","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H58 B Br Co F24 P4 -","- C75 H58 B Br Co F24 P4 -","- C300 H232 B4 Br4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1111","0.0581","","0.1324","0.1047","0.1313","","","","","","1.0304","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549888","13.0252","0.0015","17.6478","0.0019","18.721","0.002","103.179","0.004","108.177","0.003","99.43","0.003","3850.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H67 B Co F24 P4 -","- C84 H67 B Co F24 P4 -","- C168 H134 B2 Co2 F48 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.073","0.0491","","0.1304","0.1132","0.1304","","","","","","0.9753","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549889","15.234","0.003","17.698","0.003","18.812","0.003","107.508","0.007","101.067","0.008","114.08","0.005","4117.5","1.3","100","2","99.94","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H60 B Co F24.5 P4 S -","- C79 H60 B Co F24.4997 P4 S -","- C158 H120 B2 Co2 F48.9994 P8 S2 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.177","0.0763","","","0.1773","0.237","","","","","","1.015","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549890","14.313","0.001","28.967","0.002","18.3198","0.0012","90","","104.992","0.005","90","","7336.9","0.9","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H54 B Co F24 O P3 -","- C79 H54 B Co F24 O P3 -","- C316 H216 B4 Co4 F96 O4 P12 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.54178","CuKα","","0.1972","0.0789","","","0.1765","0.2557","","","","","","0.943","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549891","15.392","0.004","16.404","0.004","17.511","0.004","72.538","0.008","72.836","0.008","86.072","0.009","4028.8","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H70 B Co F24 P3 -","- C86 H70 B Co F24 P3 -","- C172 H140 B2 Co2 F48 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1116","0.0567","","0.1703","0.124","0.169","","","","","","0.9484","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549892","12.6883","0.0009","18.4229","0.0013","18.5758","0.0012","115.784","0.0019","99.469","0.002","97.331","0.002","3758.4","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H65 B Co F24 N P3 -","- C80.5 H65 B Co F24 N P3 -","- C161 H130 B2 Co2 F48 N2 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1218","0.061","","0.1299","0.1113","0.1298","","","","","","0.9321","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549893","18.5988","0.0009","21.2082","0.0017","18.9102","0.0012","90","","90.121","0.002","90","","7459.1","0.8","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.75 H61.5 B Co F24.12 N P4 -","- C77.75 H61.5 B Co F24.123 N P4 -","- C311 H246 B4 Co4 F96.492 N4 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1797","0.0972","","","0.2245","0.2786","","","","","","1.044","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549894","13.183","0.003","16.54","0.003","16.808","0.003","82.81","0.006","83.316","0.007","84.81","0.007","3600.7","1.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H58 B Co F24 O P4 -","- C75 H58 B Co F24 O P4 -","- C150 H116 B2 Co2 F48 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1164","0.0786","","0.2229","0.1848","0.2222","","","","","","0.9973","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549895","11.8224","0.0006","19.1322","0.0011","33.4483","0.0015","90","","97.5642","0.0019","90","","7499.8","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H59 B Co F24 P4 -","- C75 H59 B Co F24 P4 -","- C300 H236 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0575","0.0525","","0.1371","0.1347","0.1371","","","","","","0.9405","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549896","14.706","0.0006","15.1357","0.0005","19.031","0.0007","71.3492","0.0013","83.8715","0.0014","80.5636","0.0015","3952.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H64 B Co F25 O P4 -","- C81 H64 B Co F25 O P4 -","- C162 H128 B2 Co2 F50 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0621","0.0508","","0.1426","0.1296","0.1426","","","","","","1.0241","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549897","16.2021","0.0005","25.658","0.0009","18.5436","0.0006","90","","90.185","0.002","90","","7708.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H64 B Co F24 P4 -","- C83 H64 B Co F24 P4 -","- C332 H256 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.5418","CuKα","","0.2019","0.1126","","0.3487","0.2676","0.3482","","","","","","0.9381","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549906","7.652","0.009","14.111","0.019","15.379","0.019","90","","90","","90","","1661","4","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6aF-Me2","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0496","","","","0.1245","","","","","","0.966","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549907","15.147","0.005","15.449","0.005","16.488","0.005","82.861","0.012","80.898","0.01","78.48","0.008","3716","2","150","","150","","","","","","","","","3","P -1","-P 1","2","","11D-Me2","","- C26 H20 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","4","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0731","","","","0.1916","","","","","","1.113","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549908","13.252","0.006","5.704","0.002","42.601","0.019","90","","90","","90","","3220","2","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","","7aF-Me2","","- C22 H18 N2 -","- C22 H13 N2 -","- C176 H104 N16 -","8","2","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0697","","","","0.2052","","","","","","1.026","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549909","18.8567","0.0003","20.0714","0.0004","19.2011","0.0004","90","","102.741","0.002","90","","7088.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50.5 Ce0.5 N3 O1.5 -","- C33 H50.5 Ce0.5 N3 O1.5 -","- C264 H404 Ce4 N24 O12 -","8","2","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.1309","0.0975","","","0.2069","0.2261","","","","","","1.041","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549910","14.083","0.0003","17.4883","0.0002","15.0209","0.0002","90","","99.155","0.002","90","","3652.34","0.1","120","","120","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C124 H200 Br8 Ce4 Li4 N12 O8 -","2","0.5","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0481","0.0345","","","0.0806","0.0876","","","","","","1.074","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549911","16.491","0.0003","25.6698","0.0004","18.9736","0.0004","90","","100.574","0.002","90","","7895.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H105 Ce N8 O3 S2 -","- C70 H105 Ce N8 O3 S2 -","- C280 H420 Ce4 N32 O12 S8 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0766","0.0538","","","0.1297","0.1444","","","","","","1.005","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549912","17.1931","0.0006","18.0941","0.0005","18.142","0.0005","60.078","0.003","63.808","0.003","83.013","0.003","4353.9","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C77 H93 Ce N6 O9 -","- C72 H107 Ce N6 O9 -","- C144 H214 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0687","0.0574","","","0.1397","0.147","","","","","","1.043","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549913","15.9574","0.0007","17.7857","0.0004","17.8098","0.0005","62.686","0.002","69.389","0.003","77.518","0.003","4194.6","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H99 Ce N6 O9 -","- C73 H102 Ce N6 O9 -","- C146 H204 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","1.54184","CuKα","","0.1098","0.0966","","","0.2589","0.2718","","","","","","0.95","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549914","12.6458","0.0002","24.6116","0.0004","24.4523","0.0004","90","","93.8","0.001","90","","7593.6","0.2","120.01","0.13","120.01","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H105 Ce N6 O3 -","- C84 H105 Ce N6 O3 -","- C336 H420 Ce4 N24 O12 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0742","0.0459","","","0.1236","0.1419","","","","","","0.916","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549915","33.2202","0.0013","13.2404","0.0005","15.202","0.0005","90","","113.392","0.001","90","","6137","0.4","120","2","120.03","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0933","0.0438","","","0.0809","0.1038","","","","","","1.09","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549916","33.4492","0.0011","13.0989","0.0005","16.2467","0.0006","90","","112.538","0.003","90","","6574.8","0.4","280","1","280","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.1592","0.0679","","","0.0766","0.1098","","","","","","0.97","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549917","33.557","0.006","13.117","0.002","16.174","0.002","90","","112.407","0.005","90","","6581.8","1.8","280","2","280.02","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.098","0.0404","","","0.0716","0.0873","","","","","","0.996","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549918","33.219","0.003","12.9438","0.001","16.3125","0.0013","90","","111.934","0.003","90","","6506.3","0.9","120","2","119.94","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0877","0.0738","","","0.1969","0.209","","","","","","1.053","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549919","7.8612","0.0003","9.8518","0.0005","27.1605","0.0014","90","","90","","90","","2103.5","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 N4 O S -","- C23 H16 N4 O S -","- C92 H64 N16 O4 S4 -","4","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0615","0.0548","","","0.1558","0.1638","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549920","8.7916","0.0002","5.6255","0.0001","14.7562","0.0003","90","","95.407","0.002","90","","726.55","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H10 N3 S2 -","- C17 H11 N3 S2 -","- C34 H22 N6 S4 -","2","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0329","0.0311","","","0.0814","0.0834","","","","","","1.037","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549921","8.098","0.0005","10.0379","0.0007","10.4154","0.0007","116.381","0.004","111.697","0.003","92.496","0.004","682.41","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C26 H34 N6 O8 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0878","0.0516","","","0.1145","0.1328","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549922","6.695","0.0013","10.327","0.002","13.555","0.003","107.4","0.03","92.61","0.03","102.79","0.03","865.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C38 H42 N6 O10 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0576","0.0506","","","0.1359","0.1425","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549923","9.999","0.002","17.469","0.004","8.521","0.0017","90","","98.76","0.03","90","","1471","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0575","0.0485","","","0.1211","0.1275","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549924","8.789","0.0018","10.706","0.002","17.342","0.004","90","","99.97","0.03","90","","1607.2","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N3 O6 -","- C14 H23 N3 O6 -","- C56 H92 N12 O24 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0818","0.0552","","","0.1305","0.1465","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549925","12.8188","0.0008","6.1493","0.0004","13.1714","0.0008","90","","99.328","0.002","90","","1024.53","0.11","150","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0534","0.0446","","","0.1121","0.1203","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549926","11.8801","0.0013","9.9317","0.0011","20.246","0.002","90","","104.31","0.004","90","","2314.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N3 O5 -","- C24 H31 N3 O5 -","- C96 H124 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1396","0.0764","","","0.1998","0.246","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549927","6.747","0.0014","22.937","0.005","13.927","0.003","90","","90.66","0.03","90","","2155.1","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","OMe-a","","- C20 H21 Cl3 D N3 O5 -","- C20 H21 Cl3 D N3 O5 -","- C80 H84 Cl12 D4 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.05","0.0452","","","0.1194","0.1225","","","","","","1.11","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549928","11.253","0.002","15.863","0.003","22.909","0.005","90","","99.957","0.003","90","","4027.8","1.4","150","","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N3 O7.5 -","- C19 H28 N3 O7.5 -","- C152 H224 N24 O60 -","8","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1013","0.0732","","","0.1872","0.2083","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549929","10.42","0.002","13.2","0.003","13.9","0.003","89.03","0.03","85.92","0.03","75.68","0.03","1847.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15.5 H20.27 Cl N3 O4.64 -","- C15.5 H21.1105 Cl N3 O4.55525 -","- C62 H84.442 Cl4 N12 O18.221 -","4","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1089","0.0935","","","0.2851","0.3019","","","","","","1.042","","","","has coordinates,has disorder","228688","2020-10-21","18:00:00",""
"1549930","37.232","0.008","37.232","0.008","80.093","0.018","90","","90","","120","","96152","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 Co48 N72 O126 S48 -","- C642 H600 Cl12 Co48 N72 O126 S48 -","- C1926 H1800 Cl36 Co144 N216 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.0915","0.0735","","","0.2054","0.2227","","","","","","0.982","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549931","37.799","0.006","37.799","0.006","86.192","0.013","90","","90","","120","","106649","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 N72 Ni48 O126 S48 -","- C642 H600 Cl12 N72 Ni48 O126 S48 -","- C1926 H1800 Cl36 N216 Ni144 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.1109","0.0617","","","0.1536","0.1692","","","","","","1.03","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549932","8.596","0.0006","9.3242","0.0008","9.5215","0.0007","101.132","0.007","103.244","0.006","96.071","0.006","719.84","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Li, Shuai-Shuai; Lv, Xintong; Ren, Didi; Shao, Chang-Lun; Liu, Qing; Xiao, Jian","Redox-triggered cascade dearomative cyclizations enabled by hexafluoroisopropanol.","Chemical science","2018","9","43","8253","8259","10.1039/c8sc03339k","","","1.54184","CuKα","","0.0547","0.051","","","0.1461","0.152","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549934","26.0567","0.0005","14.2086","0.0003","28.6868","0.0006","90","","94.091","0.002","90","","10593.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","1","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","1","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.081","0.0576","","","0.1504","0.1668","","","","","","1.013","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549935","19.0205","0.0003","20.3813","0.0004","30.1755","0.0005","90","","90","","90","","11697.9","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","2","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","0.5","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.0634","0.054","","","0.161","0.1688","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549936","22.923","0.002","11.8528","0.0011","15.482","0.003","90","","127.476","0.002","90","","3338.3","0.8","100","","100","","","","","","","","see text","7","C 1 2/m 1","-C 2y","12","","","","- C20 H26 Cu F18 N8 O P3 -","- C20 H26 Cu F18.008 N8 O1.002 P3.002 -","- C80 H104 Cu4 F72.032 N32 O4.008 P12.008 -","4","0.5","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0894","0.0655","","","0.1435","0.1561","","","","","","1.036","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549937","26.95","0.002","11.628","0.0008","21.3978","0.0016","90","","90.293","0.004","90","","6705.4","0.8","106","","106","","","","","","","","see text","8","C 1 c 1","C -2yc","9","","","","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C168 H236 Cu16 F96 N68 O16 P16 S16 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0666","0.0577","","","0.1459","0.1539","","","","","","1.044","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549938","10.1257","0.0013","12.8486","0.0017","14.7435","0.0018","110.335","0.006","96.001","0.007","97.292","0.007","1761.1","0.4","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C22 H28 F18 N11 O P3 -","- C22 H28 F18 N11 O P3 -","- C44 H56 F36 N22 O2 P6 -","2","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.069","0.0446","","","0.0955","0.1063","","","","","","1.027","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549939","13.8276","0.0018","17.576","0.002","22.488","0.003","90","","97.359","0.004","90","","5420.3","1.2","100","","100","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C148 H144 Cl16 Cu12 F36 N64 O44 S12 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0929","0.0839","","","0.1972","0.2023","","","","","","1.098","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549940","13.2572","0.0006","5.1221","0.0002","16.7741","0.0008","90","","97.5575","0.0019","90","","1129.15","0.09","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-fluoro-1,3-diphenyl-1,3-propanedione","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0412","0.0342","","","0.0848","0.0884","","","","","","1.153","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549941","11.1604","0.0008","11.7655","0.0008","10.819","0.0008","90","","114.318","0.0017","90","","1294.57","0.16","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0813","0.0721","","","0.2084","0.2243","","","","","","1.105","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549942","8.5592","0.0005","12.9739","0.0008","12.3376","0.0008","90","","102.407","0.0017","90","","1338.05","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0672","0.058","","","0.1632","0.1749","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549943","4.3647","0.0004","11.5018","0.001","12.3118","0.0011","90","","94.065","0.003","90","","616.52","0.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C30 H18 F6 O4 -","2","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0536","0.0415","","","0.093","0.0981","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549944","6.0944","0.0008","30.676","0.004","6.881","0.0009","90","","90","","90","","1286.4","0.3","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-fluoro-1,3-bis(4-chlorophenyl)-1,3-propanedione","","- C15 H9 Cl2 F O2 -","- C15 H9 Cl2 F O2 -","- C60 H36 Cl8 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0527","0.0436","","","0.0941","0.0971","","","","","","1.213","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549945","31.944","0.002","7.0229","0.0005","6.1827","0.0005","90","","90","","90","","1387.02","0.17","120","","120","","","","","","","","","4","C m c 21","C 2c -2","36","","2-fluoro-1,3-bis(4-methoxyphenyl)-1,3-propanedione","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0953","0.0994","","","","","","1.042","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549946","28.403","0.002","6.1029","0.0004","6.9953","0.0005","90","","102.753","0.003","90","","1182.66","0.14","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C60 H36 F12 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0523","0.0415","","","0.1156","0.123","","","","","","1.054","","","","has coordinates","288478","2023-12-21","16:01:39",""
"1549953","10.9035","0.0003","11.9862","0.0004","12.6785","0.0005","90","","90","","90","","1656.97","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl Sb -","- C18 H15 Au Cl Sb -","- C72 H60 Au4 Cl4 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0679","0.0419","","","0.0637","0.0736","","","","","","0.899","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549954","12.1481","0.001","29.298","0.002","12.605","0.001","90","","94.0574","0.0015","90","","4475.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C182.4 H204 Au8 Cl8 O3.6 Sb8 -","4","2","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0998","0.0786","","","0.193","0.2134","","","","","","1.08","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549955","18.6854","0.0003","14.9411","0.0003","28.657","0.0005","90","","97.503","0.001","90","","7932","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85.25 H73.25 Au Cl6 Sb5 -","- C85.202 H73.335 Au Cl5.9335 Sb4.9335 -","- C340.808 H293.34 Au4 Cl23.734 Sb19.734 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.1416","0.0628","","","0.0928","0.1186","","","","","","1.026","","","","has coordinates,has disorder","228752","2020-10-21","18:00:00",""
"1549956","16.7528","0.0008","46.762","0.002","22.2312","0.0011","90","","96.6202","0.0016","90","","17299.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C169 H142 Au13 B Cl6 Sb8 -","- C169 H142 Au13 B Cl6 Sb8 -","- C676 H568 Au52 B4 Cl24 Sb32 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0955","0.0741","","","0.1752","0.1914","","","","","","1.068","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549957","24.5859","0.0004","11.8194","0.0002","26.9019","0.0004","90","","116.277","0.001","90","","7009.6","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C77 H77 Au Cl2 Sb4 -","- C77 H77 Au Cl2 Sb4 -","- C308 H308 Au4 Cl8 Sb16 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0765","0.044","","","0.0806","0.0955","","","","","","1.047","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549958","23.2608","0.0014","10.7528","0.0006","17.423","0.001","90","","117.976","0.001","90","","3848.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 F6 N8 Ni2 O4 S2 -","- C30 H46 F6 N8 Ni2 O4 S2 -","- C120 H184 F24 N32 Ni8 O16 S8 -","4","0.5","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.0575","0.0468","","","0.1382","0.1463","","","","","","1.054","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549959","13.3985","0.0006","16.8518","0.0009","18.0347","0.0009","112.816","0.001","92.719","0.001","91.167","0.002","3745.9","0.3","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H88 F12 N12 Ni2 O5 S4 -","- C63 H88 F12 N12 Ni2 O5 S4 -","- C126 H176 F24 N24 Ni4 O10 S8 -","2","1","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.1066","0.0745","","","0.1782","0.2002","","","","","","1.028","","","","has coordinates,has disorder","228841","2020-10-21","18:00:00",""
"1549960","22.1222","0.0007","15.3352","0.0005","15.7519","0.0005","90","","92.864","0.003","90","","5337.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Fe2 N4 P3 -","- C54 H74 Fe2 N4 P3 -","- C216 H296 Fe8 N16 P12 -","4","0.5","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54184","CuKα","","0.0595","0.0554","","","0.1489","0.1566","","","","","","1.04","","","","has coordinates","228844","2020-10-21","18:00:00",""
"1549961","18.0839","0.0004","18.8962","0.0003","13.6307","0.0002","90","","115.729","0.002","90","","4196.05","0.15","150","0.1","150","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","1","0.125","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54178","CuKα","","0.0828","0.0757","","","0.219","0.2278","","","","","","1.054","","","","has coordinates,has disorder","228844","2020-10-21","18:00:00",""
"1549963","11.0105","0.0003","11.0264","0.0002","15.8268","0.0003","90","","90","","90","","1921.47","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N3 O3 -","- C23 H16 Cl N3 O3 -","- C92 H64 Cl4 N12 O12 -","4","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0534","0.0424","","","0.0794","0.0839","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549964","5.7355","0.0001","16.4707","0.0003","10.5767","0.0002","90","","105.481","0.0009","90","","962.91","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N3 O3 -","- C23 H16 Br N3 O3 -","- C46 H32 Br2 N6 O6 -","2","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0359","0.03","","","0.0629","0.0653","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549967","6.8768","0.0003","15.854","0.0008","16.6138","0.0006","90","","91.265","0.004","90","","1810.87","0.14","295.5","0.5","295.5","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 -","- C22 H19 N5 -","- C88 H76 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0697","0.0617","","","0.1606","0.1738","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549968","11.7851","0.0004","19.9797","0.0006","8.1892","0.0003","90","","97.235","0.003","90","","1912.9","0.11","297.5","0.3","297.5","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0679","0.0588","","","0.1624","0.1753","","","","","","1.019","","","","has coordinates,has disorder","228764","2020-10-21","18:00:00",""
"1549969","8.038","0.0006","10.3402","0.0008","11.9954","0.0009","73.536","0.007","81.046","0.007","84.939","0.006","943.44","0.13","296.3","0.5","296.3","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C46 H36 N12 -","2","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0782","0.0684","","","0.1844","0.1999","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549970","13.8657","0.0004","8.21008","0.00019","18.9838","0.0006","90","","111.052","0.003","90","","2016.85","0.11","296.5","0.6","296.5","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F3 N5 -","- C23 H18 F3 N5 -","- C92 H72 F12 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.07","0.0657","","","0.1531","0.1593","","","","","","1.086","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549971","8.8767","0.0007","14.5893","0.0011","19.0022","0.0014","107.139","0.002","97.232","0.002","101.356","0.002","2260.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H63 Cl2 Co N5 O8 S3 -","- C38 H63 Cl2 Co N5 O8 S3 -","- C76 H126 Cl4 Co2 N10 O16 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.05","0.0478","","","0.1237","0.125","","","","","","1.061","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549972","21.1512","0.0008","9.0244","0.0004","21.2686","0.0009","90","","95.072","0.002","90","","4043.8","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Co N5 O6 S3 -","- C37 H57 Co N5 O6 S3 -","- C148 H228 Co4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0566","0.0413","","","0.0913","0.0984","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549973","21.0944","0.0017","8.9422","0.0008","21.3506","0.0017","90","","94.977","0.002","90","","4012.2","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 N5 Ni O6 S3 -","- C37 H57 N5 Ni O6 S3 -","- C148 H228 N20 Ni4 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.1159","0.0901","","","0.2308","0.243","","","","","","1.156","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549974","8.9571","0.0007","14.5969","0.0011","18.6587","0.0014","107.64","0.001","99.252","0.001","103.157","0.001","2193.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H66 N5 Ni O8.5 S3 -","- C39 H66 N5 Ni O8.5 S3 -","- C78 H132 N10 Ni2 O17 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0306","0.0294","","","0.0783","0.0792","","","","","","1.038","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549975","21.195","0.0006","9.0313","0.0003","21.2797","0.0006","90","","94.91","0.001","90","","4058.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Fe N5 O6 S3 -","- C37 H57 Fe N5 O6 S3 -","- C148 H228 Fe4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0598","0.0432","","","0.0928","0.0977","","","","","","1.11","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549976","26.656","0.0008","9.6645","0.0003","31.5226","0.0009","90","","90.44","0.001","90","","8120.5","0.4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Fe N5 O7 S3 -","- C37 H59 Fe N5 O7 S3 -","- C296 H472 Fe8 N40 O56 S24 -","8","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0549","0.0384","","","0.0851","0.0906","","","","","","1.055","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549986","9.447","0.003","10.129","0.003","6.1571","0.0018","90","","123.42","0.03","90","","491.7","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C Cs3 O8 V -","- C Cs3 O8 V -","- C2 Cs6 O16 V2 -","2","0.5","","Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min","Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response.","Chemical science","2018","9","48","8957","8961","10.1039/c8sc03672a","","","0.71073","MoKα","","0.028","0.0258","","","0.0732","0.0972","","","","","","1.258","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549995","11.9262","0.0005","37.245","0.002","9.5161","0.0005","90","","102.531","0.004","90","","4126.3","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1468","0.08","","","0.2008","0.248","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549996","11.7855","0.0007","9.0557","0.0006","38.491","0.003","90","","97.711","0.007","90","","4070.8","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1804","0.09","","","0.2275","0.2878","","","","","","1.115","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549997","11.8126","0.001","9.1189","0.0007","38.869","0.004","90","","98.321","0.009","90","","4142.8","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.2466","0.1051","","","0.2321","0.3446","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1550001","13.5287","0.0003","14.9354","0.0003","15.4422","0.0003","87.648","0.001","65.253","0.001","71.914","0.001","2679.32","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 Al F45 O3 -","- C57 Al F45 O3 -","- C114 Al2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0756","0.0437","","","0.0824","0.0924","","","","","","1.016","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550002","12.8874","0.0003","13.362","0.0004","19.1533","0.0005","81.244","0.001","86.346","0.001","65.335","0.001","2962.37","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H8 Al F46 O4 Tl -","- C61 H8 Al F46 O4 Tl -","- C122 H16 Al2 F92 O8 Tl2 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.059","0.0449","","","0.1056","0.1121","","","","","","1.035","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550003","11.872","0.0002","13.5786","0.0003","22.6501","0.0004","83.441","0.001","84.275","0.001","85.147","0.001","3599.41","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H17 Al Cl2 F46 O3 -","- C77 H17 Al Cl2 F46 O3 -","- C154 H34 Al2 Cl4 F92 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0584","0.0439","","","0.0864","0.0916","","","","","","1.096","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550004","11.6429","0.0004","11.6834","0.0004","12.0655","0.0004","97.981","0.002","101.382","0.002","98.8","0.002","1565.64","0.09","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","1","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0918","0.0539","","","0.1199","0.1377","","","","","","1.023","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550005","12.9745","0.0006","14.9114","0.0007","32.7214","0.0015","84.388","0.002","88.756","0.002","88.372","0.002","6296.5","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H16 Al F45 O4 -","- C68 H16 Al F45 O4 -","- C272 H64 Al4 F180 O16 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.1322","0.07","","","0.1542","0.1762","","","","","","1.046","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550006","12.473","0.0005","12.4862","0.0005","24.3363","0.0009","92.264","0.001","102.069","0.001","109.518","0.001","3468.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H18 Al F45 O4 -","- C68 H18 Al F45 O4 -","- C136 H36 Al2 F90 O8 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0398","0.031","","","0.0761","0.0842","","","","","","1.043","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550007","13.5375","0.0003","24.2062","0.0005","20.9262","0.0004","90","","104.02","0.001","90","","6653.1","0.2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H20 Al F46 Li O5 -","- C65 H20 Al F46 Li O5 -","- C260 H80 Al4 F184 Li4 O20 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0917","0.0855","","","0.1828","0.1864","","","","","","1.24","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550008","13.4499","0.0005","13.5054","0.0005","44.2327","0.0016","98.198","0.001","92.575","0.001","90.287","0.001","7944","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H32 Al Cs F46 O7 -","- C73 H32 Al Cs F46 O7 -","- C292 H128 Al4 Cs4 F184 O28 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0756","0.055","","","0.1068","0.114","","","","","","1.08","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550009","13.2289","0.0003","14.1466","0.0003","17.4224","0.0004","86.299","0.001","85.794","0.001","67.503","0.001","3001.9","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H11 Al F45 N O3 -","- C66 H11 Al F45 N O3 -","- C132 H22 Al2 F90 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0482","0.0345","","","0.0803","0.0864","","","","","","1.037","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550010","24.8884","0.0012","23.4948","0.0012","22.4273","0.001","90","","105.82","0.002","90","","12617.6","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H15 Al F45 O4 P -","- C63 H15 Al F45 O4 P -","- C504 H120 Al8 F360 O32 P8 -","8","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.1133","0.0975","","","0.2325","0.2412","","","","","","1.128","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550011","13.8546","0.0004","14.2421","0.0004","20.1247","0.0006","94.513","0.001","96.029","0.001","119.026","0.001","3414.42","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H15 Al Cl F45 O3 -","- C76 H15 Al Cl F45 O3 -","- C152 H30 Al2 Cl2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0638","0.0388","","","0.0758","0.0836","","","","","","1.014","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550012","13.3297","0.0005","14.3059","0.0004","22.5568","0.0008","71.867","0.001","75.445","0.001","63.622","0.001","3629.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H36 Al F46 N O3 -","- C73 H36 Al F46 N O3 -","- C146 H72 Al2 F92 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0559","0.0389","","","0.0839","0.0906","","","","","","1.054","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550013","11.7732","0.0003","24.2075","0.0007","21.9598","0.0006","90","","90.568","0.001","90","","6258.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H13 Ag Al F46 N O4 -","- C63 H13 Ag Al F46 N O4 -","- C252 H52 Ag4 Al4 F184 N4 O16 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0357","0.0297","","","0.0682","0.0709","","","","","","1.101","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550014","22.4236","0.001","24.0454","0.0011","29.527","0.0014","91.684","0.002","111.56","0.002","98.389","0.002","14588.4","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H5 Al F45 N O3 -","- C62 H5 Al F45 N O3 -","- C620 H50 Al10 F450 N10 O30 -","10","5","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0983","0.0614","","","0.1222","0.1449","","","","","","1.099","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550018","9.2681","0.0005","10.4733","0.0005","10.8722","0.0005","82.9875","0.0015","85.2833","0.0017","74.7986","0.0016","1009.4","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","XC7","","","- C23 H24 Cl F Ir N -","- C23 H24 Cl F Ir N -","- C46 H48 Cl2 F2 Ir2 N2 -","2","1","","Chen, Xiao-Yang; Sorensen, Erik J.","Ir(iii)-catalyzed <i>ortho</i> C-H alkylations of (hetero)aromatic aldehydes using alkyl boron reagents.","Chemical science","2018","9","48","8951","8956","10.1039/c8sc03606c","","","0.71073","MoKα","","0.0251","0.0217","","","0.0474","0.0483","","","","","","1.089","","","","has coordinates","228770","2020-10-21","18:00:00",""
"1550047","15.2173","0.0004","22.8792","0.0006","16.8807","0.0005","90","","90.605","0.001","90","","5876.9","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B Dy F20 -","- C64 H70 B Dy F20 -","- C256 H280 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0732","0.065","","","0.17","0.1759","","","","","","1.06","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550048","14.9801","0.0004","23.0586","0.0007","16.7069","0.0005","90","","90.789","0.002","90","","5770.4","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B Dy F20 -","- C62 H66 B Dy F20 -","- C248 H264 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0854","0.0682","","","0.1588","0.171","","","","","","1.054","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550049","16.5863","0.0017","14.4989","0.0015","22.708","0.002","90","","90.0586","0.0016","90","","5460.9","0.9","100","2","99.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C232 H232 B4 Dy4 F80 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0756","0.0721","","","0.181","0.1851","","","","","","1.069","","","","has coordinates","228845","2020-10-21","18:00:00",""
"1550050","14.5","0.02","16.63","0.03","46.59","0.08","90","","90.027","0.012","90","","11234","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B Dy F20 -","- C60 H62 B Dy F20 -","- C480 H496 B8 Dy8 F160 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0761","0.057","","","0.1354","0.1497","","","","","","1.035","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550055","17.3189","0.0003","12.4391","0.0003","17.5819","0.0003","90","","104.339","0.002","90","","3669.7","0.13","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 N4 O2 Zn -","- C36 H58 N4 O2 Zn -","- C144 H232 N16 O8 Zn4 -","4","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0384","0.0349","","","0.0896","0.0922","","","","","","1.021","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550056","24.0631","0.0001","24.0631","0.0001","7.4652","0.0001","90","","90","","90","","4322.6","0.06","150","2","150.01","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H30 N4 O2 Zn -","- C22 H30 N4 O2 Zn -","- C176 H240 N32 O16 Zn8 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0215","0.021","","","0.0547","0.0551","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550057","39.731","0.004","11.9213","0.0009","23.8229","0.0019","90","","99.266","0.008","90","","11136.4","1.7","150","2","150","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H30 Cl4 Mg N4 O2 -","- C25.5 H30 Cl4 Mg N4 O2 -","- C408 H480 Cl64 Mg16 N64 O32 -","16","2","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","0.71073","MoKα","","0.159","0.061","","","0.0854","0.1139","","","","","","0.991","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550058","12.093","0.001","14.8544","0.0012","13.2064","0.0015","90","","105.887","0.011","90","","2281.7","0.4","150","2","150.01","0.19","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23.5 H30 N4 O2 Zn -","- C23.5 H30 N4 O2 Zn -","- C94 H120 N16 O8 Zn4 -","4","2","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","0.71073","MoKα","","0.0824","0.0538","","","0.0725","0.08","","","","","","1.025","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550059","17.113","0.0002","15.0517","0.0002","29.9562","0.0004","90","","90.872","0.001","90","","7715.22","0.17","150","2","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H62 Mg N4 O2 -","- C38 H62 Mg N4 O2 -","- C304 H496 Mg8 N32 O16 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0557","0.0505","","","0.1415","0.1444","","","","","","1.156","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550060","19.8993","0.0003","14.4435","0.0002","25.6572","0.0004","90","","92.143","0.001","90","","7369.12","0.19","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Mg N4 O2 -","- C36 H58 Mg N4 O2 -","- C288 H464 Mg8 N32 O16 -","8","2","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0773","0.0572","","","0.145","0.1585","","","","","","1.024","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550061","13.4614","0.0007","11.975","0.0007","31.039","0.0013","90","","90.965","0.004","90","","5002.8","0.4","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N4 O2 Zn -","- C54 H84 N4 O2 Zn -","- C216 H336 N16 O8 Zn4 -","4","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","0.71073","MoKα","","0.0822","0.0501","","","0.1137","0.1271","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550062","11.3788","0.0003","11.6856","0.0002","21.1747","0.0005","105.712","0.002","94.301","0.002","104.647","0.002","2590.97","0.11","150","2","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C47 H52 Cl8 N8 O4 Zn2 -","- C47 H52 Cl8 N8 O4 Zn2 -","- C94 H104 Cl16 N16 O8 Zn4 -","2","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0399","0.036","","","0.0876","0.0901","","","","","","1.047","","","","has coordinates,has disorder","230953","2020-10-21","18:00:00",""
"1550063","17.0865","0.0003","15.0333","0.0002","30.0246","0.0004","90","","91.193","0.001","90","","7710.6","0.2","150","2","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H62 N4 O2 Zn -","- C38 H62 N4 O2 Zn -","- C304 H496 N32 O16 Zn8 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0377","0.0335","","","0.0893","0.0924","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550064","9.4092","0.0005","13.8925","0.0012","14.8093","0.001","90","","95.647","0.005","90","","1926.4","0.2","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Mg2 N8 O4 -","- C40 H52 Mg2 N8 O4 -","- C80 H104 Mg4 N16 O8 -","2","0.5","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0564","0.0394","","","0.0932","0.1003","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550065","10.4966","0.0005","12.3975","0.0008","13.2265","0.001","104.289","0.006","99.208","0.005","101.826","0.005","1591.78","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1048","0.0734","","","0.182","0.2053","","","","","","1.024","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550066","10.3106","0.0002","14.6582","0.0003","27.9536","0.0004","75.075","0.002","86.248","0.002","70.983","0.002","3858.64","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0738","0.0645","","","0.1512","0.1555","","","","","","1.153","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550067","10.741","0.0011","11.0043","0.0011","15.1711","0.0014","69.405","0.009","70.878","0.009","76.429","0.009","1571.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.1126","0.0738","","","0.194","0.2183","","","","","","1.034","","","","has coordinates","228842","2020-10-21","18:00:00",""
"1550068","16.25392","0.00013","38.80173","0.00018","16.36512","0.00011","90","","119.106","0.001","90","","9017.85","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C87 H127 Co Gd N4 O9 P3 Si2 -","- C87.0084 H127.021 Co Gd N4 O9.0063 P3.0021 Si2 -","- C348.034 H508.084 Co4 Gd4 N16 O36.0252 P12.0084 Si8 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0191","0.0191","","","0.0477","0.0477","","","","","","1.086","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550069","18.266","0.0003","14.9061","0.0002","33.9132","0.0005","90","","104.455","0.001","90","","8941.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C87 H127 Co N4 O9 P3 Si2 Y -","- C87 H127 Co N4 O9 P3 Si2 Y -","- C348 H508 Co4 N16 O36 P12 Si8 Y4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","1.54184","CuKα","K-L~3~","0.0438","0.0401","","","0.105","0.1075","","","","","","1.061","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550070","8.05199","0.00012","13.9466","0.0002","31.93","0.0005","90","","90.63","0.0013","90","","3585.45","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H108 N4 O4 Si2 Zn -","- C74 H108 N4 O4 Si2 Zn -","- C148 H216 N8 O8 Si4 Zn2 -","2","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.0629","0.0575","","","0.1669","0.171","","","","","","1.092","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550071","19.34446","0.00016","39.8242","0.0004","20.5371","0.0002","90","","90.4603","0.0009","90","","15820.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H107 Co Dy N4 O9 P3 Si -","- C78 H107 Co Dy N4 O9 P3 Si -","- C624 H856 Co8 Dy8 N32 O72 P24 Si8 -","8","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.083","0.0588","","","0.1289","0.1387","","","","","","1.082","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550072","13.171","0.0004","14.3764","0.0004","19.9456","0.0006","90.736","0.002","91.97","0.002","108.933","0.003","3569.14","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.5 H96 Cl N7 Si2 Zn -","- C77.5 H96 Cl N7 Si2 Zn -","- C155 H192 Cl2 N14 Si4 Zn2 -","2","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1224","0.0814","","","0.1989","0.2218","","","","","","1.035","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550073","10.3082","0.0001","14.6723","0.0002","27.9524","0.0005","75.061","0.001","86.208","0.001","71.139","0.001","3864.76","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0659","0.0625","","","0.1302","0.1316","","","","","","1.278","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550074","10.2534","0.00018","14.6267","0.0003","27.8407","0.0005","75.0624","0.0016","86.2571","0.0015","71.1737","0.0016","3817.71","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","K-L~3~","0.0575","0.0499","","","0.1096","0.1126","","","","","","1.102","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550075","16.1487","0.0003","19.0993","0.0003","30.5159","0.0005","98.382","0.001","92.063","0.001","97.559","0.001","9215.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C348 H508 Co4 Dy4 N16 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0626","0.053","","","0.1236","0.1267","","","","","","1.09","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550076","31.5498","0.0004","16.095","0.0001","19.4714","0.0002","90","","107.306","0.001","90","","9439.85","0.17","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C88.5 H130 Cl3 Co N4 O9 P3 Si2 Tb -","- C87 H127 Co N4 O9 P3 Si2 Tb -","- C348 H508 Co4 N16 O36 P12 Si8 Tb4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1022","0.0872","","","0.2518","0.2681","","","","","","1.048","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550077","16.1981","0.0003","23.3852","0.0004","25.473","0.0005","73.821","0.002","89.254","0.002","86.965","0.001","9253.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C356 H500 Co4 Dy4 N24 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.102","0.0782","","","0.1694","0.1815","","","","","","1.117","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550083","13.7826","0.0005","9.2243","0.0002","15.0346","0.0005","90","","111.733","0.004","90","","1775.56","0.11","270","2","270","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0672","0.0467","","","0.1117","0.1245","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550084","13.8567","0.0006","9.2431","0.0002","15.1049","0.0006","90","","111.846","0.005","90","","1795.69","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0744","0.0477","","","0.1147","0.1298","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550085","13.9193","0.0008","9.2488","0.0003","15.1658","0.0007","90","","111.938","0.006","90","","1811.02","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0878","0.0493","","","0.1158","0.1374","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550086","13.5882","0.0007","9.2068","0.0005","14.8687","0.0008","90","","111.294","0.0018","90","","1733.14","0.16","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0487","0.0408","","","0.1017","0.107","","","","","","1.044","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550087","9.824","0.0005","6.304","0.0004","25.0331","0.0018","90","","90.602","0.005","90","","1550.23","0.17","370","2","370","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.1028","0.0489","","","0.1088","0.1382","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550088","18.848","0.0007","7.4991","0.0003","12.2152","0.0005","90","","107.691","0.0015","90","","1644.89","0.11","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-anisyl)-1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.0995","0.1068","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550089","9.7695","0.0008","6.177","0.0005","24.65","0.002","90","","90.36","0.007","90","","1487.5","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0977","0.0541","","","0.0941","0.1154","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550090","9.7901","0.0006","6.2016","0.0004","24.0401","0.0014","90","","92.931","0.002","90","","1457.67","0.16","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)9-(4-Fluorophenyl)-1-phenyltricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0863","0.0462","","","0.091","0.1034","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550091","9.8084","0.0003","6.2441","0.0002","24.8702","0.0009","90","","90.457","0.003","90","","1523.12","0.09","270","2","270","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0674","0.0428","","","0.097","0.111","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550092","9.9209","0.0004","9.9803","0.0004","11.1024","0.0004","90","","90","","90","","1099.29","0.07","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-one","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0436","0.0345","","","0.079","0.0824","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550093","16.0612","0.0011","7.15","0.0005","14.5266","0.001","90","","98.455","0.003","90","","1650.1","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-Fluorophenyl)-1-(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0848","0.0494","","","0.1005","0.1136","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550094","9.8199","0.0003","6.2643","0.0002","24.9393","0.0008","90","","90.51","0.003","90","","1534.08","0.08","320","2","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0767","0.0461","","","0.101","0.1174","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550139","46.3286","0.0019","5.1027","0.0002","20.9343","0.0009","90","","114.049","0.002","90","","4519.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H25 N O2 Pt -","- C29 H25 N O2 Pt -","- C232 H200 N8 O16 Pt8 -","8","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0526","0.0458","","","0.1114","0.1161","","","","","","1.115","","","","has coordinates,has disorder","230970","2020-10-21","18:00:00",""
"1550140","27.0937","0.0013","11.3331","0.0006","6.7354","0.0003","90","","90","","90","","2068.14","0.17","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H21 F2 N O2 Pt -","- C25 H21 F2 N O2 Pt -","- C100 H84 F8 N4 O8 Pt4 -","4","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0686","0.0393","","","0.0552","0.0604","","","","","","1.011","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550141","26.595","0.006","11.416","0.003","6.7344","0.0015","90","","90","","90","","2044.6","0.8","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H23 N O2 Pt -","- C25 H23 N O2 Pt -","- C100 H92 N4 O8 Pt4 -","4","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0502","0.0324","","","0.0572","0.0619","","","","","","1.017","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550142","13.1943","0.0005","14.617","0.0005","23.1255","0.0009","90","","92.449","0.001","90","","4455.9","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O3 Pt -","- C26 H25 N O3 Pt -","- C208 H200 N8 O24 Pt8 -","8","2","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0397","0.0259","","","0.0473","0.0509","","","","","","1.004","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550143","8.3132","0.0007","10.841","0.0009","12.801","0.0011","110.224","0.002","92.769","0.002","105.358","0.002","1031.34","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N2 O4 Pd -","- C24 H22 N2 O4 Pd -","- C48 H44 N4 O8 Pd2 -","2","1","","Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts","Polymer Chemistry","2018","9","45","5476","","10.1039/C8PY01292J","","","0.71073","MoKα","","0.0442","0.0352","","","0.0746","0.0787","","","","","","1.034","","","","has coordinates","230971","2020-10-21","18:00:00",""
"1550144","15.029","0.0008","21.2571","0.0008","15.4985","0.0007","90","","94.786","0.002","90","","4934.1","0.4","303","2","303.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N2 O2 Pd -","- C28 H30 N2 O2 Pd -","- C224 H240 N16 O16 Pd8 -","8","1","","Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts","Polymer Chemistry","2018","9","45","5476","","10.1039/C8PY01292J","","","0.71073","MoKα","","0.093","0.047","","","0.0872","0.1075","","","","","","1.053","","","","has coordinates","230971","2020-10-21","18:00:00",""
"1550145","10.4912","0.0004","13.4734","0.0006","14.7253","0.0006","94.369","0.002","109.58","0.002","90.382","0.002","1954.24","0.14","300","2","300.11","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 N2 O2 Pd -","- C49 H40 N2 O2 Pd -","- C98 H80 N4 O4 Pd2 -","2","1","","Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts","Polymer Chemistry","2018","9","45","5476","","10.1039/C8PY01292J","","","0.71073","MoKα","","0.0657","0.0563","","","0.1181","0.1233","","","","","","1.142","","","","has coordinates","230971","2020-10-21","18:00:00",""
"1550170","23.729","0.003","22.495","0.003","36.442","0.005","90","","90.573","0.004","90","","19451","4","100","","100","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C680 H716 B8 Cu16 F196 Zn40 -","8","2","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.1143","0.0663","","","0.1475","0.1685","","","","","","1.024","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550171","16.1793","0.0014","37.93","0.003","17.4798","0.0015","90","","105.636","0.003","90","","10330","1.5","100","","100","","","","","","","","see text","4","P 1 n 1","P -2yac","7","","","","- C50 H75 Cu3 Zn4 -","- C50 H75 Cu3 Zn4 -","- C400 H600 Cu24 Zn32 -","8","4","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.047","0.0408","","","0.0958","0.0993","","","","","","1.061","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550250","19.45","0.002","33.881","0.004","34.509","0.004","90","","103.592","0.005","90","","22104","4","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","C3 cyclo-tris-[5]helicene","","- C252 H264 O48 -","- C234 H228 O48 -","- C936 H912 O192 -","4","1","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1603","0.1449","","","0.3497","0.3592","","","","","","1.136","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1550251","15.6031","0.0009","23.6859","0.0013","26.9809","0.0015","84.266","0.002","75.642","0.003","75.481","0.003","9343.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C104.5 H86.5 Cl7.5 O24 -","- C104 H86 Cl6 O24 -","- C416 H344 Cl24 O96 -","4","2","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1392","0.1155","","","0.2976","0.3148","","","","","","1.07","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1551161","15.3069","0.0005","26.9467","0.0008","31.284","0.001","90","","90","","90","","12903.7","0.7","100","","100","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C18 H18 In N3 O8 -","- C18 H18 In N3 O8 -","- C288 H288 In16 N48 O128 -","16","","","Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee","Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity","Nature Chemistry","2017","9","","882","889","10.1038/nchem.2747","","","0.71073","MoKα","","0.061","0.0523","","","0.1834","0.1961","","","","","","1.204","","","","has coordinates,has disorder","215550","2020-10-21","18:00:00",""
"1551370","22.586","0.005","12.292","0.003","29.421","0.006","90","","92.34","0.03","90","","8161","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 K6 Mn Na3 O76 W17 -","- F6 K6 Mn Na3 O76 W17 -","- F24 K24 Mn4 Na12 O304 W68 -","4","0.5","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0859","0.0499","","","0.1118","0.1288","","","","","","1.02","","","","has coordinates","215888","2020-10-21","18:00:00",""
"1551371","17.983","0.004","18.413","0.004","22.333","0.005","90","","90","","90","","7395","3","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- Cs11 F12 K5 Mn2 Na2 O128 W34 -","- Cs11 F12 K5 Mn1.9992 Na2 O128 W34.0008 -","- Cs22 F24 K10 Mn3.9984 Na4 O255.999 W68.0016 -","2","0.125","","Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann","Real-time molecular scale observation of crystal formation","Nature Chemistry","2017","9","","369","373","10.1038/nchem.2675","","","0.71073","MoKα","","0.0951","0.0787","","","0.1908","0.2001","","","","","","1.178","","","","has coordinates,has disorder","215889","2020-10-21","18:00:00",""
"1551423","17.2768","0.0002","17.2768","0.0002","20.4482","0.0003","90","","90","","90","","6103.54","0.13","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C80 H104 Ag12 F12 N8 O16.8 S8 -","- C160 H208 Ag24 F24 N16 O33.6 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0448","0.0444","","","0.1177","0.1179","","","","","","1.21","","","","has coordinates,has disorder","215961","2020-10-21","18:00:00",""
"1551424","17.2793","0.0003","17.2793","0.0003","19.8246","0.0006","90","","90","","90","","5919.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C88 H128 Ag12 F12 N8 O12 S8 -","- C88 H128 Ag12 F12 N8 O12 S8 -","- C176 H256 Ag24 F24 N16 O24 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0419","0.0403","","","0.1038","0.1052","","","","","","1.036","","","","has coordinates,has disorder","215962","2020-10-21","18:00:00",""
"1551425","17.1887","0.0003","17.1887","0.0003","20.4219","0.0019","90","","90","","90","","6033.7","0.6","100","0.05","100","0.05","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C84 H108 Ag12 Cl12 F12 N8 O8 S8 -","- C168 H216 Ag24 Cl24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0827","0.0526","","","0.1107","0.1251","","","","","","1.066","","","","has coordinates,has disorder","215963","2020-10-21","18:00:00",""
"1551426","17.3814","0.0001","17.3814","0.0001","20.0977","0.0003","90","","90","","90","","6071.78","0.1","210","0.1","210","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -","- C164.8 H215.2 Ag24 F24 N18.4 O12 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0398","0.0338","","","0.0927","0.0966","","","","","","1.072","","","","has coordinates,has disorder","215964","2020-10-21","18:00:00",""
"1551427","17.27","0.002","17.27","0.002","20.04","0.004","90","","90","","90","","5977","1.5","180","0.1","180","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C83 H110 Ag12 F12 N8 O9 S8 -","- C83 H108 Ag12 F12 N8 O9 S8 -","- C166 H216 Ag24 F24 N16 O18 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0599","0.0512","","","0.1183","0.1218","","","","","","1.195","","","","has coordinates,has disorder","215965","2020-10-21","18:00:00",""
"1551428","17.2498","0.0003","17.2498","0.0003","21.101","0.0016","90","","90","","90","","6278.7","0.5","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C98 H140 Ag12 F12 N8 O8 S8 -","- C98 H140 Ag12 F12 N8 O8 S8 -","- C196 H280 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0723","0.0514","","","0.1061","0.1149","","","","","","1.044","","","","has coordinates,has disorder","215966","2020-10-21","18:00:00",""
"1551429","15.4518","0.0004","15.8621","0.0004","17.9312","0.0004","91.3274","0.0019","95.0852","0.0019","94.9884","0.0019","4358.91","0.19","279.99","0.1","279.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H75 Ag12 F18 N7 O12 S6 -","- C50 H75 Ag12 F17.9997 N7 O12 S6 -","- C100 H150 Ag24 F35.9994 N14 O24 S12 -","2","1","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0447","0.033","","","0.0859","0.0925","","","","","","1.035","","","","has coordinates,has disorder","215967","2020-10-21","18:00:00",""
"1551430","17.34149","0.00013","17.34149","0.00013","20.1671","0.0004","90","","90","","90","","6064.8","0.14","290","0.1","290","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0812","0.0831","","","","","","1.062","","","","has coordinates,has disorder","215968","2020-10-21","18:00:00",""
"1551431","17.29649","0.00013","17.29649","0.00013","19.8753","0.0003","90","","90","","90","","5946.07","0.11","100","0.2","100","0.2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0653","0.065","","","0.1584","0.1589","","","","","","1.228","","","","has coordinates,has disorder","215969","2020-10-21","18:00:00",""
"1551432","17.33048","0.00014","17.33048","0.00014","20.251","0.0004","90","","90","","90","","6082.3","0.14","289.96","0.15","289.96","0.15","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C80 H104 Ag12 F12 N8 O8 S8 -","- C80 H104 Ag12 F12 N8 O8 S8 -","- C160 H208 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","1.54184","CuKα","","0.0335","0.0316","","","0.0846","0.0861","","","","","","1.071","","","","has coordinates,has disorder","215970","2020-10-21","18:00:00",""
"1551433","17.1785","0.0002","17.1785","0.0002","20.8487","0.0005","90","","90","","90","","6152.47","0.18","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H136 Ag12 F12 N8 O16 S8 -","- C96 H136 Ag12 F12 N8 O16 S8 -","- C192 H272 Ag24 F24 N16 O32 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.036","0.0359","","","0.0925","0.0925","","","","","","1.251","","","","has coordinates,has disorder","215971","2020-10-21","18:00:00",""
"1551434","17.298","0.0001","17.298","0.0001","20.5393","0.0004","90","","90","","90","","6145.79","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H128 Ag12 F12 N8 O8 S8 -","- C104 H128 Ag12 F12 N8 O8 S8 -","- C208 H256 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0359","0.0282","","","0.0576","0.06","","","","","","1.051","","","","has coordinates,has disorder","215972","2020-10-21","18:00:00",""
"1551435","17.26652","0.00013","17.26652","0.00013","20.5352","0.0003","90","","90","","90","","6122.21","0.11","100.2","0.6","100.2","0.6","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C94 H120 Ag12 F12 N8 O8 S8 -","- C93 H119 Ag12 F12 N8 O8 S8 -","- C186 H238 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0477","0.0387","","","0.0842","0.0874","","","","","","1.108","","","","has coordinates,has disorder","215973","2020-10-21","18:00:00",""
"1551436","17.3073","0.0006","17.3073","0.0006","20.4745","0.0009","90","","90","","90","","6133","0.4","100.1","","100.1","","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C104 H124 Ag12 F16 N8 O8 S8 -","- C104 H124 Ag12 F16 N8 O8 S8 -","- C208 H248 Ag24 F32 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0214","0.0206","","","0.0559","0.0566","","","","","","1.077","","","","has coordinates,has disorder","215974","2020-10-21","18:00:00",""
"1551437","17.23734","0.00016","17.23734","0.00016","20.5923","0.0004","90","","90","","90","","6118.51","0.14","99.6","0.2","99.6","0.2","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Cl2 F12 N8 O8 S8 -","- C90 H113 Ag12 Cl F12 N8 O8 S8 -","- C180 H226 Ag24 Cl2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0355","0.0334","","","0.0867","0.088","","","","","","1.097","","","","has coordinates,has disorder","215975","2020-10-21","18:00:00",""
"1551438","17.2292","0.0003","17.2292","0.0003","20.5453","0.0009","90","","90","","90","","6098.8","0.3","100.15","0.1","100.15","0.1","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 Br2 F12 N8 O8 S8 -","- C90 H113 Ag12 Br F12 N8 O8 S8 -","- C180 H226 Ag24 Br2 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.059","0.0433","","","0.0939","0.1008","","","","","","1.05","","","","has coordinates,has disorder","215976","2020-10-21","18:00:00",""
"1551439","17.2105","0.0002","17.2105","0.0002","20.6982","0.0008","90","","90","","90","","6130.8","0.3","100","","100","","","","","","","","","8","I -4 2 m","I -4 2","121","","","","- C92 H114 Ag12 F12 I2 N8 O8 S8 -","- C90 H113 Ag12 F12 I N8 O8 S8 -","- C180 H226 Ag24 F24 I2 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","","0.71073","MoKα","","0.0666","0.0552","","","0.151","0.1583","","","","","","1.112","","","","has coordinates,has disorder","215977","2020-10-21","18:00:00",""
"1551440","17.2348","0.0003","17.2348","0.0003","20.8923","0.0009","90","","90","","90","","6205.8","0.3","100.3","0.5","100.3","0.5","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0725","0.0559","","","0.1293","0.1387","","","","","","1.083","","","","has coordinates,has disorder","215978","2020-10-21","18:00:00",""
"1551441","17.2529","0.0003","17.2529","0.0003","20.6795","0.0007","90","","90","","90","","6155.5","0.3","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C96 H124 Ag12 F12 N8 O8 S8 -","- C192 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0446","0.0442","","","0.1201","0.1204","","","","","","1.149","","","","has coordinates,has disorder","215979","2020-10-21","18:00:00",""
"1551442","17.2603","0.0001","17.2603","0.0001","20.5849","0.0005","90","","90","","90","","6132.61","0.16","100","0.1","100","0.1","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C96 H124 Ag12 F12 N8 O8 S8 -","- C92 H124 Ag12 F12 N8 O8 S8 -","- C184 H248 Ag24 F24 N16 O16 S16 -","2","0.125","","Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak","Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework","Nature Chemistry","2017","9","","689","697","10.1038/nchem.2718","","x-ray","0.71073","MoKα","","0.0248","0.0223","","","0.0537","0.0545","","","","","","1.031","","","","has coordinates,has disorder","215980","2020-10-21","18:00:00",""
"1551483","25.4839","0.0007","33.5954","0.001","37.4035","0.001","89.22","0.002","83.44","0.002","80.438","0.002","31370.6","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C336 H264 F96 Fe8 N96 Sb16 -","- C336 H264 F26.7 Fe8 N96 Sb4.45 -","- C672 H528 F53.4 Fe16 N192 Sb8.9 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1772","0.1408","","","0.3916","0.4176","","","","","","1.137","","","","has coordinates,has disorder","216055","2020-10-21","18:00:00",""
"1551484","22.2379","0.001","22.4501","0.0009","30.1489","0.0016","69.385","0.002","86.301","0.003","78.614","0.002","13810.4","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C232 H194.5 F48 Fe4 N42.5 O24.5 P8 -","- C232 H194.5 F42 Fe4 N42.5 O24.5 P7 -","- C464 H389 F84 Fe8 N85 O49 P14 -","2","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","1.54178","CuKα","","0.1689","0.1232","","","0.3327","0.3803","","","","","","1.261","","","","has coordinates,has disorder","216056","2020-10-21","18:00:00",""
"1551485","53.942","0.002","28.539","0.0007","41.2325","0.0015","90","","90.231","0.003","90","","63475","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C279 H244.5 As8 F48 Fe4 N37.5 O24 -","- C279 H244.5 As6.8 F40.8 Fe4 N37.5 O24 -","- C2232 H1956 As54.4 F326.4 Fe32 N300 O192 -","8","1","","Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke","Signal transduction in a covalent post-assembly modification cascade","Nature Chemistry","2017","9","","1276","1281","10.1038/nchem.2839","","","0.6889","synchrotron","","0.1627","0.1431","","","0.372","0.3909","","","","","","1.114","","","","has coordinates,has disorder","216057","2020-10-21","18:00:00",""
"1551543","29.47019","0.00018","17.3534","0.00007","38.00346","0.00016","90","","103.98","0.0007","90","","18859.6","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C276 H174 Co6 P6 Te8 -","- C276.12 H174 Co6 P6 Te8 -","- C1104.48 H696 Co24 P24 Te32 -","4","0.5","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.0594","0.0472","","","0.1156","0.1246","","","","","","1.066","","","","has coordinates,has disorder","216153","2020-10-21","18:00:00",""
"1551544","16.9985","0.0004","16.9985","0.0004","55.684","0.0015","90","","90","","120","","13934.2","0.6","100","","100","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C234 H126 Co6 P6 Te8 -","- C234 H126 Co6 P6 Te8 -","- C702 H378 Co18 P18 Te24 -","3","0.0833333","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","0.71073","MoKα","","0.1076","0.0933","","","0.2857","0.3068","","","","","","1.066","","","","has coordinates,has disorder","216154","2020-10-21","18:00:00",""
"1551545","26.5695","0.001","17.056","0.0005","21.1219","0.0008","90","","104.26","0.004","90","","9276.9","0.6","102","4","102","4","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C246 H126 Co6 N8 P6 Te8 -","- C246 H126 Co6 N8 P6 Te8 -","- C492 H252 Co12 N16 P12 Te16 -","2","0.25","","Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy","Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal","Nature Chemistry","2017","9","","1170","1174","10.1038/nchem.2844","","x-ray","1.54184","CuKα","","0.1162","0.1048","","","0.2802","0.2957","","","","","","1.19","","","","has coordinates,has disorder","216155","2020-10-21","18:00:00",""
"1551826","20.5708","0.0008","21.4332","0.0008","24.3151","0.0008","92.087","0.003","91.4","0.003","112.299","0.004","9903.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C194 H201 Cl8 N27 O54 Zn4 -","- C194 H201 Cl8 N27 O54 Zn4 -","- C388 H402 Cl16 N54 O108 Zn8 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.2255","0.133","","","0.3079","0.3727","","","","","","1.314","","","","has coordinates","216447","2020-10-21","18:00:00",""
"1551827","19.6706","0.0005","22.8014","0.0005","25.4507","0.0005","99.269","0.002","107.063","0.002","106.023","0.002","10118.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C55.5 H49.5 F6 N6 O6 -","- C55.5 H49.5 F6 N6 O6 -","- C444 H396 F48 N48 O48 -","8","4","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1903","0.1124","","","0.2724","0.332","","","","","","1.236","","","","has coordinates,has disorder","279817","2022-12-09","07:50:26",""
"1551828","12.1557","0.0005","24.1339","0.001","39.3371","0.0009","85.206","0.002","87.55","0.002","75.675","0.004","11139.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C190 H147 Cl6 F18 N20 O44 Zn3 -","- C380 H294 Cl12 F36 N40 O88 Zn6 -","2","1","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.3131","0.1543","","","0.3195","0.4101","","","","","","1.176","","","","has coordinates,has disorder","216449","2020-10-21","18:00:00",""
"1551829","33.7737","0.0007","19.1957","0.0005","37.7788","0.0007","90","","101.142","0.002","90","","24030.7","0.9","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C124 H98 Cl4 F12 N10 O30 Zn2 -","- C744 H588 Cl24 F72 N60 O180 Zn12 -","6","1.5","","Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu","Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles","Nature Chemistry","2017","9","","128","134","10.1038/nchem.2608","","","1.54178","CuKα","","0.1465","0.0928","","","0.223","0.2593","","","","","","1.137","","","","has coordinates,has disorder","277994","2022-09-20","08:32:41",""
"1551832","14.7965","0.0004","14.7965","0.0004","38.3211","0.001","90","","90","","120","","7265.9","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85.82 H25.82 B12 Cl5.46 F60 O12.99 -","- C85.82 H25.82 B12 Cl5.46 F60 O12.994 -","- C257.46 H77.46 B36 Cl16.38 F180 O38.982 -","3","0.166667","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","1.54178","CuKα","","0.0311","0.0304","","","0.0806","0.0811","","","","","","1.094","","","","has coordinates,has disorder","216453","2020-10-21","18:00:00",""
"1551833","19.211","0.003","19.674","0.003","22.866","0.004","97.606","0.005","114.089","0.005","109.756","0.005","7048","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H72 B12 F60 O12 -","- C156 H72 B12 F60 O12 -","- C312 H144 B24 F120 O24 -","2","1","","Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny","Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry","Nature Chemistry","2017","9","","333","340","10.1038/nchem.2686","","","0.71073","MoKα","","0.1771","0.068","","","0.1509","0.203","","","","","","1.008","","","","has coordinates","216454","2020-10-21","18:00:00",""
"1551851","10.838","0.0008","11.7188","0.0009","15.3855","0.0011","111.957","0.004","95.397","0.004","103.468","0.004","1726.6","0.2","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","- C69 H118 N2 P4 Ti2 -","1","0.5","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0664","0.0451","","","0.1182","0.1297","","","","","","1.031","","","","has coordinates,has disorder","216472","2020-10-21","18:00:00",""
"1551852","10.1072","0.0004","9.2624","0.0004","15.2719","0.0006","90","","93.254","0.002","90","","1427.4","0.1","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 P -","- C19 H15 P -","- C76 H60 P4 -","4","1","","Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola","A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal","Nature Chemistry","2017","9","","1126","1132","10.1038/nchem.2795","","","0.71073","MoKα","","0.0327","0.0308","","","0.083","0.0851","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551889","8.6241","0.0001","9.7969","0.0002","18.9232","0.0003","80.469","0.002","83.314","0.001","76.243","0.002","1526.55","0.05","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H31 F14 N O Si -","- C29 H31 F14 N O Si -","- C58 H62 F28 N2 O2 Si2 -","2","2","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.0439","0.0413","","","0.122","0.1242","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551890","29.4752","0.0019","8.8183","0.0006","37.823","0.002","90","","97.4465","0.0018","90","","9748.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H26 O2 S -","- C33 H26 O2 S -","- C528 H416 O32 S16 -","16","8","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.71073","MoKα","","0.11","0.0862","","","0.1829","0.1935","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551891","10.6934","0.0003","17.4932","0.0004","24.2485","0.0006","90","","90","","90","","4536","0.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 B F18 N O2 Si -","- C41.9996 H45.9992 B F18 N O1.9999 Si -","- C167.998 H183.997 B4 F72 N4 O7.9996 Si4 -","4","1","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.1037","0.0783","","","0.2159","0.2302","","","","","","1.579","","","","has coordinates,has disorder","216533","2020-10-21","18:00:00",""
"1551908","13.747","0.002","8.8403","0.0013","12.9567","0.0018","90","","114.796","0.002","90","","1429.4","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 B F2 N4 -","- C15 H13 B F2 N4 -","- C60 H52 B4 F8 N16 -","4","1","","Hai Qian; Morgan E. Cousins; Erik H. Horak; Audrey Wakefield; Matthew D. Liptak; Ivan Aprahamian","Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission","Nature Chemistry","2017","9","","83","87","10.1038/nchem.2612","","","0.71073","MoKα","","0.087","0.0496","","","0.1372","0.1648","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551977","6.1691","0.0002","10.6043","0.0004","12.4939","0.0005","97.479","0.001","97.453","0.001","99.925","0.001","788.51","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H28 Au N4 -","- C44 H28 Au N4 -","- C44 H28 Au N4 -","1","0.5","","Sebastian Preiss; Christoph Forster; Sven Otto; Matthias Bauer; Patrick Muller; Dariush Hinderberger; Haleh Hashemi Haeri; Luca Carella; Katja Heinze","Structure and reactivity of a mononuclear gold(II) complex","Nature Chemistry","2017","9","","1249","1255","10.1038/nchem.2836","","","0.71073","MoKα","","0.0249","0.0246","","","0.0569","0.0569","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551978","16.1707","0.0001","13.4756","0.0001","40.4746","0.0003","90","","99.5199","0.0006","90","","8698.35","0.11","150","","150","","","","","","","",".","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H81 B F24 Ga N2 P2 Rh -","- C88 H81 B F24 Ga N2 P2 Rh -","- C352 H324 B4 F96 Ga4 N8 P8 Rh4 -","4","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0719","0.0693","","0.1682","0.1657","0.1682","","","","","","0.9609","","","","has coordinates,has disorder","216742","2020-10-21","18:00:00",""
"1551979","15.8418","0.0002","17.8312","0.0003","19.9771","0.0004","67.4818","0.0016","79.5277","0.0014","88.0398","0.0013","5122.13","0.16","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C87 H114 Al F37 Ga N2 O4 P2 Rh -","- C174 H228 Al2 F74 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0875","0.0857","","0.2589","0.2565","0.2589","","","","","","1.0248","","","","has coordinates,has disorder","216743","2020-10-21","18:00:00",""
"1551980","11.0613","0.0002","18.6711","0.0003","20.1393","0.0004","87.3183","0.0014","84.9976","0.0015","88.3665","0.0015","4137.67","0.13","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C71 H91 Al F36 Ga N2 O4 P2 Rh -","- C142 H182 Al2 F72 Ga2 N4 O8 P4 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0611","0.059","","0.1451","0.1427","0.1451","","","","","","0.9245","","","","has coordinates,has disorder","216744","2020-10-21","18:00:00",""
"1551981","18.3055","0.0004","20.3348","0.0005","22.683","0.0005","95.335","0.002","90.4516","0.0018","93.0358","0.0018","8394.4","0.3","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C72 H93 Al F36 Ga N2 O4 P2 Rh -","- C288 H372 Al4 F144 Ga4 N8 O16 P8 Rh4 -","4","2","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0887","0.0775","","0.2101","0.1974","0.2099","","","","","","0.991","","","","has coordinates,has disorder","216745","2020-10-21","18:00:00",""
"1551982","13.5818","0.0002","19.8497","0.0003","19.8951","0.0003","95.6299","0.0012","90.1027","0.0013","91.1299","0.0012","5336.67","0.14","150","","150","","","","","","","",".","9","P -1","-P 1","2","","","","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh -","- C190 H239 Al2 F73 Ga4 N8 O8 P2 Rh2 -","2","1","","Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge","Structural snapshots of concerted double E-H bond activation at a transition metal centre","Nature Chemistry","2017","9","","1256","1262","10.1038/nchem.2792","","","1.5418","CuKα","","0.0374","0.0362","","0.0935","0.0925","0.0935","","","","","","0.9958","","","","has coordinates,has disorder","216746","2020-10-21","18:00:00",""
"1552008","10.7341","0.0003","19.6772","0.0006","17.8417","0.0005","90","","104.847","0.003","90","","3642.65","0.19","150.01","0.11","150.01","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 Th -","- C39 H63 Th -","- C156 H252 Th4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.048","0.0358","","","0.0611","0.0652","","","","","","1.015","","","","has coordinates","216817","2020-10-21","18:00:00",""
"1552009","10.7925","0.0006","19.3497","0.001","17.8721","0.0012","90","","104.314","0.006","90","","3616.4","0.4","150.02","0.14","150.02","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H63 U -","- C39 H63 U -","- C156 H252 U4 -","4","1","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","x-ray","0.71073","MoKα","","0.1249","0.0588","","","0.085","0.0983","","","","","","0.969","","","","has coordinates","216818","2020-10-21","18:00:00",""
"1552010","20.1","0.002","21.4218","0.0008","20.1165","0.0015","90","","118.596","0.011","90","","7605.1","1.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Cl U -","- C39 H63 Cl U -","- C312 H504 Cl8 U8 -","8","2","","Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills","Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy","Nature Chemistry","2017","9","","578","583","10.1038/nchem.2692","","","0.71073","MoKα","","0.1207","0.0613","","","0.0976","0.118","","","","","","1.028","","","","has coordinates","216819","2020-10-21","18:00:00",""
"1552051","11.2408","0.001","4.6467","0.0004","25.9293","0.0019","90","","99.857","0.005","90","","1334.36","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H14 Br4 N4 -","- C34 H14 Br4 N4 -","- C68 H28 Br8 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","1.54178","CuKα","","0.0532","0.0501","","","0.122","0.1253","","","","","","1.162","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552052","3.77","0.0006","16.615","0.002","17.088","0.003","90","","95.723","0.006","90","","1065","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 N4 -","- C34 H18 N4 -","- C68 H36 N8 -","2","0.5","","Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh","A two-dimensional conjugated aromatic polymer via C-C coupling reaction","Nature Chemistry","2017","9","","563","570","10.1038/nchem.2696","","","0.71073","MoKα","","0.1135","0.0904","","","0.2791","0.3065","","","","","","1.272","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552893","9","0.0018","19.58","0.004","23.93","0.005","77.99","0.03","83.67","0.03","89.86","0.03","4098.6","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4CzIPN","(4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile","","- C56 H32 N6 -","- C56 H32 N6 -","- C224 H128 N24 -","4","2","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","","0.71073","MoKα","","0.1691","0.072","","","0.1603","0.2145","","","","","","0.946","","","","has coordinates","227758","2020-10-21","18:00:00",""
"1552894","18.6689","0.0004","18.6689","","18.6689","","90","","90","","90","","6506.63","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl Cr4 N32 O0.94 -","- C24 H8 Cl Cr4 N32 O0.94 -","- C72 H24 Cl3 Cr12 N96 O2.82 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.03682","","1.03","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552895","18.51977","0.00035","18.51977","","18.51977","","90","","90","","90","","6351.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl1.77 Cu5.54 N32 O0.7 -","- C24 H8 Cl1.768 Cu5.536 N32 O0.696 -","- C72 H24 Cl5.304 Cu16.608 N96 O2.088 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03802","","0.99","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552896","18.6867","0.0005","18.6867","","18.6867","","90","","90","","90","","6525.26","0.17","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.22 H8 Cl Cr4 N32 O5.38 -","- C26.216 H8 Cl Cr4 N32 O5.3772 -","- C78.648 H24 Cl3 Cr12 N96 O16.1316 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.06629","","1.16","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552897","18.90048","0.00032","18.90048","","18.90048","","90","","90","","90","","6751.78","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C29.23 H15.77 Cl Fe4.36 N32 O7.88 -","- C29.2368 H15.7664 Cl Fe4.3586 N32 O7.8824 -","- C87.7104 H47.2992 Cl3 Fe13.0758 N96 O23.6472 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05084","","1.12","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552898","18.8957","0.0004","18.8957","","18.8957","","90","","90","","90","","6746.66","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.59 H15.77 Cl Fe4.36 N32 O2.59 -","- C26.592 H15.776 Cl Fe4.358 N32 O2.588 -","- C79.776 H47.328 Cl3 Fe13.074 N96 O7.764 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05216","","1.08","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552899","18.80041","0.00011","18.80041","","18.80041","","90","","90","","90","","6645.11","0.04","100","","100","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C28.51 Cl Fe5.24 N32 O4.74 -","- C28.5088 Cl Fe5.245 N32 O4.7362 -","- C85.5264 Cl3 Fe15.735 N96 O14.2086 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","x-ray","0.61072","","","","","","","","","0.05319","","3.2","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552900","18.52951","0.00033","18.52951","","18.52951","","90","","90","","90","","6361.97","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.13 H8 Cl1.77 Cu5.54 N32 O4.96 -","- C26.128 H8 Cl1.76796 Cu5.53592 N32 O4.95512 -","- C78.384 H24 Cl5.30388 Cu16.6078 N96 O14.8654 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03713","","1.01","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552901","18.8952","0.0004","18.8952","","18.8952","","90","","90","","90","","6746.13","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C33.47 H15.77 Cl Fe4.36 N32 O16.34 -","- C33.4594 H15.7664 Cl Fe4.3586 N32 O16.2496 -","- C100.378 H47.2992 Cl3 Fe13.0758 N96 O48.7487 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.06561","","1.26","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552902","18.5323","0.0004","18.5323","","18.5323","","90","","90","","90","","6364.85","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C30.7 H8 Cl1.77 Cu5.54 N32 O14.09 -","- C30.6968 H8 Cl1.76796 Cu5.53592 N32 O14.0899 -","- C92.0904 H24 Cl5.30388 Cu16.6078 N96 O42.2698 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.05263","","1.05","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552903","18.7761","0.0006","18.7761","","18.7761","","90","","90","","90","","6619.4","0.2","30","","30","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C25.75 H8 Cl Cr4 N32 O4.45 -","- C25.744 H8 Cl Cr4 N32 O4.368 -","- C77.232 H24 Cl3 Cr12 N96 O13.104 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.37039","","","","","","","","","0.05807","","2.13","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552904","18.68163","0.00034","18.68163","","18.68163","","90","","90","","90","","6519.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C31.66 H8 Cl Cr4 N32 O16.26 -","- C31.652 H8 Cl Cr4 N32 O16.2432 -","- C94.956 H24 Cl3 Cr12 N96 O48.7296 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.05488","","1.18","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552905","12.5636","0.0018","13.3254","0.0019","17.435","0.003","83.702","0.005","82.251","0.005","72.027","0.005","2743.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H85 K N2 Ni O7 S -","- C54 H69 K N2 Ni O7 S -","- C108 H138 K2 N4 Ni2 O14 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1355","0.073","","","0.1674","0.1962","","","","","","1.004","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552906","12.8138","0.0016","13.34","0.0017","20.566","0.003","80.905","0.004","87.457","0.004","62.801","0.004","3085.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H93 K N2 Ni O6 S2 -","- C61 H77 K N2 Ni O6 S2 -","- C122 H154 K2 N4 Ni2 O12 S4 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0992","0.0635","","","0.1444","0.1642","","","","","","1.012","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552907","20.875","0.006","11.044","0.003","26.136","0.008","90","","101.289","0.007","90","","5909","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H89 K N2 Ni O8 -","- C60 H89 K N2 Ni O8 -","- C240 H356 K4 N8 Ni4 O32 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1961","0.1112","","","0.2693","0.3112","","","","","","1.07","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552908","24.849","0.0019","17.4488","0.0012","27.016","0.002","90","","115.268","0.003","90","","10593","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H166 K2 N4 Ni2 O18 -","- C101 H148 K2 N4 Ni2 O18 -","- C404 H592 K8 N16 Ni8 O72 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1954","0.0905","","","0.2063","0.2638","","","","","","1.032","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552909","38.446","0.004","18.5998","0.0016","18.9696","0.0016","90","","112.48","0.002","90","","12534","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H105 K N2 Ni O8 S2 -","- C59 H77 K N2 Ni O8 S2 -","- C472 H616 K8 N16 Ni8 O64 S16 -","8","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1641","0.0865","","","0.2195","0.2693","","","","","","1.029","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552910","12.5942","0.001","20.265","0.002","22.942","0.002","90","","92.03","0.005","90","","5851.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C117 H178 K2 N4 Ni2 O16 S2 -","- C117 H170 K2 N4 Ni2 O16 S2 -","- C234 H340 K4 N8 Ni4 O32 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1181","0.0582","","","0.1176","0.1413","","","","","","1.009","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552911","5.66599","0.00006","8.61364","0.0001","31.0135","0.0003","90","","90","","90","","1513.61","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 F3 N O3 S -","- C17 H10 F3 N O3 S -","- C68 H40 F12 N4 O12 S4 -","4","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","1.54187","CuKα","","0.0479","0.0479","","","0.1124","0.1124","","","","","","0.962","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552912","27.336","0.002","11.5772","0.001","19.4333","0.0017","90","","106.049","0.001","90","","5910.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H70 B F20 Y -","- C64 H70 B F20 Y -","- C256 H280 B4 F80 Y4 -","4","0.5","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0685","0.047","","","0.1119","0.1255","","","","","","1.032","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552913","15.0163","0.0005","23.1163","0.0008","16.7813","0.0006","90","","90.902","0.001","90","","5824.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B F20 Y -","- C62 H66 B F20 Y -","- C248 H264 B4 F80 Y4 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0795","0.0638","","","0.1591","0.1719","","","","","","1.053","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552914","16.538","0.002","14.4952","0.0018","22.753","0.003","90","","90.053","0.002","90","","5454.4","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B F20 Y -","- C58 H58 B F20 Y -","- C232 H232 B4 F80 Y4 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.1146","0.0821","","","0.216","0.2386","","","","","","1.123","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552915","14.599","0.01","16.737","0.011","47.12","0.03","90","","90.253","0.011","90","","11513","13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B F20 Y -","- C60 H62 B F20 Y -","- C480 H496 B8 F160 Y8 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0909","0.0769","","","0.1922","0.2027","","","","","","1.046","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1553981","29.8513","0.0007","27.0724","0.0007","28.996","0.0006","90","","90","","90","","23433","1","93","0.3","93","0.3","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0552","0.0418","","","0.0968","0.1033","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553982","30.1004","0.0007","27.2979","0.0007","29.2079","0.0006","90","","90","","90","","23999.5","1","292.99","0.11","292.99","0.11","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.087","0.0536","","","0.1024","0.1154","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553983","30.1847","0.0007","27.3736","0.0007","29.2444","0.0006","90","","90","","90","","24163.6","1","273","0.12","273","0.12","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0668","0.0427","","","0.085","0.0928","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553984","29.9954","0.001","27.188","0.0009","29.1016","0.0007","90","","90","","90","","23732.8","1.3","183.01","0.1","183.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0554","0.0393","","","0.0879","0.0942","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553985","30.1665","0.0011","27.3016","0.001","29.212","0.0008","90","","90","","90","","24058.8","1.4","243.01","0.1","243.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0601","0.0396","","","0.0837","0.0911","","","","","","0.975","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553986","19.878","0.002","19.878","0.002","27.361","0.003","90","","90","","120","","9362.8","1.7","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C150 H132 Au13 Cl5 P12 -","- C150 H132 Au13 Cl5 P12 -","- C300 H264 Au26 Cl10 P24 -","2","0.166667","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.084","0.0406","","","0.0815","0.0943","","","","","","0.97","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553987","27.105","0.006","29.82","0.007","28.748","0.006","90","","90","","90","","23236","9","173.15","","173.15","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.1037","0.0542","","","0.1279","0.1549","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1553988","17.4438","0.0003","19.0667","0.0004","24.5099","0.0004","86.385","0.001","84.399","0.001","84.413","0.001","8062.6","0.3","93","0.1","93","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C156 H138 Au13 Cl F24 P16 -","- C156 H138 Au13 Cl F24 P16 -","- C312 H276 Au26 Cl2 F48 P32 -","2","1","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0694","0.046","","","0.0988","0.1087","","","","","","1.023","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1554588","11.9355","0.0004","12.1743","0.0004","15.3187","0.0004","112.686","0.003","97.711","0.002","98.63","0.003","1984.93","0.12","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H59 Cl N2 P2 Zr -","- C40 H59 Cl N2 P2 Zr -","- C80 H118 Cl2 N4 P4 Zr2 -","2","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0572","0.036","","","0.0653","0.0684","","","","","","0.924","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554589","12.10234","0.00018","13.69809","0.00019","31.6606","0.0004","90","","91.0656","0.0014","90","","5247.75","0.13","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H78 Cl N3 P2 Zr -","- C52 H78 Cl N3 P2 Zr -","- C208 H312 Cl4 N12 P8 Zr4 -","4","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","1.54184","CuKα","","0.0645","0.0505","","","0.1104","0.1153","","","","","","1.165","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554590","37.6269","0.0007","12.5284","0.0003","22.9308","0.0004","90","","99.4621","0.0019","90","","10662.6","0.4","120","1","120","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H82 Cl N5 O P2 Zr -","- C52 H82 Cl N5 O P2 Zr -","- C416 H656 Cl8 N40 O8 P16 Zr8 -","8","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.094","0.0539","","","0.0987","0.1124","","","","","","1.04","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554591","12.6621","0.0002","18.1002","0.0003","23.9357","0.0003","100.866","0.0012","95.4948","0.0013","103.491","0.0014","5182.35","0.14","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H80 Cl N3 P2 Zr -","- C52 H68 Cl N3 P2 Zr -","- C208 H272 Cl4 N12 P8 Zr4 -","4","2","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0787","0.0497","","","0.1091","0.1213","","","","","","1.037","","","","has coordinates,has disorder","237393","2020-10-21","18:00:00",""
"1554620","15.867","0.002","20.073","0.002","18.513","0.002","90","","90","","90","","5896.4","1.1","296","2","296","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H38 F6 Fe P Ru S3 -","- C24 H38 F6 Fe P Ru S3 -","- C192 H304 F48 Fe8 P8 Ru8 S24 -","8","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0788","0.0667","","","0.2143","0.2248","","","","","","1.069","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1554621","13.1028","0.0009","8.6112","0.0006","14.2219","0.001","90","","101.551","0.0013","90","","1572.17","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Co S3 -","- C14 H23 Co S3 -","- C56 H92 Co4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0366","0.0328","","","0.0884","0.0913","","","","","","1.062","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554622","14.3616","0.0006","13.9373","0.0006","16.9737","0.0007","90","","99.0564","0.001","90","","3355.1","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 F6 Fe P Ru S4 -","- C30 H43 F6 Fe P Ru S4 -","- C120 H172 F24 Fe4 P4 Ru4 S16 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0559","0.0509","","","0.1336","0.1377","","","","","","1.089","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554623","11.8","0.004","15.608","0.006","18.603","0.007","90","","90","","90","","3426","2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H41 F12 Fe N P2 Ru S3 -","- C26 H41 F12 Fe N P2 Ru S3 -","- C104 H164 F48 Fe4 N4 P8 Ru4 S12 -","4","0.5","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0784","0.0712","","","0.2214","0.231","","","","","","1.079","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1554624","20.2817","0.0011","17.2944","0.0009","12.4241","0.0007","90","","90","","90","","4357.9","0.4","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H58 B Co Fe S3 -","- C48 H58 B Co Fe S3 -","- C192 H232 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0419","0.0331","","","0.0817","0.0862","","","","","","1.015","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554625","20.576","0.002","16.9755","0.0019","12.0227","0.0014","90","","90","","90","","4199.4","0.8","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C47 H56 B Co Fe S3 -","- C47 H56 B Co Fe S3 -","- C188 H224 B4 Co4 Fe4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0589","0.0487","","","0.1108","0.1155","","","","","","1.099","","","","has coordinates","237875","2020-10-21","18:00:00",""
"1554626","15.5349","0.0004","15.8332","0.0005","18.3897","0.0005","90","","90.694","0.001","90","","4522.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 B Fe Ru S3 -","- C48 H59 B Fe Ru S3 -","- C192 H236 B4 Fe4 Ru4 S12 -","4","1","","Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping","Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions","Catalysis Science & Technology","2019","9","22","6492","","10.1039/C9CY01667H","","","0.71073","MoKα","","0.0426","0.033","","","0.084","0.0879","","","","","","1.078","","","","has coordinates,has disorder","237875","2020-10-21","18:00:00",""
"1556079","11.5652","0.0019","4.8925","0.0008","13.332","0.002","90","","92.835","0.003","90","","753.4","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C28 H24 Br2 Cl2 N4 O8 -","2","1","","Robins, Lori I.; Fettinger, James C.; Tinti, Dino S.; Kurth, Mark J.","Selective nucleophilic chemistry in the synthesis of 5-carbamoyl-3-sulfanylmethylisoxazole-4-carboxylic acids.","Journal of combinatorial chemistry","2007","9","1","139","142","10.1021/cc0601074","","","0.71073","MoKα","","0.0682","0.0552","","","0.1437","0.1484","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556116","25.446","0.002","5.8028","0.0006","16.3488","0.0015","90","","110.637","0.006","90","","2259.1","0.4","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24.5 H26 N O4.5 S -","- C24.5 H26 N O4.5 S -","- C98 H104 N4 O18 S4 -","4","1","","Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao","Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides.","Organic letters","2007","9","7","1307","1310","10.1021/ol070179j","","","1.54187","CuKα","","0.0397","0.0381","","","0.1041","0.1056","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556117","10.2528","0.0005","10.7389","0.0005","47.533","0.002","90","","90","","90","","5233.6","0.4","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C248 H216 N8 O32 S8 -","8","2","","Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao","Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides.","Organic letters","2007","9","7","1307","1310","10.1021/ol070179j","","","1.54187","CuKα","","0.0439","0.0391","","","0.0985","0.1026","","","","","","1.074","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1560721","12.5541","0.0004","12.5541","0.0004","12.5541","0.0004","90","","90","","90","","1978.59","0.11","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3ZnZrGe3O12 garnet","","","- Ca3 Ge3 O12 Zn Zr -","- Ca3 Ge3 O12 Zn Zr -","- Ca24 Ge24 O96 Zn8 Zr8 -","8","0.0833333","","Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L.","Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics","Journal of Asian Ceramic Societies","2021","9","","424","432","10.1080/21870764.2021.1879364","","","","","","","","","","","","","","","","","","","","","has coordinates","262328","2021-03-02","00:36:04",""
"1560722","12.5199","0.0002","12.5199","0.0002","12.5199","0.0002","90","","90","","90","","1962.47","0.05","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3CoZrGe3O12 garnet","","","- Ca3 Co Ge3 O12 Zr -","- Ca3 Co Ge3 O12 Zr -","- Ca24 Co8 Ge24 O96 Zr8 -","8","0.0833333","","Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L.","Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics","Journal of Asian Ceramic Societies","2021","9","","424","432","10.1080/21870764.2021.1879364","","","","","","","","","","","","","","","","","","","","","has coordinates","262329","2021-03-02","00:38:35",""
"1562365","15.5471","0.0019","14.3403","0.0017","11.7315","0.0015","90","","90","","90","","2615.5","0.6","301","2","301","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- B K1.78 Na1.22 O14 Si4 U -","- B K1.776 Na1.224 O14 Si4 U -","- B8 K14.208 Na9.792 O112 Si32 U8 -","8","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Smith, Mark D.; Williams, Travis; Morrison, Gregory; Lauterbach, Jochen A.; Misture, Scott T.; zur Loye, Hans-Conrad","Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate","Inorganics","2021","9","4","25","","10.3390/inorganics9040025","","","0.71073","MoKα","","0.0376","0.0356","","","0.0678","0.0686","","","","","","1.251","","","","has coordinates","264973","2021-05-05","16:53:27",""
"1562366","8.431","0.003","35.524","0.014","13.404","0.005","90","","99.315","0.004","90","","3962","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H34 F6 N7 O4.5 P Ru -","- C40.5 H34 F6 N7 O4.5 P Ru -","- C162 H136 F24 N28 O18 P4 Ru4 -","4","1","","Shiga, Takuya; Tachibana, Minami; Oshio, Hiroki; Nihei, Masayuki","Synthesis of a Ru(II) Complex with a Naphthoquinone-Annelated Imidazole Ligand Exhibiting Proton-Responsive Redox and Luminescent Behavior","Inorganics","2021","9","4","24","","10.3390/inorganics9040024","","","0.71073","MoKα","","0.1512","0.0773","","","0.1962","0.2437","","","","","","1.032","","","","has coordinates","264974","2021-05-05","16:53:55",""
"1563173","9.3972","0.0002","17.3629","0.0003","12.9511","0.0003","90","","97.019","0.002","90","","2097.3","0.08","300.48","0.1","300.48","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 N4 Ru -","- C16 H22 Cl2 N4 Ru -","- C64 H88 Cl8 N16 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.","Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole","Inorganics","2021","9","5","34","","10.3390/inorganics9050034","","","0.71073","MoKα","","0.034","0.0274","","","0.06","0.0624","","","","","","1.032","","","","has coordinates","266194","2021-06-06","02:14:12",""
"1563174","11.7136","0.0004","10.34","0.0003","17.0882","0.0006","90","","101.06","0.004","90","","2031.26","0.12","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl4 N8 O2 Ru2 -","- C36 H52 Cl4 N8 O2 Ru2 -","- C72 H104 Cl8 N16 O4 Ru4 -","2","0.5","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.","Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole","Inorganics","2021","9","5","34","","10.3390/inorganics9050034","","x-ray","0.71073","MoKα","","0.0348","0.0267","","","0.0591","0.0616","","","","","","1.045","","","","has coordinates","266195","2021-06-06","02:14:59",""
"1563175","6.832","0.0003","18.2051","0.0008","13.6361","0.0005","90","","90","","90","","1696.02","0.12","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 Cl2 N2 Ru -","- C17 H20 Cl2 N2 Ru -","- C68 H80 Cl8 N8 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.","Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole","Inorganics","2021","9","5","34","","10.3390/inorganics9050034","","","0.71073","MoKα","","0.0207","0.0193","","","0.0401","0.0406","","","","","","1.073","","","","has coordinates","266196","2021-06-06","02:15:31",""
"1564427","19.525","0.01","9.546","0.006","20.594","0.013","90","","114.38","0.02","90","","3496","4","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 N2 -","- C50 H34 N2 -","- C200 H136 N8 -","4","1","","Han, Pengbo; Lin, Chengwei; Wang, Kaojin; Qiu, Yanping; Wu, Haozhong; Qin, Anjun; Ma, Dongge; Tang, Ben Zhong","Aggregation-induced emission luminogen with excellent triplet-triplet upconversion efficiency for highly efficient non-doped blue organic light-emitting diodes.","Materials horizons","2022","9","1","376","382","10.1039/d1mh01129d","","","0.71073","MoKα","","0.0593","0.0438","","","0.097","0.1066","","","","","","1.066","","","","has coordinates","272793","2022-02-04","20:05:58",""
"1564545","10.8226","0.0001","10.9399","0.0002","17.3389","0.0003","79.412","0.001","78.905","0.001","86.861","0.001","1979.82","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N3 O7 V -","- C19 H24 N3 O7 V -","- C76 H96 N12 O28 V4 -","4","2","","Sahu, Gurunath; Tiekink, Edward R. T.; Dinda, Rupam","Study of DNA Interaction and Cytotoxicity Activity of Oxidovanadium(V) Complexes with ONO Donor Schiff Base Ligands","Inorganics","2021","9","9","66","","10.3390/inorganics9090066","","","1.54184","CuKα","","0.0257","0.0254","","","0.0718","0.0721","","","","","","1.061","","","","has coordinates","268974","2021-09-06","21:32:28",""
"1564683","8.321","0.003","9.678","0.004","9.879","0.004","94.541","0.006","96.864","0.006","94.634","0.006","784.1","0.5","293.15","","293.15","","","","","","","","","2","P -1","-P 1","2","","TPM","","- C21 H18 -","- C21 H18 -","- C42 H36 -","2","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.081","0.0584","","","0.1754","0.1992","","","","","","1.044","","","","has coordinates","272792","2022-02-04","20:05:49",""
"1564684","8.773","0.004","9.273","0.005","20.333","0.01","90","","90.317","0.008","90","","1654.1","1.4","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TPMBr","","- C21 H17 Br -","- C21 H17 Br -","- C84 H68 Br4 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.0826","0.05","","","0.1061","0.1182","","","","","","1.045","","","","has coordinates","272792","2022-02-04","20:05:49",""
"1564685","31.9","0.03","8.761","0.009","5.796","0.006","90","","90","","90","","1620","3","296","2","296.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C84 H60 F12 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.0769","0.0636","","","0.1387","0.1444","","","","","","1.133","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564686","13.672","0.005","7.976","0.003","16.909","0.006","90","","99.786","0.006","90","","1817.1","1.2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Br F3 -","- C21 H14 Br F3 -","- C84 H56 Br4 F12 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.168","0.0743","","","0.1737","0.2098","","","","","","1.029","","","","has coordinates,has disorder","272792","2022-02-04","20:05:49",""
"1564687","12.88","0.009","8.745","0.006","18.874","0.01","90","","121.39","0.03","90","","1815","2","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br2 -","- C21 H16 Br2 -","- C84 H64 Br8 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.2159","0.1325","","","0.2379","0.2764","","","","","","1.048","","","","has coordinates","272792","2022-02-04","20:05:49",""
"1564688","16.448","0.005","6.0973","0.0019","19.528","0.006","90","","105.073","0.005","90","","1891.1","1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Br2 F3 -","- C21 H13 Br2 F3 -","- C84 H52 Br8 F12 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.1429","0.0685","","","0.1851","0.2271","","","","","","1.031","","","","has coordinates,has disorder","272792","2022-02-04","20:05:49",""
"1564848","23.4161","0.0003","13.2985","0.0001","7.2391","0.0001","90","","90","","90","","2254.25","0.05","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H22 Cu N4 O10 S2 -","- C17 H22 Cu N4 O10 S2 -","- C68 H88 Cu4 N16 O40 S8 -","4","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0322","0.0321","","","0.0821","0.0822","","","","","","1.031","","","","has coordinates","269810","2021-10-06","23:45:26",""
"1564849","11.5109","0.0001","21.0713","0.0002","20.3473","0.0003","90","","98.719","0.001","90","","4878.2","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H24 Cu N2 O8 S2 -","- C22 H24 Cu N2 O8 S2 -","- C176 H192 Cu8 N16 O64 S16 -","8","1","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0309","0.0296","","","0.0851","0.0861","","","","","","1.06","","","","has coordinates","269811","2021-10-06","23:45:48",""
"1564850","8.3226","0.0001","16.3127","0.0002","7.228","0.0001","90","","100.912","0.001","90","","963.56","0.02","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu N2 O12 S2 -","- C14 H20 Cu N2 O12 S2 -","- C28 H40 Cu2 N4 O24 S4 -","2","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0256","0.0254","","","0.0706","0.0707","","","","","","1.076","","","","has coordinates","269812","2021-10-06","23:46:09",""
"1564851","7.141","0.0001","23.8599","0.0004","12.48922","0.00019","90","","90","","90","","2127.96","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H18 Cu N4 O8 S2 -","- C17 H18 Cu N4 O8 S2 -","- C68 H72 Cu4 N16 O32 S8 -","4","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0357","0.0338","","","0.0929","0.0951","","","","","","1.05","","","","has coordinates","269813","2021-10-06","23:46:30",""
"1565020","11.7514","0.0012","17.3977","0.0017","19.925","0.002","102.675","0.006","98.649","0.006","99.031","0.005","3852.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H89 F4 N9 O3 S2 Se2 -","- C83 H89 F4 N9 O3 S2 Se2 -","- C166 H178 F8 N18 O6 S4 Se4 -","2","1","","Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y.","Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors.","Materials horizons","2022","9","1","403","410","10.1039/d1mh01127h","","x-ray","0.71073","MoKα","","0.1415","0.0774","","","0.2064","0.2464","","","","","","1.053","","","","has coordinates,has disorder","272791","2022-02-04","20:05:37",""
"1565021","18.8244","0.0012","29.3244","0.0018","31.439","0.002","90","","95.951","0.003","90","","17261.2","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H99 F4 N9 O3 S2 Se2 -","- C88 H99 F4 N9 O3 S2 Se2 -","- C704 H792 F32 N72 O24 S16 Se16 -","8","1","","Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y.","Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors.","Materials horizons","2022","9","1","403","410","10.1039/d1mh01127h","","x-ray","0.71073","MoKα","","0.1362","0.0702","","","0.1925","0.2391","","","","","","1.03","","","","has coordinates,has disorder","272791","2022-02-04","20:05:38",""
"1565022","13.938","0.001","52.166","0.002","31.942","0.001","90","","99.927","0.003","90","","22877","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H85 F4 N9 O2 S2 Se2 -","- C81 H85 F4 N9 O2 S2 Se2 -","- C972 H1020 F48 N108 O24 S24 Se24 -","12","3","","Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y.","Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors.","Materials horizons","2022","9","1","403","410","10.1039/d1mh01127h","","x-ray","0.71073","MoKα","","0.3045","0.1209","","","0.2666","0.3277","","","","","","1.077","","","","has coordinates","272791","2022-02-04","20:05:38",""
"1565099","9.531","0.003","5.495","0.0006","9.53","0.003","90","","108.848","0.009","90","","472.4","0.2","","","298","","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","1/8PbVO3-7/8BiCrO3","","","- Bi0.875 Cr0.875 O3 Pb0.125 V0.125 -","- Bi0.875 Cr0.875 O3 Pb0.125 V0.125 -","- Bi7 Cr7 O24 Pb V -","8","1","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8BiCrO3-1/8PbVO3 monoclinic phase at room temperature","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270203","2021-11-02","08:30:43",""
"1565100","3.9387","0.0001","3.9387","0.0001","3.9387","0.0001","90","","90","","90","","61.102","0.003","","","973","","","","100","","","","","5","P m -3 m","-P 4 2 3","221","7/8PbVO3-1/8BiCrO3 at 700 C","","","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","1","0.0208333","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 cubic phase at 700 C","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270205","2021-11-02","08:31:47",""
"1565101","3.8484","0.00008","3.8484","0.00008","4.48551","0.00008","90","","90","","90","","66.431","0.002","","","973","","","","100","","","","","5","P 4 m m","P 4 -2","99","7/8PbVO3-1/8BiCrO3 at 700 C","","","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","1","0.125","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 tetragonal phase at 700 C","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270206","2021-11-02","08:32:40",""
"1565102","3.83568","0.00005","3.83568","0.00005","4.449","0.0001","90","","90","","90","","65.4557","0.0019","","","298","","","","100","","","","","5","P 4 m m","P 4 -2","99","7/8PbVO3-1/8BiCrO3","","","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","1","0.125","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 tetragonal phase at room temperature","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270207","2021-11-02","08:33:24",""
"1565122","6.0023","0.0002","8.1084","0.0002","24.3715","0.0005","98.319","0.002","94.455","0.002","92.83","0.002","1167.9","0.05","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C60 H56 S4 -","2","2","","Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo","Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.","Materials horizons","2022","9","1","444","451","10.1039/d1mh01119g","","x-ray","1.54184","CuKα","","0.0722","0.0598","","","0.1628","0.1748","","","","","","1.043","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1565123","6.0173","0.0001","8.1041","0.0002","24.3262","0.0005","98.542","0.002","94.452","0.002","92.932","0.002","1167.2","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C60 H56 S4 -","2","2","","Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo","Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.","Materials horizons","2022","9","1","444","451","10.1039/d1mh01119g","","","1.54184","CuKα","","0.065","0.0622","","","0.1662","0.1684","","","","","","1.09","","","","has coordinates","272790","2022-02-04","20:05:15",""
"1565386","12.661","0.003","12.337","0.002","5.0928","0.0011","90","","90","","90","","795.5","0.3","655","2","655","2","","","","","","","","2","C m m a","-C 2a 2","67","","","","- Al2.69 B50 -","- Al2.686 B50 -","- Al5.372 B100 -","2","0.125","","Zheng, Xu; Yan, Dayu; Yi, Changjiang; Zhu, Jinlong; Zhang, Qinghua; Zhai, Junyi; Ma, Teng; Zhu, Pinwen; Li, Hui; Gu, Lin; Zhao, Yusheng; Yao, Yugui; Shi, Youguo; Yu, Xiaohui; Jin, Changqing","The discovery of a superhard P-type transparent semiconductor: Al<sub>2.69</sub>B<sub>50</sub>.","Materials horizons","2022","9","2","748","755","10.1039/d1mh00975c","","","0.71073","MoKα","","0.0667","0.0555","","","0.1538","0.1633","","","","","","1.028","","","","has coordinates,has disorder","273437","2022-03-04","22:27:56",""
"1565433","8.1464","0.0003","11.8837","0.0004","25.5753","0.0009","83.931","0.001","83.143","0.001","86.209","0.001","2440.85","0.15","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H41 Cl9 N6 -","- C48 H41 Cl9 N6 -","- C96 H82 Cl18 N12 -","2","1","","He, Jian-Li; Tang, Yukun; Zhang, Kai; Zhao, Yue; Lin, Yu-Ching; Hsu, Chih-Kai; Chen, Chia-Hsun; Chiu, Tien-Lung; Lee, Jiun-Haw; Wang, Chuan-Kui; Wu, Chung-Chih; Fan, Jian","An extended π-backbone for highly efficient near-infrared thermally activated delayed fluorescence with enhanced horizontal molecular orientation.","Materials horizons","2022","9","2","772","779","10.1039/d1mh01651b","","","0.71073","MoKα","","0.1306","0.0813","","","0.2098","0.2512","","","","","","1.041","","","","has coordinates,has disorder","273436","2022-03-04","22:27:43",""
"1565826","9.91895","0.00002","9.91895","0.00002","9.91895","0.00002","90","","90","","90","","975.882","0.003","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.56087","AgKα","","0.0224","0.0221","","","0.0595","0.0597","","","","","","1.1","","","","has coordinates","272820","2022-02-06","04:43:17",""
"1565827","9.91895","0.00002","9.91895","0.00002","9.91895","0.00002","90","","90","","90","","975.882","0.003","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.56087","AgKα","","0.019","0.018","","","","0.052","0.022","","","","","1.664","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565828","9.91977","0.00003","9.91977","0.00003","9.91977","0.00003","90","","90","","90","","976.124","0.005","297.2","0.6","297.2","0.6","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.71073","MoKα","","0.0234","0.022","","","0.0577","0.0585","","","","","","1.055","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565829","9.91977","0.00003","9.91977","0.00003","9.91977","0.00003","90","","90","","90","","976.124","0.005","297.2","0.6","297.2","0.6","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.71073","MoKα","","0.02","0.018","","","","0.048","0.019","","","","","1.238","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565830","9.9045","0.00007","9.9045","0.00007","9.9045","0.00007","90","","90","","90","","971.623","0.012","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","","0.434","synchrotron","","0.038","0.0333","","","0.0739","0.0756","","","","","","1.031","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565831","9.9045","0.00007","9.9045","0.00007","9.9045","0.00007","90","","90","","90","","971.623","0.012","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","","0.434","synchrotron","","0.035","0.028","","","","0.052","0.045","","","","","0.966","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565832","7.3775","0.0004","9.3783","0.0006","9.4318","0.0006","61.214","0.002","89.717","0.002","73.611","0.002","542","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Anthracene-DTTCNQ","","- C30 H14 N4 S2 -","- C30 H14 N4 S2 -","- C30 H14 N4 S2 -","1","0.5","","Jiang, Hui; Ye, Jun; Hu, Peng; Zhu, Shengli; Liang, Yanqin; Cui, Zhenduo; Kloc, Christian; Hu, Wenping","Growth direction dependent separate-channel charge transport in the organic weak charge-transfer co-crystal of anthracene-DTTCNQ.","Materials horizons","2022","9","3","1057","1067","10.1039/d1mh01767e","","","0.71073","MoKα","","0.1006","0.0687","","","0.1285","0.1415","","","","","","1.135","","","","has coordinates,has disorder","275077","2022-05-05","20:57:58",""
"1565846","13.44","0.0003","14.3933","0.0003","14.8036","0.0003","84.073","0.001","76.728","0.001","62.777","0.001","2478.47","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cl3 O11 Rb -","- C54 H58 Cl3 O11 Rb -","- C108 H116 Cl6 O22 Rb2 -","2","1","YC5035","Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok","Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)","IUCrJ","2022","9","1","43","48","10.1107/S2052252521010563","","","0.71073","MoKα","","0.0688","0.046","","","0.1194","0.1296","","","","","","1.044","","","","has coordinates","271673","2022-01-01","05:07:03",""
"1565847","13.1773","0.0015","20.344","0.002","22.581","0.003","90","","106.172","0.003","90","","5814","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H53 Cl9 Cs O10 -","- C55 H53 Cl9 Cs O10 -","- C220 H212 Cl36 Cs4 O40 -","4","1","","Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok","Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)","IUCrJ","2022","9","1","43","48","10.1107/S2052252521010563","","","0.71073","MoKα","","0.0736","0.0462","","","0.1205","0.1388","","","","","","1.03","","","","has coordinates,has disorder","271673","2022-01-01","05:07:03",""
"1565848","13.166","0.005","31.338","0.012","14.278","0.005","90","","117.28","0.02","90","","5236","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H55 Cl3 Cs2 O11 -","- C53 H55 Cl3 Cs2 O11 -","- C212 H220 Cl12 Cs8 O44 -","4","1","","Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok","Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)","IUCrJ","2022","9","1","43","48","10.1107/S2052252521010563","","","0.71073","MoKα","","0.0769","0.0488","","","0.1126","0.1295","","","","","","1.031","","","","has coordinates","271673","2022-01-01","05:07:04",""
"1565849","5.9523","0.0012","6.1001","0.0013","10.647","0.0007","77.308","0.01","82.353","0.01","72.64","0.01","359.02","0.11","295","2","295","2","","","0.71","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","FS5200","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","x-ray","0.71073","MoKα","","","","","","","0.1599","","","","","","0.998","","","","has coordinates","271674","2022-01-01","05:07:37",""
"1565850","5.9523","0.0012","6.1001","0.0013","10.647","0.0007","77.308","0.01","82.353","0.01","72.64","0.01","359.02","0.11","295","2","295","2","","","0.71","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","neutron","0.78","neutron","","","","","","","0.1651","","","","","","0.9999","","","","has coordinates","271674","2022-01-01","05:07:38",""
"1565851","5.9523","","6.1001","","10.647","","77.308","","82.353","","72.64","","359.016","","295","2","","","","","","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","","","","","","","","","","0.1756","","","","","","1.06","","","","has coordinates","271674","2022-01-01","05:07:38",""
"1565852","5.9523","","6.1001","","10.647","","77.308","","82.353","","72.64","","359.016","","295","2","","","","","","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","","","","","","","","","","0.1585","","","","","","1.17","","","","has coordinates","271674","2022-01-01","05:07:38",""
"1565853","16.252","0.0005","23.5373","0.0007","17.2102","0.0004","90","","101.773","0.003","90","","6444.9","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C73 H100 O6 -","- C73 H100 O6 -","- C292 H400 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.1357","0.0655","","","0.1662","0.207","","","","","","1.042","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565854","9.59","0.0006","18.199","0.007","18.547","0.008","114.31","0.04","91.36","0.02","91.7","0.02","2946","2","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 O6 -","- C66 H84 O6 -","- C132 H168 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.2318","0.1556","","","0.3923","0.4401","","","","","","1.19","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565855","13.8727","0.0006","16.0717","0.0006","17.6177","0.0006","77.127","0.003","66.915","0.004","76.404","0.003","3474.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 Cl8 O6 -","- C70 H92 Cl8 O6 -","- C140 H184 Cl16 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0851","0.0724","","","0.2037","0.2218","","","","","","1.025","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565856","12.261","0.0007","17.2425","0.0011","17.417","0.0012","118.625","0.007","92.647","0.005","98.062","0.005","3172.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H88 Cl4 O6 -","- C68 H88 Cl4 O6 -","- C136 H176 Cl8 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","","1.54184","CuKα","","0.0638","0.0508","","","0.1299","0.1415","","","","","","1.02","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565857","13.5391","0.0008","14.7702","0.0006","19.045","0.001","80.68","0.004","72.393","0.005","78.191","0.004","3532.8","0.3","100","0.12","100","0.12","","","","","","","","3","P -1","-P 1","2","","","","- C84 H102 O6 -","- C84 H102 O6 -","- C168 H204 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0611","0.0464","","","0.124","0.1309","","","","","","0.988","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565858","17.8792","0.001","19.6559","0.0015","18.9669","0.001","90","","96.732","0.005","90","","6619.6","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H90 Cl6 O6 -","- C69 H90 Cl6 O6 -","- C276 H360 Cl24 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","","0.71073","MoKα","","0.1896","0.1189","","","0.29","0.3347","","","","","","1.057","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565859","17.2109","0.0004","18.2986","0.0004","19.6172","0.0004","90","","94.521","0.002","90","","6158.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H96 O6 -","- C72 H96 O6 -","- C288 H384 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0966","0.0652","","","0.1866","0.1971","","","","","","1.052","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565860","17.1817","0.0006","18.7393","0.0006","19.4157","0.0006","90","","95.843","0.003","90","","6218.9","0.4","100.01","0.11","100.01","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73 H92 O6 -","- C73 H92 O6 -","- C292 H368 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0777","0.0651","","","0.1607","0.1671","","","","","","1.234","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565861","17.0366","0.0003","18.4996","0.0003","19.762","0.0003","90","","94.288","0.002","90","","6210.96","0.18","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C69 H90 O8 -","- C69 H90 O8 -","- C276 H360 O32 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.1012","0.0827","","","0.2231","0.2383","","","","","","1.065","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565862","17.1261","0.0004","17.8832","0.0004","19.8489","0.0005","90","","93.914","0.002","90","","6064.9","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C70 H92 O7 -","- C70 H92 O7 -","- C280 H368 O28 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.106","0.0792","","","0.2215","0.242","","","","","","1.076","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565863","14.1349","0.0008","16.1763","0.0011","17.0355","0.001","83.979","0.005","72.392","0.005","73.292","0.005","3555.3","0.4","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H92 O7 -","- C73 H92 O7 -","- C146 H184 O14 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","0.71073","MoKα","","0.2133","0.1429","","","0.3812","0.4373","","","","","","1.356","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565864","7.0651","0.0002","8.7859","0.0002","10.0906","0.0002","90","","90","","90","","626.36","0.03","300","0.1","300","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","LT5042","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0893","0.0913","","","","","","1.098","","","","has coordinates","271676","2022-01-01","05:13:58",""
"1565865","7.0604","0.0002","8.78","0.0002","10.0712","0.0002","90","","90","","90","","624.32","0.03","275","0.1","275","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0346","0.033","","","0.0834","0.0848","","","","","","1.056","","","","has coordinates","271676","2022-01-01","05:13:58",""
"1565866","7.0533","0.0002","8.7742","0.0002","10.0552","0.0002","90","","90","","90","","622.29","0.03","250","0.1","250","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0338","0.0325","","","0.0849","0.086","","","","","","1.084","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565867","7.0476","0.0002","8.7682","0.0002","10.0363","0.0002","90","","90","","90","","620.19","0.03","225","0.1","225","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.033","0.032","","","0.0838","0.0846","","","","","","1.115","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565868","7.0422","0.0002","8.7617","0.0002","10.0158","0.0002","90","","90","","90","","617.99","0.03","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0314","0.0304","","","0.0789","0.0797","","","","","","1.072","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565869","7.0473","0.0002","8.7636","0.0002","10.0299","0.0002","90","","90","","90","","619.44","0.03","190","0.1","190","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0354","0.0344","","","0.0903","0.0911","","","","","","1.086","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565870","7.0342","0.0001","8.7569","0.0002","10.0049","0.0002","90","","90","","90","","616.28","0.02","175","0.1","175","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0309","0.0302","","","0.0767","0.0772","","","","","","1.056","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565871","7.0336","0.0002","8.7575","0.0002","10.0065","0.0002","90","","90","","90","","616.37","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.079","0.0797","","","","","","1.067","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565872","7.0291","0.0001","8.7539","0.0001","9.9932","0.0002","90","","90","","90","","614.902","0.017","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.078","0.0783","","","","","","1.066","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565873","7.0245","0.0001","8.7517","0.0001","9.9817","0.0002","90","","90","","90","","613.638","0.017","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0295","0.0292","","","0.0741","0.0743","","","","","","1.074","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565874","7.0753","0.0007","8.7825","0.0007","10.099","0.01","90","","90","","90","","627.5","0.6","296","","296","","","","100","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.062","0.0318","","","0.0518","0.061","","","","","","1.038","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565875","6.934","0.0005","8.7568","0.0006","10.029","0.007","90","","90","","90","","609","0.4","296","2","296","","","","120000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0572","0.0297","","","0.0516","0.0586","","","","","","1.034","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565876","10.697","0.004","6.2545","0.0007","8.8012","0.001","90","","90","","90","","588.8","0.2","296","2","296","","","","240000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0495","0.0249","","","0.0378","0.0431","","","","","","1.081","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565877","10.654","0.003","6.1954","0.0006","8.7823","0.0008","90","","90","","90","","579.68","0.18","296","2","296","","","","490000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0567","0.0292","","","0.0565","0.0659","","","","","","1.135","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565878","7.0542","0.0004","8.7774","0.0014","10.1041","0.0005","90","","90","","90","","625.62","0.11","296","2","296","","","","90000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0636","0.0359","","","0.0735","0.0835","","","","","","1.058","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565879","7.0733","0.0006","8.7965","0.0006","10.042","0.008","90","","90","","90","","624.8","0.5","296","2","296","","","","100000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0613","0.0339","","","0.0493","0.0555","","","","","","1.11","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565880","6.9987","0.0003","8.774","0.0015","10.0863","0.0009","90","","90","","90","","619.37","0.12","296","2","296","","","","170000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0812","0.0904","","","","","","1.087","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565881","7.005","0.002","8.7554","0.0018","10.086","0.002","90","","90","","90","","618.6","0.2","296","2","296","","","","180000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.2367","0.143","","","0.3439","0.4295","","","","","","1.156","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565882","7.0156","0.0018","8.7539","0.0008","10.0529","0.0013","90","","90","","90","","617.39","0.19","296","2","296","","","","200000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.1692","0.0617","","","0.0957","0.1228","","","","","","1.002","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565883","6.9235","0.0013","8.7578","0.0005","10.0265","0.0011","90","","90","","90","","607.95","0.14","296","2","296","","","","300000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0665","0.0425","","","0.0741","0.0811","","","","","","1.078","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565884","10.668","0.002","6.2042","0.0007","8.78","0.004","90","","90","","90","","581.1","0.3","296","2","296","2","","","540000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0693","0.0382","","","0.0817","0.094","","","","","","1.082","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565885","7.878","0.012","13.2446","0.0015","5.7134","0.0011","90","","101.14","0.06","90","","584.9","0.9","296","2","296","","","","170000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0768","0.0349","","","0.0713","0.0844","","","","","","1.129","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565886","7.885","0.006","13.2116","0.0006","5.6949","0.0003","90","","101.2","0.02","90","","582","0.4","296","2","296","","","","200000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0288","0.0207","","","0.0477","0.0509","","","","","","1.1","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565887","7.864","0.004","13.1668","0.0006","5.6843","0.0004","90","","101.159","0.016","90","","577.4","0.3","296","2","296","","","","250000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","","0.71073","MoKα","","0.0777","0.034","","","0.057","0.0665","","","","","","1.158","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565888","7.824","0.008","13.1476","0.0008","5.6603","0.0006","90","","101.05","0.04","90","","571.5","0.6","296","2","296","","","","330000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0996","0.0598","","","0.1455","0.1766","","","","","","1.077","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565889","7.824","0.004","13.0789","0.0006","5.629","0.0004","90","","100.793","0.019","90","","565.8","0.3","296","2","296","","","","400000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.076","0.0619","","","0.1476","0.1578","","","","","","1.08","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565890","7.836","0.002","12.9703","0.0012","5.5885","0.0005","90","","100.542","0.016","90","","558.4","0.16","296","2","296","","","","480000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0932","0.0544","","","0.0953","0.1117","","","","","","1.043","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565891","7.808","0.006","12.9522","0.0008","5.5722","0.0004","90","","100.54","0.02","90","","554","0.4","296","2","296","","","","550000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0337","0.0222","","","0.0441","0.048","","","","","","1.098","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565892","7.756","0.005","12.7163","0.0005","5.468","0.0003","90","","100.006","0.018","90","","531.1","0.3","296","2","296","","","","800000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0607","0.0538","","","0.128","0.1326","","","","","","1.13","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565934","6.8611","0.0006","7.6716","0.0006","7.6014","0.0007","90","","117.787","0.012","90","","353.97","0.07","15","2","15","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0266","0.023","","","0.0547","0.0577","","","","","","1.112","","","","has coordinates","273468","2022-03-06","04:38:15",""
"1565935","6.856","0.0009","7.6675","0.0008","7.6008","0.001","90","","117.821","0.017","90","","353.38","0.09","30","2","30","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0588","0.0505","","","0.1202","0.1267","","","","","","1.051","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565936","6.8648","0.001","7.6684","0.001","7.6055","0.001","90","","117.792","0.01","90","","354.18","0.09","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0156","0.0148","","","0.0423","0.0426","","","","","","1.206","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565937","6.8717","0.001","7.6629","0.001","7.6098","0.001","90","","117.833","0.01","90","","354.35","0.09","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.016","0.0151","","","0.0435","0.0438","","","","","","1.232","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565938","6.8815","0.001","7.6534","0.001","7.6172","0.001","90","","117.884","0.01","90","","354.6","0.09","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0167","0.0156","","","0.0444","0.0448","","","","","","1.202","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565939","6.8937","0.001","7.6466","0.001","7.6275","0.001","90","","117.943","0.01","90","","355.2","0.09","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0163","0.0151","","","0.044","0.0445","","","","","","1.2","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565940","6.907","0.001","7.6356","0.001","7.6373","0.001","90","","118.021","0.01","90","","355.57","0.09","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0166","0.0157","","","0.0454","0.0457","","","","","","1.211","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565941","6.9227","0.001","7.6212","0.001","7.6488","0.001","90","","118.112","0.01","90","","355.94","0.09","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0185","0.0172","","","0.048","0.0484","","","","","","1.18","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565942","7.0304","0.0008","7.5789","0.0006","7.7374","0.0008","90","","118.314","0.014","90","","362.95","0.08","45","2","45","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0177","0.0172","","","0.042","0.0424","","","","","","1.121","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565943","7.032","0.0008","7.5783","0.0006","7.7396","0.0008","90","","118.328","0.014","90","","363.06","0.08","60","2","60","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0188","0.0177","","","0.0424","0.0436","","","","","","1.094","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565944","7.0337","0.0009","7.5789","0.0007","7.7406","0.0009","90","","118.325","0.016","90","","363.23","0.09","75","2","75","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.02","0.0187","","","0.0501","0.0516","","","","","","1.12","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565945","7.0404","0.001","7.5756","0.001","7.745","0.001","90","","118.368","0.01","90","","363.48","0.09","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0129","0.0127","","","0.0321","0.0322","","","","","","1.193","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565946","7.0482","0.001","7.5706","0.001","7.7498","0.001","90","","118.404","0.01","90","","363.74","0.09","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.013","0.0128","","","0.0331","0.0332","","","","","","1.182","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565947","7.058","0.001","7.5663","0.001","7.7576","0.001","90","","118.454","0.01","90","","364.23","0.09","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0131","0.0128","","","0.0337","0.0338","","","","","","1.168","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565948","7.0696","0.001","7.562","0.001","7.7669","0.001","90","","118.515","0.01","90","","364.85","0.09","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0134","0.0132","","","0.0352","0.0353","","","","","","1.146","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565949","7.0802","0.001","7.5565","0.001","7.7755","0.001","90","","118.579","0.01","90","","365.31","0.09","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.014","0.0137","","","0.0358","0.036","","","","","","1.101","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565950","7.0923","0.001","7.5523","0.001","7.7848","0.001","90","","118.648","0.01","90","","365.93","0.09","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.015","0.0146","","","0.0377","0.0379","","","","","","1.128","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565951","6.9143","0.001","7.629","0.0008","7.5815","0.001","90","","118.191","0.016","90","","352.48","0.09","15","2","15","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0331","0.0269","","","0.0593","0.065","","","","","","1.146","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565952","6.9142","0.001","7.6267","0.0008","7.581","0.001","90","","118.179","0.016","90","","352.38","0.09","30","2","30","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0337","0.0285","","","0.0584","0.0617","","","","","","1.113","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565953","6.9295","0.001","7.6205","0.001","7.5982","0.001","90","","118.381","0.01","90","","353.01","0.09","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0118","0.0116","","","0.0284","0.0284","","","","","","1.147","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565954","6.9354","0.001","7.6179","0.001","7.6043","0.001","90","","118.397","0.01","90","","353.42","0.09","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.012","0.0118","","","0.0294","0.0295","","","","","","1.139","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565955","6.9432","0.001","7.6126","0.001","7.6107","0.001","90","","118.441","0.01","90","","353.72","0.09","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0119","0.0117","","","0.0298","0.0299","","","","","","1.135","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565956","6.9526","0.001","7.6051","0.001","7.6184","0.001","90","","118.497","0.01","90","","354.02","0.09","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0123","0.0122","","","0.0318","0.0319","","","","","","1.161","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565957","6.9641","0.001","7.599","0.001","7.6275","0.001","90","","118.553","0.01","90","","354.56","0.09","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0124","0.0121","","","0.0317","0.0319","","","","","","1.16","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565958","6.9765","0.001","7.5904","0.001","7.6373","0.001","90","","118.616","0.01","90","","355.03","0.09","313","2","313","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0124","0.0122","","","0.033","0.033","","","","","","1.207","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565959","6.7979","0.0011","7.6403","0.0009","7.4489","0.0012","90","","117.51","0.02","90","","343.14","0.11","15","2","15","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.028","0.026","","","0.0641","0.0661","","","","","","1.107","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565960","6.7999","0.0008","7.6222","0.0006","7.4405","0.0009","90","","117.579","0.015","90","","341.82","0.08","45","2","45","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0212","0.0199","","","0.0501","0.0513","","","","","","1.106","","","","has coordinates","273468","2022-03-06","04:38:20",""
"1565961","6.8026","0.0009","7.6191","0.0007","7.445","0.001","90","","117.611","0.017","90","","341.93","0.09","75","2","75","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0227","0.0209","","","0.0509","0.052","","","","","","1.12","","","","has coordinates","273468","2022-03-06","04:38:24",""
"1565962","6.8037","0.001","7.6178","0.001","7.4371","0.001","90","","117.58","0.01","90","","341.66","0.09","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0166","0.0161","","","0.0419","0.0422","","","","","","1.123","","","","has coordinates","273468","2022-03-06","04:38:24",""
"1565963","6.8069","0.001","7.6152","0.001","7.4398","0.001","90","","117.597","0.01","90","","341.77","0.09","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0161","0.0155","","","0.0409","0.0413","","","","","","1.11","","","","has coordinates","273468","2022-03-06","04:38:27",""
"1565964","6.8115","0.001","7.6122","0.001","7.4444","0.001","90","","117.629","0.01","90","","341.98","0.09","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0167","0.016","","","0.0416","0.042","","","","","","1.118","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1565965","6.8176","0.001","7.6098","0.001","7.4513","0.001","90","","117.676","0.01","90","","342.35","0.09","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0172","0.0163","","","0.0433","0.0437","","","","","","1.128","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1565966","6.8252","0.001","7.607","0.001","7.4587","0.001","90","","117.724","0.01","90","","342.79","0.09","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0162","0.0154","","","0.0408","0.0411","","","","","","1.127","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1565967","6.8332","0.001","7.6026","0.001","7.4669","0.001","90","","117.776","0.01","90","","343.21","0.09","313","2","313","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0166","0.0159","","","0.0416","0.0419","","","","","","1.133","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1566113","13.3376","0.00016","15.8984","0.00019","16.7118","0.0002","86.2207","0.001","87.3777","0.001","69.0861","0.0011","3302.08","0.07","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H67 N2 O -","- C75 H65 N2 O -","- C150 H130 N4 O2 -","2","1","","Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli","Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units.","Materials horizons","2022","9","3","1068","1080","10.1039/d1mh01383a","","","1.54184","CuKα","","0.1545","0.151","","","0.5146","0.5275","","","","","","2.941","","","","has coordinates","275078","2022-05-05","20:58:09",""
"1566114","8.24799","0.00012","14.1901","0.00018","28.3417","0.0004","90","","90.5962","0.0013","90","","3316.93","0.08","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 N -","- C45 H41 N -","- C180 H164 N4 -","4","1","","Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli","Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units.","Materials horizons","2022","9","3","1068","1080","10.1039/d1mh01383a","","","1.54184","CuKα","","0.0463","0.0424","","","0.1157","0.1187","","","","","","0.996","","","","has coordinates","275078","2022-05-05","20:58:10",""
"1566127","17.6182","0.0008","9.1333","0.0004","9.4921","0.0004","90","","96.532","0.002","90","","1517.48","0.12","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Mn1.25 O5 P -","- H2 Mn1.25 O5 P -","- H32 Mn20 O80 P16 -","16","2","","Deng, Mingxia; Liu, Weijing; Liu, Qian; Sun, Du; Huang, Fuqiang","A new compound Mn5P4O20H8 achieving efficient heavy metal removal to the ppb level through a dual chemisorption–ion exchange pathway","Environmental Science: Nano","2022","9","3","1146","1155","10.1039/D1EN00928A","","","0.71073","MoKα","","0.0235","0.0214","","","0.0591","0.0603","","","","","","1.003","","","","has coordinates","275079","2022-05-05","20:58:24",""
"1566428","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","2","23","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0287","0.0283","","","0.0633","0.0633","","","","","","2.281","","","","has coordinates","273207","2022-03-02","03:20:35",""
"1566429","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0304","0.0285","","","0.0635","0.0637","","","","","","2.25","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566430","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0189","","","0.0315","0.0317","","","","","","1.128","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566431","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0203","0.0184","","","0.0304","0.0306","","","","","","1.0897","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566432","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.0191","","","0.0321","0.0324","","","","","","1.1517","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566433","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0187","","","0.031","0.0312","","","","","","1.1103","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566434","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0203","0.0185","","","0.0303","0.0306","","","","","","1.088","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566435","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0187","0.0183","","","0.03","0.0301","","","","","","1.093","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566436","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0205","0.0187","","","0.0308","0.031","","","","","","1.105","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566437","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.0318","0.032","","","","","","1.141","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566438","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0189","","","0.0313","0.0316","","","","","","1.124","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566439","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0213","0.0194","","","0.0329","0.0331","","","","","","1.179","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566440","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0208","0.0189","","","0.0314","0.0317","","","","","","1.128","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566441","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0205","0.0187","","","0.0309","0.0311","","","","","","1.109","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566442","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0188","","","0.0312","0.0314","","","","","","1.117","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566443","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0187","","","0.031","0.0312","","","","","","1.112","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566444","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0202","0.0183","","","0.0301","0.0303","","","","","","1.078","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566445","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0188","","","0.0312","0.0314","","","","","","1.118","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566446","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.032","0.0322","","","","","","1.147","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566447","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0188","","","0.0312","0.0314","","","","","","1.117","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566448","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.0318","0.032","","","","","","1.14","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566449","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.0191","","","0.0319","0.0322","","","","","","1.145","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566450","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0397","0.0406","","","","","","1.4968","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566451","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0398","0.0407","","","","","","1.5005","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566452","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.04","0.0409","","","","","","1.508","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566453","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0396","0.0405","","","","","","1.4948","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566454","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0341","","","0.0394","0.0403","","","","","","1.487","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566456","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0398","0.0407","","","","","","1.502","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566457","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0484","0.0344","","","0.0399","0.0408","","","","","","1.505","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566458","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566459","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0486","0.0346","","","0.0402","0.0411","","","","","","1.516","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566460","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566461","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0482","0.0343","","","0.0397","0.0406","","","","","","1.496","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566462","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0482","0.0343","","","0.0396","0.0405","","","","","","1.494","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566463","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0397","0.0406","","","","","","1.497","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566464","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0341","","","0.0395","0.0404","","","","","","1.49","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566465","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566466","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","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","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0485","0.0346","","","0.0403","0.0412","","","","","","1.52","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566467","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0169","0.0151","","","0.0304","0.0305","","","","","","2.6817","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566468","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0166","0.0148","","","0.029","0.0291","","","","","","2.5592","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566469","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0171","0.0153","","","0.0311","0.0311","","","","","","2.7402","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566470","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0166","0.0148","","","0.0295","0.0296","","","","","","2.5998","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566471","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0166","0.0148","","","0.0284","0.0285","","","","","","2.504","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566472","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0147","0.0147","","","0.0284","0.0284","","","","","","2.6","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566473","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0171","0.0153","","","0.0302","0.0303","","","","","","2.662","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566474","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0178","0.016","","","0.0318","0.0319","","","","","","2.807","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566475","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0172","0.0154","","","0.0302","0.0303","","","","","","2.667","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566476","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0181","0.0163","","","0.0325","0.0326","","","","","","2.868","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566477","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0173","0.0155","","","0.0305","0.0305","","","","","","2.687","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566478","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0169","0.0151","","","0.0293","0.0294","","","","","","2.585","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566479","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0172","0.0153","","","0.0299","0.03","","","","","","2.638","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566480","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.017","0.0152","","","0.0295","0.0296","","","","","","2.603","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566481","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0164","0.0145","","","0.0277","0.0278","","","","","","2.448","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566482","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0173","0.0155","","","0.0306","0.0307","","","","","","2.699","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566483","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0181","0.0163","","","0.033","0.0331","","","","","","2.914","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566484","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0157","0.0126","","","0.0211","0.0218","","","","","","0.6903","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566485","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0154","0.0123","","","0.0205","0.0212","","","","","","0.6735","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566486","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0159","0.0127","","","0.0215","0.0222","","","","","","0.7026","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566487","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0155","0.0123","","","0.0207","0.0214","","","","","","0.6794","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566488","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0156","0.0124","","","0.0207","0.0214","","","","","","0.68","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566489","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0164","0.0133","","","0.0222","0.0228","","","","","","0.726","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566490","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0158","0.0126","","","0.0213","0.022","","","","","","0.697","","","","has coordinates","273207","2022-03-02","03:20:37",""
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"1566510","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0141","","","0.0179","0.0179","","","","","","1.937","","","","has coordinates","273207","2022-03-02","03:20:38",""
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"1566512","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0142","","","0.0181","0.0182","","","","","","1.952","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566513","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0294","0.0149","","","0.0195","0.0196","","","","","","2.099","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566514","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0288","0.0142","","","0.0183","0.0183","","","","","","1.975","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566515","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0285","0.014","","","0.0178","0.0178","","","","","","1.915","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566516","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0286","0.014","","","0.018","0.018","","","","","","1.929","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566517","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0286","0.014","","","0.0179","0.0179","","","","","","1.924","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566518","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0284","0.0138","","","0.0176","0.0176","","","","","","1.886","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566519","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0142","","","0.0181","0.0181","","","","","","1.957","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566520","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0292","0.0146","","","0.0196","0.0196","","","","","","2.125","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566581","33.3132","0.0005","14.4948","0.0002","31.7714","0.0005","90","","102.245","0.002","90","","14992.4","0.4","100","0.1","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68.39 H67.65 Cl6 N12 O4 Zn3 -","- C68.3618 H66.5897 Cl6 N12 O4 Zn3 -","- C546.894 H532.718 Cl48 N96 O32 Zn24 -","8","1","LT5046","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.54184","CuKα","","0.1001","0.086","","","0.2275","0.2347","","","","","","1.088","","","","has coordinates,has disorder","273583","2022-03-10","03:10:39",""
"1566582","33.306","0.0013","14.488","0.0004","31.8026","0.0011","90","","102.247","0.004","90","","14996.7","0.9","100.01","0.1","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68.62 H68.92 Cl6 N12 O4 Zn3 -","- C68.774 H69.234 Cl6 N12 O4 Zn3 -","- C550.192 H553.872 Cl48 N96 O32 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.39222","CuKβ","","0.1257","0.0738","","","0.1901","0.254","","","","","","1.049","","","","has coordinates,has disorder","273583","2022-03-10","03:10:43",""
"1566583","34.4866","0.0013","14.9746","0.0006","31.0009","0.0012","90","","101.933","0.004","90","","15663.6","1.1","100","0.1","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H43 I6 N12 O4 Zn3 -","- C54.5 H43 I6 N12 O4 Zn3 -","- C436 H344 I48 N96 O32 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.54184","CuKα","","0.1393","0.1227","","","0.3415","0.3555","","","","","","1.066","","","","has coordinates,has disorder","273583","2022-03-10","03:10:45",""
"1566584","34.4862","0.0008","15.0052","0.0004","31.125","0.0007","90","","101.958","0.002","90","","15756.8","0.7","100.01","0.1","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H42 I6 N12 O4 Zn3 -","- C54.9998 H41.9996 I6 N12 O4 Zn3 -","- C439.998 H335.997 I48 N96 O32 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.39222","CuKβ","","0.1783","0.1233","","","0.3944","0.4217","","","","","","1.165","","","","has coordinates,has disorder","273583","2022-03-10","03:10:48",""
"1566585","34.5713","0.0005","15.1587","0.0003","29.5198","0.0005","90","","100.649","0.0014","90","","15203.6","0.5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H78 I6 N12 Zn3 -","- C63 H78 I6 N12 Zn3 -","- C504 H624 I48 N96 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.54184","CuKα","","0.1024","0.0942","","","0.2452","0.2507","","","","","","1.09","","","","has coordinates,has disorder","273583","2022-03-10","03:10:49",""
"1566586","34.595","0.0006","15.1725","0.0003","29.535","0.0004","90","","100.647","0.0015","90","","15235.8","0.5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.69 H81.39 I6 N12 Zn3 -","- C64.692 H81.384 I6 N12 Zn3 -","- C517.536 H651.072 I48 N96 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.39222","","","0.1111","0.0869","","","0.1699","0.1796","","","","","","1.167","","","","has coordinates,has disorder","273583","2022-03-10","03:10:49",""
"1566610","10.9208","0.0004","10.9208","0.0004","6.1774","0.0003","90","","90","","120","","638.04","0.05","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","[K3Cl][Mn2Ga6S12]","","","- Cl Ga6 K3 Mn2 S12 -","- Cl Ga6 K3 Mn2 S12 -","- Cl Ga6 K3 Mn2 S12 -","1","0.166667","","Liu, Bin-Wen; Pei, Shao-Min; Jiang, Xiao-Ming; Guo, Guo-Cong","Broad transparency and wide band gap achieved in a magnetic infrared nonlinear optical chalcogenide by suppressing d-d transitions.","Materials horizons","2022","9","5","1513","1517","10.1039/d2mh00060a","","","0.71073","MoKα","","0.0364","0.0358","","","0.096","0.0962","","","","","","1.096","","","","has coordinates","275835","2022-06-06","02:08:12",""
"1566920","10.891","0.0007","11.4276","0.0008","11.5284","0.0009","116.793","0.007","90.271","0.006","101.247","0.006","1249.11","0.18","300","","300","","","","","","","","","3","P -1","-P 1","2","","(Z)-1,2-bis(3,4-dimethoxyphenyl)-1,2-diphenylethene","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi","Underwater luminescent labeling materials constructed from a supramolecular approach.","Materials horizons","2022","9","7","1984","1991","10.1039/d2mh00211f","","x-ray","1.54184","CuKα","","0.0718","0.0526","","","0.1301","0.1487","","","","","","1.009","","","","has coordinates","276678","2022-07-06","08:39:42",""
"1566921","7.8756","0.0005","11.8787","0.0007","13.8525","0.0008","84.512","0.002","84.625","0.002","71.646","0.002","1221.59","0.13","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi","Underwater luminescent labeling materials constructed from a supramolecular approach.","Materials horizons","2022","9","7","1984","1991","10.1039/d2mh00211f","","","1.54178","CuKα","","0.0504","0.0481","","","0.1239","0.1259","","","","","","1.032","","","","has coordinates","276678","2022-07-06","08:39:54",""
"1566971","13.6961","0.0012","3.76836","0.00013","28.7891","0.0032","90","","105.163","0.012","90","","1434.1","0.2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone Model A from Rietveld refinement Attention! This is a wrong structural model, which fits well to the powder data, fits well to the pair-distribution function, behaves well in lattice-energy minimisations, and agrees with solid-state NMR data. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model A","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C80 H40 F8 N8 O8 -","4","1","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.00951","","","","","","","","4.045","","","","","","","has coordinates","287932","2023-12-01","13:54:32",""
"1566972","14.2172","0.0015","3.76778","0.00016","13.7038","0.0013","90","","102.504","0.012","90","","716.66","0.11","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone from Rietveld refinement Remark: This is the correct structural model. The model which fits well to the powder data, fits well to the pair-distribution function, has the lowest energy in lattice-energy minimisations, and agrees with solid-state NMR data. Three wrong structural models are deposited in the CSD as well. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model A","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C40 H20 F4 N4 O4 -","2","0.5","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.01504","","","","","","","","5.275","","","","","","","has coordinates","287932","2023-12-01","13:54:42",""
"1566973","3.8854","0.00045","7.0333","0.001","14.1014","0.0029","102.713","0.016","86.084","0.014","105.939","0.016","361.44","0.11","300","","300","","","","","","","","","5","P -1","-P 1","2","4,11-Difluoro-quinacridone Model C from Rietveld refinement Attention! This is a wrong structural model, which fits quite well to the powder data, fits well to the pair-distribution function, and agrees with solid-state NMR data, but has an unfavourable lattice energy. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model A","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","1","0.5","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.01941","","","","","","","","7.768","","","","","","","has coordinates","287932","2023-12-01","13:54:57",""
"1566974","14.3352","0.0024","3.77265","0.00033","27.374","0.0041","90","","103.686","0.023","90","","1438.4","0.4","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone Model D from Rietveld refinement Attention! This is a wrong structural model, which fits quite well to the powder data, fits well to the pair-distribution function, but does not agree with solid-state NMR data, and has an unfavourable lattice energy. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model D","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C80 H40 F8 N8 O8 -","4","1","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.01734","","","","","","","","6.786","","","","","","","has coordinates","287932","2023-12-01","13:55:02",""
"1566975","14.166","0.017","3.758","0.003","13.762","0.014","90","","103.09","0.15","90","","713.6","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone (Structural model B) Structure refined by fit to the pair-distribution function","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C40 H20 F4 N4 O4 -","2","0.5","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","x-ray","0.1631","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","287932","2023-12-01","13:55:12",""
"1567020","7.2378","0.0004","7.7475","0.0004","17.8746","0.0012","83.578","0.005","83.241","0.005","67.104","0.005","914.53","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Br3 N10 -","- C36 H22 Br3 N10 -","- C36 H22 Br3 N10 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0723","0.0659","","","","0.215","","","","","","1.055","","","","has coordinates","299904","2025-06-02","18:21:22",""
"1567021","13.2712","0.0006","12.5807","0.0005","7.7388","0.0005","90","","90.466","0.004","90","","1292.03","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H10 N9 -","- C31 H10 N9 -","- C62 H20 N18 -","2","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1794","0.136","","","","0.3914","","","","","","1.064","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567022","13.3766","0.0002","12.8023","0.0002","7.7861","0.0001","90","","90.396","0.001","90","","1333.35","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H10 N9 -","- C31 H10 N9 -","- C62 H20 N18 -","2","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.086","0.0801","","","","0.2436","","","","","","1.063","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567023","7.168","0.0004","7.6291","0.0004","13.6797","0.0008","78.422","0.005","83.441","0.005","69.68","0.005","686.44","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H15 I N9 -","- C30 H15 I N9 -","- C30 H15 I N9 -","1","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0424","0.0421","","","","0.1145","","","","","","1.032","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567024","8.0361","0.0003","13.0398","0.0003","14.2071","0.0004","92.624","0.002","98.576","0.002","104.767","0.003","1418","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H16 Br2 N9 -","- C31 H16 Br2 N9 -","- C62 H32 Br4 N18 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0456","0.0416","","","","0.1124","","","","","","0.778","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567025","13.0864","0.0002","25.3377","0.0004","7.8403","0.0001","90","","92.651","0.001","90","","2596.9","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H17 N9 -","- C31 H17 N9 -","- C124 H68 N36 -","4","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0533","0.0468","","","","0.1416","","","","","","0.929","","","","has coordinates,has disorder","275679","2022-05-28","02:04:38",""
"1567026","7.8212","0.0005","9.7542","0.0007","13.2653","0.0007","78.103","0.005","75.829","0.005","82.246","0.005","956.32","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N14 -","- C48 H26 N14 -","- C48 H26 N14 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0765","0.0686","","","","0.2069","","","","","","0.928","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567027","7.5693","0.0003","13.03","0.0003","18.5239","0.0005","105.159","0.002","90.971","0.003","98.382","0.003","1741.66","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Br2 I N10 -","- C36 H22 Br2 I N10 -","- C72 H44 Br4 I2 N20 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0414","0.0381","","","","0.1125","","","","","","0.898","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567028","6.6911","0.0002","7.8201","0.0003","27.6491","0.0006","97.673","0.002","90.168","0.002","108.973","0.003","1354.23","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H14 Br2 N9 -","- C30 H14 Br2 N9 -","- C60 H28 Br4 N18 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0472","0.0434","","","","0.1177","","","","","","1.042","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567029","7.7274","0.0004","13.1422","0.0006","13.3145","0.0006","99.902","0.004","106.251","0.005","97.225","0.004","1256.99","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H16 N9 -","- C30 H16 N9 -","- C60 H32 N18 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0925","0.0815","","","","0.238","","","","","","1.699","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567030","7.2867","0.0005","7.7545","0.0004","13.1305","0.0007","92.616","0.005","103.414","0.005","113.979","0.006","651.19","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H8 N9 -","- C29 H8 N9 -","- C29 H8 N9 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1347","0.1198","","","","0.3926","","","","","","1.558","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567031","7.1249","0.0013","7.6572","0.0013","14.4249","0.001","89.017","0.01","83.589","0.012","68.34","0.017","726.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H16 N10 -","- C36 H16 N10 -","- C36 H16 N10 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1394","0.1281","","","","0.3816","","","","","","1.481","","","","has coordinates,has disorder","275679","2022-05-28","02:04:39",""
"1567032","7.2179","0.001","7.6887","0.0014","14.5445","0.0013","89.176","0.01","82.57","0.009","69.284","0.014","748.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H16 N10 -","- C36 H16 N10 -","- C36 H16 N10 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1164","0.1078","","","","0.3477","","","","","","1.4","","","","has coordinates,has disorder","275679","2022-05-28","02:04:39",""
"1567033","7.0634","0.0004","7.8154","0.0005","13.468","0.0008","73.628","0.005","89.55","0.005","67.258","0.006","653.56","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H9 N5 -","- C15 H9 N5 -","- C30 H18 N10 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0663","0.0592","","","","0.1813","","","","","","0.996","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567034","7.1924","0.0003","7.8489","0.0005","13.617","0.0009","106.174","0.006","90.739","0.004","112.525","0.005","675.74","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H9 N5 -","- C15 H9 N5 -","- C30 H18 N10 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0647","0.0589","","","","0.193","","","","","","1.018","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567035","9.1474","0.0002","11.3666","0.0005","15.9321","0.0006","106.234","0.004","91.277","0.003","99.804","0.003","1562.98","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H20 N9 O -","- C37 H20 N9 O -","- C74 H40 N18 O2 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0529","0.0458","","","","0.1796","","","","","","0.712","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567036","7.5381","0.0005","8.013","0.0007","13.3368","0.0012","103.618","0.008","90.811","0.006","115.727","0.008","699.07","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H8 N5 -","- C16 H8 N5 -","- C32 H16 N10 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0817","0.0725","","","","0.2367","","","","","","1.066","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567037","7.0735","0.0005","7.8171","0.0004","13.8419","0.0004","74.353","0.004","88.928","0.004","67.934","0.006","680.1","0.07","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H15 I N9 -","- C30 H15 I N9 -","- C30 H15 I N9 -","1","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0629","0.0625","","","","0.146","","","","","","1.099","","","","has coordinates","275679","2022-05-28","02:04:40",""
"1567090","21.57","0.003","21.57","0.003","6.7","0.0013","90","","90","","90","","3117.3","0.9","293","2","293","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- C12 H6 Ga O5 -","- C12 H6 Ga O5 -","- C96 H48 Ga8 O40 -","8","0.5","","Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao","How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks","IUCrJ","2022","9","4","","","10.1107/S2052252522005632","","","0.0251","","","0.2065","0.188","","","0.4609","0.4714","","","","","","1.71","","","","has coordinates","275938","2022-06-09","02:12:41",""
"1567116","12.9189","0.0001","12.9189","0.0001","29.4056","0.0001","90","","90","","90","","4907.74","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H26 N2 O9 S -","- C25.5 H26 N2 O9 S -","- C204 H208 N16 O72 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0482","0.0479","","0.1358","0.1354","0.1298","","","","","","0.9986","","","","has coordinates,has disorder","276036","2022-06-15","02:04:05",""
"1567117","12.917","0.0001","12.917","0.0001","29.3859","0.0002","90","","90","","90","","4903","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H53 N4 O18 S2 -","- C51 H53 N4 O18 S2 -","- C204 H212 N16 O72 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0401","0.0389","","0.1022","0.1011","0.1022","","","","","","1.0044","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567118","12.9076","0.0001","12.9076","0.0001","29.467","0.0002","90","","90","","90","","4909.38","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H25.5 N2 O8.5 S -","- C25.5 H25.5 N2 O8.5 S -","- C204 H204 N16 O68 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0513","0.0504","","0.1456","0.1444","0.1456","","","","","","1.0266","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567119","12.8885","0.0001","12.8885","0.0001","29.5227","0.0001","90","","90","","90","","4904.12","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H28 N2 O7.5 S -","- C25.5 H28 N2 O7.5 S -","- C204 H224 N16 O60 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0332","0.0323","","0.0459","0.0453","0.0459","","","","","","1.1032","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567120","12.8625","0.0001","12.8625","0.0001","29.5499","0.0001","90","","90","","90","","4888.85","0.06","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H26.5 Br0.5 N2 O7 S -","- C25 H26.5 Br0.5 N2 O7 S -","- C200 H212 Br4 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0747","0.0735","","0.2147","0.2128","0.2147","","","","","","0.9938","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567121","12.8788","0.0001","12.8788","0.0001","29.3261","0.0001","90","","90","","90","","4864.13","0.06","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C33.33 H35.33 Cl0.67 N2.67 O9.33 S1.33 -","- C33.3333 H35.3333 Cl0.666667 N2.66667 O9.33333 S1.33333 -","- C200 H212 Cl4 N16 O56 S8 -","6","0.75","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.033","0.0324","","0.0895","0.0889","0.0895","","","","","","0.9885","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567122","12.8425","0.0001","12.8425","0.0001","29.4534","0.0002","90","","90","","90","","4857.74","0.06","119.97","0.1","119.97","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H48 F6 N4 O14 S2 -","- C50 H48 F6 N4 O14 S2 -","- C200 H192 F24 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","x-ray","1.54184","CuKα","","0.0228","0.0226","","","0.0716","0.0718","","","","1.67","1.67","1.66","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567123","12.9104","0.0001","12.9104","0.0001","29.4495","0.0001","90","","90","","90","","4908.6","0.06","95","","95","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H53 I N4 O14 S2 -","- C50 H53 I N4 O14 S2 -","- C200 H212 I4 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0358","0.0356","","0.0794","0.0792","0.0794","","","","","","0.9968","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567124","13.2792","0.0001","13.2792","0.0001","28.2737","0.0001","90","","90","","90","","4985.7","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C53 H60 N4 O14 S2 -","- C53 H60 N4 O14 S2 -","- C212 H240 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0224","0.0223","","0.0603","0.0601","0.0603","","","","","","0.8635","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567125","12.9696","0.0001","12.9696","0.0001","29.2499","0.0001","90","","90","","90","","4920.14","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H29 N2 O7 S -","- C26 H29 N2 O7 S -","- C208 H232 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0361","0.036","","0.0909","0.0908","0.0909","","","","","","1.1151","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567126","12.8876","0.0001","12.8876","0.0001","29.4547","0.0002","90","","90","","90","","4892.14","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H52 N6 O15 S2 -","- C50 H52 N6 O15 S2 -","- C200 H208 N24 O60 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0393","0.0389","","0.106","0.1056","0.106","","","","","","1.0243","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567127","12.9268","0.0001","12.9268","0.0001","29.3204","0.0002","90","","90","","90","","4899.5","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H53 N5 O16 S2 -","- C50 H53 N5 O16 S2 -","- C200 H212 N20 O64 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.54184","CuKα","","0.0374","0.0362","","0.0932","0.0922","0.0932","","","","","","0.9999","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567128","13.185","0.0001","13.185","0.0001","28.593","0.0001","90","","90","","90","","4970.73","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H30.5 N2 O7 S -","- C26 H30.5 N2 O7 S -","- C208 H244 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0277","0.0274","","0.0598","0.0595","0.0598","","","","","","0.93","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567129","12.9133","0.0001","12.9133","0.0001","29.3418","0.0001","90","","90","","90","","4892.84","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H53 N4 O17 S2 -","- C51 H53 N4 O17 S2 -","- C204 H212 N16 O68 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0302","0.0301","","0.0755","0.0754","0.0755","","","","","","1.0911","","","","has coordinates","276036","2022-06-15","02:04:07",""
"1567130","12.9492","0.0001","12.9492","0.0001","29.6806","0.0003","90","","90","","90","","4976.9","0.07","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C51 H54 F3 N4 O14 S2 -","- C51 H54 F3 N4 O14 S2 -","- C204 H216 F12 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0672","0.067","","0.1606","0.1605","0.1606","","","","","","0.974","","","","has coordinates","276036","2022-06-15","02:04:07",""
"1567346","6.1732","0.0003","6.1732","0.0003","5.6881","0.0005","90","","90","","90","","216.76","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.27552","synchrotron","","0.0632","0.0334","","","0.065","0.083","","","","","","1.4392","","","","has coordinates","276901","2022-07-23","04:17:50",""
"1567347","6.1732","0.0003","6.1732","0.0003","5.6881","0.0005","90","","90","","90","","216.76","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.27552","synchrotron","","0.0607","0.0306","","","0.06","0.0785","","","","","","1.3912","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567348","6.1732","0.0003","6.1732","0.0003","5.6881","0.0005","90","","90","","90","","216.76","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.27552","synchrotron","","0.0611","0.031","","","0.0617","0.0789","","","","","","1.3986","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567349","6.1711","0.0003","6.1711","0.0003","5.6747","0.0005","90","","90","","90","","216.11","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.50014","synchrotron","","0.0207","0.02","","","0.0593","0.0596","","","","","","1.3806","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567350","6.1711","0.0003","6.1711","0.0003","5.6747","0.0005","90","","90","","90","","216.11","0.02","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.50014","synchrotron","","0.0783","0.0776","","","0.1468","0.1485","","","","","","0.9361","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567351","6.1918","0.0004","6.1918","0.0004","5.7067","0.0004","90","","90","","90","","218.79","0.03","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.029","0.0152","","","0.022","0.0255","","","","","","0.9287","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567352","6.1918","0.0004","6.1918","0.0004","5.7067","0.0004","90","","90","","90","","218.79","0.03","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.03","0.0159","","","0.0231","0.0265","","","","","","0.9349","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567353","6.1737","0.0005","6.1737","0.0005","5.6843","0.0003","90","","90","","90","","216.65","0.03","293","3","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0441","0.0296","","","0.0588","0.0709","","","","","","1.1654","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567354","6.1737","0.0005","6.1737","0.0005","5.6843","0.0003","90","","90","","90","","216.65","0.03","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0452","0.0306","","","0.0624","0.0751","","","","","","1.1553","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567355","6.1665","0.0003","6.1665","0.0003","5.6756","0.0004","90","","90","","90","","215.82","0.02","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0339","0.0162","","","0.0255","0.0289","","","","","","1.0567","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567356","6.1665","0.0003","6.1665","0.0003","5.6756","0.0004","90","","90","","90","","215.82","0.02","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0347","0.0171","","","0.0261","0.0294","","","","","","1.0414","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567357","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Molybdenumhexacarbonyl","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0234","0.0231","","","0.0796","0.08","","","","","","1.0215","","","","has coordinates","276902","2022-07-23","04:19:37",""
"1567358","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0132","0.0129","","","0.0358","0.036","","","","","","1.0375","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567359","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0133","0.013","","","0.036","0.0362","","","","","","1.0451","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567360","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.037","0.0362","","","0.1141","0.1149","","","","","","0.955","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567361","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.0282","0.0277","","","0.1007","0.1015","","","","","","1.0106","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567362","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.0143","0.0137","","","0.0362","0.0366","","","","","","1.0878","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567363","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0201","0.0192","","","0.0572","0.0576","","","","","","1.0123","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567364","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0227","0.0218","","","0.0682","0.0688","","","","","","1.0078","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567365","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0152","0.0143","","","0.0367","0.037","","","","","","1.0632","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567366","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","MoCO6_20018_henke","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.0288","0.0279","","","0.0944","0.0953","","","","","","1.0119","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567367","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.0167","0.0157","","","0.0426","0.0431","","","","","","1.043","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567368","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.016","0.0151","","","0.0399","0.0403","","","","","","1.0548","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567369","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0211","0.0203","","","0.0638","0.0643","","","","","","1.063","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567370","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0178","0.0169","","","0.0493","0.0497","","","","","","1.0256","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567371","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0154","0.0145","","","0.0389","0.0392","","","","","","1.0835","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567372","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0252","0.0244","","","0.0803","0.0812","","","","","","1.0251","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567373","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0172","0.0163","","","0.046","0.0465","","","","","","1.0431","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567374","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0157","0.0149","","","0.0398","0.0402","","","","","","1.0608","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567375","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0151","0.0143","","","0.039","0.0394","","","","","","1.0602","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567376","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0151","0.0143","","","0.0386","0.0391","","","","","","1.0596","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567377","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0148","0.014","","","0.0378","0.0383","","","","","","1.0685","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567388","5.8166","0.0001","11.4718","0.0002","9.5696","0.0002","90","","103.897","0.002","90","","619.86","0.02","100.2","0.8","100.2","0.8","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H22 N O3 -","- C12 H22 N O3 -","- C24 H44 N2 O6 -","2","0.5","","Wang, Zhaoyu; Zou, Xinhui; Xie, Yi; Zhang, Haoke; Hu, Lianrui; Chan, Christopher C. S.; Zhang, Ruoyao; Guo, Jing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Williams, Ian D.; Zeng, Zebing; Wong, Kam Sing; Sherrill, C. David; Ye, Ruquan; Tang, Ben Zhong","A nonconjugated radical polymer with stable red luminescence in the solid state.","Materials horizons","2022","9","10","2564","2571","10.1039/d2mh00808d","","x-ray","1.54184","CuKα","","0.0368","0.0357","","","0.0924","0.0931","","","","","","1.047","","","","has coordinates,has disorder","278480","2022-10-07","01:26:37",""
"1567481","14.234","0.002","19.457","0.003","12.568","0.002","90","","100.195","0.007","90","","3425.8","0.9","151","2","151","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 B N3 -","- C48 H30 B N3 -","- C192 H120 B4 N12 -","4","1","","He, Shuang; Liu, Junjie; Yang, Ge; Bin, Zhengyang; You, Jingsong","Dipole moment engineering enables universal B-N-embedded bipolar hosts for OLEDs: an old dog learns a new trick.","Materials horizons","2022","9","11","2818","2823","10.1039/d2mh00856d","","","0.71073","MoKα","","0.0749","0.0503","","","0.1126","0.1277","","","","","","1.026","","","","has coordinates","279030","2022-11-07","05:56:28",""
"1567482","27.5838","0.0011","9.1201","0.0004","19.3361","0.0009","90","","124.586","0.001","90","","4004.7","0.3","302","2","302","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 B N3 -","- C54 H42 B N3 -","- C216 H168 B4 N12 -","4","0.5","","He, Shuang; Liu, Junjie; Yang, Ge; Bin, Zhengyang; You, Jingsong","Dipole moment engineering enables universal B-N-embedded bipolar hosts for OLEDs: an old dog learns a new trick.","Materials horizons","2022","9","11","2818","2823","10.1039/d2mh00856d","","","0.71073","MoKα","","0.0946","0.046","","","0.0994","0.1185","","","","","","1.029","","","","has coordinates","279030","2022-11-07","05:56:28",""
"1568223","5.7156","0.0005","5.7156","0.0005","10.074","0.002","90","","90","","90","","329.1","0.08","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Mg P2 Si -","- Mg P2 Si -","- Mg4 P8 Si4 -","4","0.25","","Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning","Uncovering a Vital Band Gap Mechanism of Pnictides.","Advanced science (Weinheim, Baden-Wurttemberg, Germany)","2022","9","14","e2105787","","10.1002/advs.202105787","","","1.3414","GaKα","","0.033","0.0328","","","0.0862","0.0866","","","","","","1.212","","","","has coordinates","280126","2023-01-05","16:31:22",""
"1568387","10.58518","0.00006","10.58518","0.00006","10.58518","0.00006","90","","90","","90","","1186.03","0.012","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 Ge6 S32 V2 -","- Cu26.001 Ge6.00024 S32.0012 V2 -","- Cu26.001 Ge6.00024 S32.0012 V2 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59191","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.8492","","","","","","","","has coordinates","280890","2023-02-14","15:28:30",""
"1568388","10.55237","0.00006","10.55237","0.00006","10.55237","0.00006","90","","90","","90","","1175.03","0.012","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cr2 Cu26 Ge6 S32 -","- Cr2 Cu26.001 Ge6.00024 S32.0012 -","- Cr2 Cu26.001 Ge6.00024 S32.0012 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59414","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.5215","","","","","","","","has coordinates","280891","2023-02-14","15:29:16",""
"1568389","10.59748","0.00007","10.59748","0.00007","10.59748","0.00007","90","","90","","90","","1190.17","0.014","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 Ge6 Mo2 S32 -","- Cu26.001 Ge6.00024 Mo2 S32.0012 -","- Cu26.001 Ge6.00024 Mo2 S32.0012 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59408","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.2837","","","","","","","","has coordinates","280892","2023-02-14","15:29:50",""
"1568390","10.6098","0.0001","10.6098","0.0001","10.6098","0.0001","90","","90","","90","","1194.32","0.019","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 Ge6 S32 W2 -","- Cu26.001 Ge6.00024 S32.0012 W2 -","- Cu26.001 Ge6.00024 S32.0012 W2 -","1","0.0416667","","Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.","'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive ""Cu-S"" network'","Advanced Energy Materials","2019","9","6","1803249","1803249","10.1002/aenm.201803249","powder diffraction","","1.59395","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.7848","","","","","","","","has coordinates","280893","2023-02-14","15:30:24",""
"1568785","19.9823","0.0006","13.8784","0.0005","29.3863","0.0009","90","","90","","90","","8149.5","0.5","120","","120","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C55 H49 Cl3 Dy N6 O6 S4 Se20 -","- C220 H196 Cl12 Dy4 N24 O24 S16 Se80 -","4","0.5","","Wan, Qingyun; Wakizaka, Masanori; Zhang, Haitao; Shen, Yongbing; Funakoshi, Nobuto; Che, Chi-Ming; Takaishi, Shinya; Yamashita, Masahiro","A New Organic Conductor of Tetramethyltetraselenafulvalene (TMTSF) with a Magnetic Dy(III) Complex","Magnetochemistry","2023","9","3","77","","10.3390/magnetochemistry9030077","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.087","0.0964","","","","","","1.029","","","","has coordinates","282352","2023-04-04","21:09:59",""
"1569460","16.4768","0.0017","10.4768","0.0004","17.6691","0.001","90","","107.092","0.009","90","","2915.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B2 Cu3 F8 N12 O -","- C18 H22 B2 Cu3 F8 N12 O -","- C72 H88 B8 Cu12 F32 N48 O4 -","4","1","","Cañón-Mancisidor, Walter; Hermosilla-Ibáñez, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Gómez-García, Carlos J.; Venegas-Yazigi, Diego","Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview","Magnetochemistry","2023","9","6","155","","10.3390/magnetochemistry9060155","","","0.71073","MoKα","","0.0997","0.0515","","","0.0769","0.093","","","","","","1.01","","","","has coordinates","285019","2023-07-06","04:13:38",""
"1569461","6.3677","0.0002","9.3316","0.0004","10.8478","0.0004","65.191","0.001","80.533","0.001","73.042","0.001","559","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Fe Na7 Ni3 O28 P8 -","- Fe Na7 Ni3 O28 P8 -","- Fe Na7 Ni3 O28 P8 -","1","0.5","","El Arni, Sirine; Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Marssi, Mimoun; Lahmar, Abdelilah; El Ammari, Lahcen","Structural and Magnetic Investigations of the Novel Pyrophosphate Na7Ni3Fe(P2O7)4","Magnetochemistry","2023","9","7","162","","10.3390/magnetochemistry9070162","","","0.71073","MoKα","","0.0269","0.0261","","","0.0659","0.0663","","","","","","1.089","","","","has coordinates","285020","2023-07-06","04:14:02",""
"1570704","13.6947","0.0012","23.467","0.002","5.2287","0.0006","90","","90","","90","","1680.4","0.3","100","0.5","100","0.5","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole","","- C9 H10 O Te -","- C9 H10 O Te -","- C72 H80 O8 Te8 -","8","2","HB4459","Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas","5,6-Dimethylbenzo[d][1,3]oxatellurole","IUCrData","2024","9","1","x231076","","10.1107/S2414314623010763","","","0.56086","AgKα","","0.0424","0.033","","","0.0585","0.0609","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570705","10.9589","0.0004","9.328","0.0004","12.7255","0.0006","90","","90","","90","","1300.86","0.1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","<i>rac</i>-Hydroxyisovaleric acid","<i>rac</i>-2-Hydroxy-3-methylbutanoic acid","","- C5 H10 O3 -","- C5 H10 O3 -","- C40 H80 O24 -","8","1","BT4145","Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard","rac-Hydroxyisovaleric acid","IUCrData","2024","9","1","x231093","","10.1107/S2414314623010933","","","0.71073","MoKα","","0.0425","0.0354","","","0.1011","0.1069","","","","","","1.049","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570750","7.9583","0.0002","11.2703","0.0002","16.008","0.0005","83.0428","0.0018","86.9392","0.0013","76.5236","0.0018","1385.51","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-methylthiosemicarbazone","<i>N</i>-Methyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C13 H21 N3 S -","- C13 H21 N3 S -","- C52 H84 N12 S4 -","4","2","","Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2024","9","1","x240013","","10.1107/S2414314624000130","","x-ray","0.71073","MoKα","","0.1129","0.0522","","","0.1144","0.1399","","","","","","1.031","","","","has coordinates,has disorder","300370","2025-07-05","10:13:21",""
"1570778","14.7877","0.0006","9.9287","0.0004","9.523","0.0003","90","","95.233","0.004","90","","1392.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C14 H12 Cl2 N2 O2 Zn -","- C14 H12 Cl2 N2 O2 Zn -","- C56 H48 Cl8 N8 O8 Zn4 -","4","0.5","WM4203","Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)","IUCrData","2024","9","1","x240037","","10.1107/S2414314624000373","","x-ray","1.54184","CuKα","","0.031","0.0284","","","0.0768","0.0783","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570779","6.5385","0.0002","16.7263","0.0008","19.0096","0.0011","90","","90","","90","","2078.98","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Dichloridobis[(<i>S</i>)-(–)-1-(4-methylphenyl)ethylamine-κ<i>N</i>]palladium(II)","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","1","WM4204","Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin","trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)","IUCrData","2024","9","1","x240036","","10.1107/S2414314624000361","","","0.71073","MoKα","","0.0798","0.0492","","","0.0851","0.0954","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570809","7.0419","0.0001","19.2513","0.0003","12.7175","0.0002","90","","100.513","0.002","90","","1695.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(4-amino-3-nitrobenzoato-κ<i>O</i>)bis(4-amino-3-nitrobenzoic acid-κ<i>O</i>)diaquamanganese(II) dihydrate","","- C28 H30 Mn N8 O20 -","- C28 H30 Mn N8 O20 -","- C56 H60 Mn2 N16 O40 -","2","0.5","BV4050","Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.","Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate","IUCrData","2024","9","1","x240040","","10.1107/S2414314624000403","","","1.54184","CuKα","","0.0386","0.0348","","","0.0946","0.0972","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570810","12.4019","0.0014","14.8205","0.0019","14.9762","0.0018","105.936","0.004","113.662","0.003","94.486","0.004","2368.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>':κ<i>S</i>)bis[(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] dimethylformamide disolvate","","- C52 H52 Fe N3 O S4 -","- C52 H52 Fe N3 O S4 -","- C104 H104 Fe2 N6 O2 S8 -","2","1","IM4022","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′:κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′)iron(III)] dimethylformamide disolvate","IUCrData","2023","9","1","x231083","","10.1107/S2414314623010830","","","0.71073","MoKα","","0.0431","0.0328","","","0.0803","0.0901","","","","","","1.0731","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570811","11.3235","0.0008","11.3235","0.0008","11.3235","0.0008","90","","90","","90","","1451.92","0.18","296","2","296","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium dinickel carbide","","- C Ni2 Ti4 -","- C Ni2 Ti4 -","- C16 Ni32 Ti64 -","16","0.0833333","WM4205","Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Crystal structure of Ti4Ni2C","IUCrData","2024","9","1","x240043","","10.1107/S2414314624000439","","","0.71073","MoKα","","0.0259","0.0237","","","0.0508","0.051","","","","","","1.216","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570858","12.1089","0.0003","13.3568","0.0003","14.0513","0.0004","90","","98.955","0.003","90","","2244.9","0.1","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","","- C44 H36 F6 N10 Ni O7 S2 -","- C44 H36 F6 N10 Ni O7 S2 -","- C88 H72 F12 N20 Ni2 O14 S4 -","2","1","VM4063","Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","IUCrData","2024","9","1","x240088","","10.1107/S2414314624000889","","x-ray","1.54184","CuKα","","0.0597","0.0575","","","0.1351","0.1364","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1570967","9.7878","0.0001","26.2103","0.0003","12.6443","0.0001","90","","97.202","0.001","90","","3218.19","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κN)ruthenium(II) bistriflate","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κ<i>N</i>)ruthenium(II) bis(trifluoromethanesulfonate)","","- C28 H24 F6 N6 O8 Ru S2 -","- C28 H24 F6 N6 O8 Ru S2 -","- C112 H96 F24 N24 O32 Ru4 S8 -","4","1","BT4147","Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.","Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","x240114","","10.1107/S2414314624001147","","x-ray","1.54184","CuKα","","0.0729","0.0712","","","0.1574","0.1585","","","","","","1.056","","","","has coordinates,has disorder","300370","2025-07-05","10:13:22",""
"1570968","14.434","0.0003","13.9644","0.0002","14.2126","0.0002","90","","102.536","0.0016","90","","2796.43","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4,4'-dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) bis(trifluoromethanesulfonate)","","- C24 H20 F6 N4 O8 Pd S2 -","- C24 H20 F6 N4 O8 Pd S2 -","- C96 H80 F24 N16 O32 Pd4 S8 -","4","1","WM4206","Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.","(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","x240109","","10.1107/S2414314624001093","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.0966","0.0999","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1570997","27.8745","0.0009","83.475","0.003","7.5368","0.0002","90","","90","","90","","17536.8","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Ethyl-3,3-dimethylspiro[indoline-2,8'-phenaleno[1,9-<i>fg</i>]chromene]","","- C30 H25 N O -","- C30 H25 N O -","- C960 H800 N32 O32 -","32","2","HB4461","Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang","1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]","IUCrData","2024","9","2","x240137","","10.1107/S2414314624001378","","","1.54178","CuKα","","0.0382","0.0319","","","0.0836","0.0875","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571038","8.3549","0.0007","9.3366","0.0008","12.3971","0.0007","69.409","0.007","75.524","0.006","65.217","0.008","815.89","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ^3^<i>N</i>:<i>N</i>',<i>N</i>'']bis[diacetato-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)]","","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","1","0.5","ZL4065","Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]","IUCrData","2024","9","2","x240122","","10.1107/S2414314624001226","","x-ray","0.71073","MoKα","","0.0552","0.039","","","0.0896","0.0979","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571068","13.7387","0.0012","20.547","0.002","8.4283","0.0009","90","","90","","90","","2379.2","0.4","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","2","HB4463","Moodley, Cresten; Muller, Alfred; Belay, Yonas H.","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","IUCrData","2024","9","2","x240163","","10.1107/S2414314624001639","","","0.71073","MoKα","","0.1043","0.0518","","","0.0919","0.1106","","","","","","0.998","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571164","9.5838","0.0003","9.5838","0.0003","23.227","0.0008","90","","90","","120","","1847.56","0.1","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C6 H17 Br3 N2 O -","- C6 H17 Br3 N2 O -","- C36 H102 Br18 N12 O6 -","6","1","CT5016","Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej","Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.","IUCrJ","2022","9","Pt 5","544","550","10.1107/S2052252522006406","","x-ray","0.71073","MoKα","","0.0705","0.0415","","","0.0652","0.074","","","","","","1.08","","","","has coordinates,has disorder","290375","2024-03-07","03:07:04",""
"1571165","16.0425","0.0001","16.0425","0.0001","7.9666","0.0007","90","","90","","120","","1775.61","0.16","299","2","299","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","dabco hydronium tri-bromide","(1,4-diazabicyclo[2.2.2]octane) hydronium tri-bromide","","- C6 H17 Br3 N2 O -","- C6 H17 Br3 N2 O -","- C36 H102 Br18 N12 O6 -","6","1","","Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej","Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.","IUCrJ","2022","9","Pt 5","544","550","10.1107/S2052252522006406","","x-ray","1.54184","CuKα","","0.0319","0.0287","","","0.0782","0.0814","","","","","","1.053","","","","has coordinates,has disorder","290375","2024-03-07","03:07:15",""
"1571166","9.955","0.0003","10.006","0.0003","11.332","0.0004","89.415","0.0014","78.013","0.0014","78.901","0.0014","1082.99","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","4-Fluoro-2-(phenylamino)benzoic acid","","- C13 H10 F N O2 -","- C13 H10 F N O2 -","- C52 H40 F4 N4 O8 -","4","2","HB4457","Li, Jingxi; Long, Sihui","4-Fluoro-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","x240197","","10.1107/S2414314624001974","","","0.71073","MoKα","","0.1177","0.0503","","","0.1068","0.1314","","","","","","0.944","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571167","5.3048","0.0003","5.3048","0.0003","11.4999","0.0009","90","","90","","90","","323.62","0.04","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Neodymium(III) <i>ortho</i>-oxidotungstate(VI)","","- Nd0.67 O4 W -","- Nd0.6667 O4 W -","- Nd2.6668 O16 W4 -","4","0.25","WM4207","Knies, Benjamin; Hartenbach, Ingo","Crystal structure of defect scheelite-type Nd2/3[WO4]","IUCrData","2024","9","3","x240175","","10.1107/S2414314624001755","","","0.71073","MoKα","","0.0331","0.0224","","","0.0476","0.0499","","","","","","1.008","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571168","9.1051","0.0013","10.665","0.002","16.688","0.003","90","","102.16","0.02","90","","1584.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>erythro</i>-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","","- C16 H17 Br O2 S -","- C16 H17 Br O2 S -","- C64 H68 Br4 O8 S4 -","4","1","WM4209","Corfield, Peter W. R.","erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","IUCrData","2024","9","3","x240189","","10.1107/S2414314624001895","","","1.5405","CuKα","","0.0505","0.0375","","","0.0948","0.1025","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571169","11.5962","0.0004","18.4606","0.0005","7.8973","0.0002","90","","106.532","0.007","90","","1620.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-octyl 3-(2-methylpropylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)","","- C26 H50 N4 Ni S4 -","- C26 H50 N4 Ni S4 -","- C52 H100 N8 Ni2 S8 -","2","0.5","WM4208","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)","IUCrData","2024","9","3","x240186","","10.1107/S241431462400186X","","","0.71075","MoKα","","0.0549","0.0359","","","0.0672","0.0723","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571170","15.2054","0.0003","3.8818","0.0001","19.8109","0.0004","90","","107.039","0.001","90","","1118","0.04","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-2-(phenylamino)benzoic acid","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C52 H40 Br4 N4 O8 -","4","1","HB4456","Kang, Liping; Long, Sihui","5-Bromo-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","x240198","","10.1107/S2414314624001986","","","0.71073","MoKα","","0.0472","0.0378","","","0.1163","0.1304","","","","","","1.207","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571171","8.3125","0.0001","18.9072","0.0004","15.7906","0.0003","90","","90.617","0.002","90","","2481.6","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>cis</i>,<i>cis</i>-Dichloridobis(<i>N</i>^4^,<i>N</i>^4^-dimethylpyridin-4-amine-κ<i>N</i>^1^)bis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C18 H32 Cl2 N4 O2 Ru S2 -","- C18 H32 Cl2 N4 O2 Ru S2 -","- C72 H128 Cl8 N16 O8 Ru4 S8 -","4","1","BH4082","Park, Esther H.; Ortiz, Sarah M.; Liang, Todd K.; Smucker, Bradley W.","cis,cis,cis-Dichloridobis(N 4,N 4-dimethylpyridin-4-amine-κN 1)bis(dimethyl sulfoxide-κS)ruthenium(II)","IUCrData","2024","9","3","x240191","","10.1107/S2414314624001913","","","0.71073","MoKα","","0.0623","0.0484","","","0.135","0.1481","","","","","","1.085","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571244","8.489","0.0012","16.4","0.002","27.936","0.003","90","","90","","90","","3889.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine","","- C26 H18 Br N -","- C26 H18 Br N -","- C208 H144 Br8 N8 -","8","1","HB4462","Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria","10-Bromo-N,N-diphenylanthracen-9-amine","IUCrData","2024","9","3","x240207","","10.1107/S2414314624002074","","","0.71073","MoKα","","0.0993","0.0525","","","0.0886","0.1094","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571265","6.7236","0.0005","7.2935","0.0005","16.1649","0.0011","77.57","0.006","80.354","0.005","89.412","0.006","762.9","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>-[1-(2-Oxidophenyl)ethylidene]-<i>DL</i>-alaninato}(pentane-1,5-diyl)silicon(IV)","","- C16 H21 N O3 Si -","- C16 H21 N O3 Si -","- C32 H42 N2 O6 Si2 -","2","1","TK4102","Böhme, Uwe; Fels, Sabine","{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)","IUCrData","2024","9","3","x240228","","10.1107/S2414314624002281","","","0.71073","MoKα","","0.0563","0.0418","","","0.0982","0.1066","","","","","","1.098","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571266","10.3048","0.0002","24.114","0.0006","12.6416","0.0004","90","","100.911","0.003","90","","3084.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ^2^<i>N</i>:<i>N</i>)(2,3-diethyl-7,8-dimethylquinoxaline-κ<i>N</i>)-μ-nitrato-κ^2^<i>O</i>:<i>O</i>'-nitrato-κ^2^<i>O</i>,<i>O</i>'-disilver(I)]","","- C28 H36 Ag2 N6 O6 -","- C28 H36 Ag2 N6 O6 -","- C112 H144 Ag8 N24 O24 -","4","1","ZL4069","Crundwell, Guy; Leeds, Ashley","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2 N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]","IUCrData","2024","9","3","x240247","","10.1107/S2414314624002475","","x-ray","0.71073","MoKα","","0.0793","0.0387","","","0.0798","0.0956","","","","","","1.003","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571267","6.2497","0.0002","13.8633","0.0006","14.6254","0.0005","90","","90","","90","","1267.17","0.08","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl <i>N</i>-{(1<i>R</i>)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","HB4464","Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain","Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","IUCrData","2024","9","3","x240222","","10.1107/S2414314624002220","","x-ray","0.71073","MoKα","","0.0667","0.0464","","","0.1072","0.1183","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571268","7.6288","0.0003","8.753","0.0004","9.3794","0.0004","90.707","0.004","106.138","0.004","114.285","0.005","542.62","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dibromidotetrakis(5-methyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)\ manganese(II)","","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","1","0.5","ZL4064","Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan","trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)","IUCrData","2024","9","3","x240237","","10.1107/S2414314624002372","","","0.71073","MoKα","","0.0462","0.0318","","","0.061","0.064","","","","","","1.037","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571269","6.7949","0.0002","6.9491","0.0002","16.708","0.0008","89.525","0.003","82.547","0.003","82.347","0.003","775.26","0.05","125","","125","","","","","","","","","6","P -1","-P 1","2","","4-Fluorobenzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","","- C16 H12 F N3 O S2 -","- C16 H12 F N3 O S2 -","- C32 H24 F2 N6 O2 S4 -","2","1","HB4466","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","IUCrData","2024","9","3","x240235","","10.1107/S2414314624002359","","x-ray","1.54184","CuKα","","0.131","0.1056","","","0.2397","0.268","","","","","","1.003","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571270","7.5425","0.0003","17.6838","0.0009","18.892","0.0011","90","","90","","90","","2519.8","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","","- C29 H31 Fe2 N O S2 -","- C29 H31 Fe2 N O S2 -","- C116 H124 Fe8 N4 O4 S8 -","4","1","TK4101","Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","IUCrData","2024","9","3","x240234","","10.1107/S2414314624002347","","","0.71073","MoKα","","0.0631","0.0555","","","0.1274","0.1386","","","","","","1.056","","","","has coordinates,has disorder","300370","2025-07-05","10:13:24",""
"1571312","26.718","0.004","9.8834","0.0013","20.648","0.003","90","","90","","90","","5452.4","1.3","125","2","125","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","","- C50 H56 F12 N10 O3 P2 Ru -","- C50 H56 F12 N10 O3 P2 Ru -","- C200 H224 F48 N40 O12 P8 Ru4 -","4","1","BT4148","Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.","Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","IUCrData","2024","9","3","x240269","","10.1107/S2414314624002694","","","0.71073","MoKα","","0.1046","0.092","","","0.1934","0.1987","","","","","","1.184","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571470","22.0407","0.0006","12.4642","0.0003","18.0706","0.0005","90","","107.495","0.001","90","","4734.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ethidium benzoate methanol monosolvate","8-Amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C232 H232 N24 O24 -","8","1","TK4103","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium benzoate methanol monosolvate","IUCrData","2024","9","4","x240302","","10.1107/S241431462400302X","","","0.71069","MoKα","","0.0688","0.0532","","","0.139","0.1504","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:13:29",""
"1571493","10.056","0.0006","21.3696","0.0009","12.5648","0.0006","90","","100.161","0.002","90","","2657.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","","- C26.33 H28.65 N8 Ni O S2 -","- C26.328 H28.656 N8 Ni O S2 -","- C105.312 H114.624 N32 Ni4 O4 S8 -","4","1","BH4083","Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti","mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","IUCrData","2024","9","4","x240339","","10.1107/S2414314624003390","","","0.71073","MoKα","","0.0385","0.0355","","","0.0808","0.0825","","","","","","1.081","","","","has coordinates,has disorder","300370","2025-07-05","10:13:31",""
"1571494","7.08","0.0003","10.6304","0.0003","11.065","0.0003","89.715","0.002","79.711","0.003","89.598","0.002","819.37","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-EtPyBdanI","1-Ethyl-4-(1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2(3<i>H</i>)-yl)pyridin-1-ium iodide","","- C17 H17 B I N3 -","- C17 H17 B I N3 -","- C34 H34 B2 I2 N6 -","2","1","BX4026","Hashimoto, Shu; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide","IUCrData","2024","9","4","x240362","","10.1107/S2414314624003626","","x-ray","0.71073","MoKα","","0.0226","0.02","","","0.0513","0.0521","","","","","","1.074","","","","has coordinates","300370","2025-07-05","10:13:32",""
"1571495","25.8993","0.0007","6.6206","0.0002","13.4938","0.0003","90","","96.425","0.002","90","","2299.23","0.11","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","(<i>S</i>~C~,<i>R</i>~S~)-Bromido(<i>N</i>-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-<i>N'</i>-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","","- C21 H25 Br2 N3 Pd S -","- C21 H25 Br2 N3 Pd S -","- C84 H100 Br8 N12 Pd4 S4 -","4","1","ZL4070","Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru","(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","IUCrData","2024","9","4","x240360","","10.1107/S2414314624003602","","x-ray","1.54184","CuKα","","0.0336","0.0299","","","0.0698","0.0723","","","","","","1.036","","","","has coordinates","300370","2025-07-05","10:13:32",""
"1571496","8.8428","0.0005","9.2779","0.0006","9.9343","0.0004","79.126","0.004","82.732","0.004","67.279","0.006","736.99","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Poly[3-methylpyridinium [(μ~2~-dihydrogen phosphito)bis(μ~3~-hydrogen phosphito)dizinc]]","","- C6 H12 N O9 P3 Zn2 -","- C6 H12 N O9 P3 Zn2 -","- C12 H24 N2 O18 P6 Zn4 -","2","1","TK4104","Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.","Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]","IUCrData","2024","9","4","x240345","","10.1107/S2414314624003456","","","0.71073","MoKα","","0.0735","0.0501","","","0.1254","0.1342","","","","","","1.018","","","","has coordinates","300370","2025-07-05","10:13:33",""
"1571497","25.6112","0.0006","9.7565","0.0002","10.3664","0.0002","90","","95.169","0.002","90","","2579.78","0.09","100.01","0.1","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Germacrone","(3<i>E</i>,7<i>E</i>)-3,7-Dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one","","- C15 H22 O -","- C15 H22 O -","- C120 H176 O8 -","8","1","WM4211","Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan","Redetermination of germacrone type II based on single-crystal X-ray data","IUCrData","2024","9","4","x240346","","10.1107/S2414314624003468","","","1.54184","CuKα","","0.0344","0.0289","","","0.0733","0.0768","","","","","","1.0708","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571498","15.862","0.001","6.0503","0.0004","19.064","0.0012","90","","105.287","0.003","90","","1764.8","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","BX4027","Minagawa, Tomohiro; Sadakiyo, Masaaki","(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","IUCrData","2024","9","4","x240358","","10.1107/S2414314624003584","","","0.71069","MoKα","","0.0909","0.0632","","","0.1308","0.154","","","","","","1.076","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571499","6.7497","0.0009","52.478","0.007","18.832","0.003","90","","90","","90","","6670.5","1.6","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","23007z","13-Nitrobenzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenoxazine","","- C22 H11 N3 O3 S -","- C22 H11 N3 O3 S -","- C352 H176 N48 O48 S16 -","16","1","NX4001","Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad","13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine","IUCrData","2024","9","4","x240299","","10.1107/S2414314624002992","","","0.71073","MoKα","","0.0366","0.0327","","","0.0841","0.087","","","","","","1.029","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571500","6.746","0.002","23.041","0.007","10.939","0.003","90","","97.616","0.005","90","","1685.3","0.9","93","2","93.35","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-2,3-Dihydronaphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","","- C17 H19 B I N3 O -","- C17 H19 B I N3 O -","- C68 H76 B4 I4 N12 O4 -","4","1","HB4467","Hashimoto, Shu; Miki, Shintaro; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","IUCrData","2024","9","4","x240369","","10.1107/S2414314624003699","","","0.71075","MoKα","","0.0318","0.0264","","","0.0529","0.0555","","","","","","1.044","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571501","8.3455","0.0003","19.2331","0.0006","11.0134","0.0003","90","","102.491","0.003","90","","1725.92","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-<i>b</i>]pyrazine]silver(I) perchlorate methanol disolvate","","- C32 H26 Ag Cl N6 O6 S4 -","- C32 H26 Ag Cl N6 O6 S4 -","- C64 H52 Ag2 Cl2 N12 O12 S8 -","2","1","ZL4071","Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate","IUCrData","2024","9","4","x240344","","10.1107/S2414314624003444","","x-ray","0.71073","MoKα","","0.0739","0.0408","","","0.0821","0.0951","","","","","","1.014","","","","has coordinates,has disorder","300370","2025-07-05","10:13:35",""
"1571515","11.7365","0.0005","3.8149","0.0002","35.726","0.0015","90","","97.669","0.002","90","","1585.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","24047z","Benzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenothiazine","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","1","OI4001","Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.","Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine","IUCrData","2024","9","4","x240357","","10.1107/S2414314624003572","","","0.71073","MoKα","","0.0564","0.0466","","","0.1111","0.1163","","","","","","1.059","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571673","4.6536","0.0003","8.2542","0.0003","13.682","0.0006","78.092","0.004","82.801","0.004","85.469","0.004","509.42","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis(secnidazole-κ<i>N</i>^3^)copper(II)","","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","1","0.5","BX4028","Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain","trans-Dichloridobis(secnidazole-κN 3)copper(II)","IUCrData","2024","9","5","x240376","","10.1107/S2414314624003766","","x-ray","0.71073","MoKα","","0.0604","0.0413","","","0.0963","0.1075","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571674","4.3286","0.0008","21.334","0.004","9.2941","0.0016","90","","93.744","0.004","90","","856.4","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-hydroxy-4-iodobenzoate","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","1","HB4468","Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.","Methyl 2-hydroxy-4-iodobenzoate","IUCrData","2024","9","5","x240394","","10.1107/S2414314624003948","","","0.71073","MoKα","","0.0349","0.0299","","","0.0559","0.0574","","","","","","1.111","","","","has coordinates","300370","2025-07-05","10:13:36",""
"1571679","9.8065","0.0002","12.5029","0.0003","16.1592","0.0003","90","","95.599","0.002","90","","1971.82","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)zinc(II) perchlorate","","- C14 H26 Cl F N6 O6 Zn -","- C14 H26 Cl F N6 O6 Zn -","- C56 H104 Cl4 F4 N24 O24 Zn4 -","4","1","BT4149","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate","IUCrData","2024","9","5","x240431","","10.1107/S2414314624004310","","x-ray","1.54184","CuKα","","0.0645","0.0635","","","0.1773","0.1785","","","","","","1.106","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571706","7.2605","0.0009","10.4221","0.0014","14.668","0.002","90","","94.366","0.012","90","","1106.7","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ^5^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')copper(II)","","- C8 H18 Cl Cu N O5 -","- C8 H18 Cl Cu N O5 -","- C32 H72 Cl4 Cu4 N4 O20 -","4","1","WM4213","Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)","IUCrData","2024","9","5","x240439","","10.1107/S2414314624004395","","","0.71073","MoKα","","0.0655","0.0475","","","0.1144","0.1299","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571764","10.6769","0.0003","17.9611","0.0005","7.0266","0.0002","90","","90","","90","","1347.48","0.07","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Oxo-2<i>H</i>-chromen-4-yl 3,3-dimethylbutanoate","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","HB4474","Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye","2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate","IUCrData","2024","9","5","x240494","","10.1107/S2414314624004942","","","1.54184","CuKα","","0.032","0.0305","","","0.0823","0.0841","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571765","13.0619","0.0017","7.6891","0.001","20.475","0.003","90","","106.809","0.014","90","","1968.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline","","- C26 H18 Br N -","- C26 H18 Br N -","- C104 H72 Br4 N4 -","4","1","HB4471","Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria","2-(10-Bromoanthracen-9-yl)-N-phenylaniline","IUCrData","2024","9","5","x240475","","10.1107/S2414314624004759","","","0.71073","MoKα","","0.0677","0.0494","","","0.118","0.1293","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571766","5.2598","0.0008","5.2598","0.0008","15.778","0.003","90","","90","","120","","378.03","0.11","300","2","300","2","","","","","","","","4","R -3 :H","-R 3","148","","Trisodium iron(III) ditellurium(VI) nonaoxide","","- Fe0.6666 Na2 O6 Te1.3333 -","- Fe0.6666 Na2 O6 Te1.3334 -","- Fe1.9998 Na6 O18 Te4.0002 -","3","0.166667","","Eder, Felix; Weil, Matthias","Ilmenite-type Na2(Fe2/3Te4/3)O6","IUCrData","2024","9","5","x240482","","10.1107/S2414314624004826","","","0.71073","MoKα","","0.0326","0.0266","","","0.0642","0.0658","","","","","","1.031","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571767","4.8838","0.0002","18.3867","0.0007","5.1522","0.0002","90","","110.325","0.0016","90","","433.85","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-Carboxyethyl <i>L</i>-cysteinyl sulfone","(2<i>S</i>)-2-Azaniumyl-3-[(2-carboxyethane)sulfonyl]propanoate","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C12 H22 N2 O12 S2 -","2","1","PK4044","Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","(S)-2-Carboxyethyl L-cysteinyl sulfone","IUCrData","2024","9","5","x240480","","10.1107/S2414314624004802","","","0.71073","MoKα","","0.019","0.0189","","","0.0508","0.0508","","","","","","1.102","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571768","14.21628","0.00018","20.7477","0.0002","18.221","0.0002","90","","110.078","0.0015","90","","5047.74","0.11","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octakis(dibutylammonium) decamolybdate(VI)","","- C64 H160 Mo10 N8 O34 -","- C64 H160 Mo10 N8 O34 -","- C128 H320 Mo20 N16 O68 -","2","0.5","WM4210","Gueye, Papa Aly; Yaffa, Lamine; Seye, Dame; Ndoye, Daouda; Traoré, Bocar; Sidibé, Mamadou; Diop, Cheikh Abdoul Khadir; Shova, Sergiu","Octakis(dibutylammonium) decamolybdate(VI)","IUCrData","2024","9","5","x240463","","10.1107/S2414314624004632","","x-ray","1.54184","CuKα","","0.0507","0.0452","","","0.1153","0.1194","","","","","","1.024","","","","has coordinates,has disorder","300370","2025-07-05","10:13:40",""
"1571769","13.7","0.0006","13.7","0.0006","8.7123","0.0005","90","","90","","90","","1635.21","0.14","170","2","170","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Tetrakis(2,4,6-trimethylanilido)tin(IV)","","- C36 H48 N4 Sn -","- C36 H48 N4 Sn -","- C72 H96 N8 Sn2 -","2","0.25","WM4214","Lämmer, Christian; Merzweiler, Kurt","Tetrakis(2,4,6-trimethylanilido)tin(IV)","IUCrData","2024","9","5","x240479","","10.1107/S2414314624004796","","","0.71073","MoKα","","0.0242","0.0224","","","0.0558","0.057","","","","","","1.069","","","","has coordinates","300370","2025-07-05","10:13:42",""
"1571777","11.2451","0.0014","14.4734","0.0017","15.232","0.002","90","","103.485","0.004","90","","2410.7","0.5","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[{μ~2~-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^}(μ~2-~4,4'-dipyridylamine-κ^2^<i>N</i>^4^:<i>N</i>^4'^)cobalt(II)] dimethylformamide hemisolvate monohydrate]","","- C22.5 H23.5 Co N4.5 O6.5 S -","- C22.5 H23.5 Co N4.5 O6.5 S -","- C90 H94 Co4 N18 O26 S4 -","4","1","WM4212","Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen","Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]","IUCrData","2024","9","6","x240489","","10.1107/S2414314624004899","","","0.71073","MoKα","","0.0898","0.0531","","","0.129","0.1495","","","","","","1.036","","","","has coordinates,has disorder","300370","2025-07-05","10:13:50",""
"1571778","30.247","0.004","13.713","0.002","17.205","0.002","90","","90","","90","","7136.2","1.6","101.15","","101.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(2,5-Dimethylimidazole){<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","","- C85 H62 Cl2 Mn N14 O4 -","- C85 H62 Cl2 Mn N14 O4 -","- C340 H248 Cl8 Mn4 N56 O16 -","4","1","HB4469","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","IUCrData","2024","9","6","x240497","","10.1107/S2414314624004978","","","0.71073","MoKα","","0.1065","0.0804","","","0.2106","0.2401","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:51",""
"1571779","23.1771","0.0019","12.7959","0.001","22.5404","0.0016","90","","100.332","0.003","90","","6576.5","0.9","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","","- C84 H52 Cl Fe N12 O4 -","- C84 H52 Cl Fe N12 O4 -","- C336 H208 Cl4 Fe4 N48 O16 -","4","0.5","HB4470","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","IUCrData","2024","9","6","x240496","","10.1107/S2414314624004966","","","0.71073","MoKα","","0.0422","0.0352","","","0.0819","0.0877","","","","","","1.074","","","","has coordinates","300370","2025-07-05","10:13:53",""
"1571806","14.1426","0.0003","12.3103","0.0003","18.8707","0.0003","90","","98.492","0.002","90","","3249.36","0.12","100","","100.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","","- C34 H42 B F4 Ir N3 P -","- C34 H42 B F4 Ir N3 P -","- C136 H168 B4 F16 Ir4 N12 P4 -","4","2","HB4475","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","IUCrData","2024","9","6","x240501","","10.1107/S2414314624005017","","","0.71073","MoKα","","0.031","0.0272","","","0.065","0.0662","","","","","","1.083","","","","has coordinates,has disorder","300370","2025-07-05","10:13:53",""
"1571807","18.1245","0.0016","11.6689","0.001","26.067","0.002","90","","90.332","0.002","90","","5512.9","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","","- C63 H70 B2 Co N6 -","- C63 H70 B2 Co N6 -","- C252 H280 B8 Co4 N24 -","4","1","BX4029","Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","IUCrData","2024","9","6","x240539","","10.1107/S241431462400539X","","","0.71073","MoKα","","0.0897","0.0562","","","0.0971","0.1069","","","","","","1.142","","","","has coordinates","300370","2025-07-05","10:13:53",""
"1571941","7.55855","0.00008","12.16674","0.00013","16.00467","0.00017","90","","94.7152","0.001","90","","1466.85","0.03","290","2","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","","- C28 H30 N2 O12 S2 -","- C28 H30 N2 O12 S2 -","- C56 H60 N4 O24 S4 -","2","0.5","WM4216","Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudaynazarovich; Alimnazarov, Bekmurod Khurramovich; Suyunov, Jabbor Ruziboevich; Umirova, Gulnora Abdurakhmonovna; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","IUCrData","2024","9","6","x240570","","10.1107/S2414314624005704","","x-ray","1.54184","CuKα","","0.0328","0.0307","","","0.0869","0.0886","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:55",""
"1571964","7.3673","0.0003","11.2285","0.0004","12.5778","0.0005","104.974","0.004","101.964","0.004","103.46","0.004","937.1","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","6-[4-(<i>tert</i>-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","","- C19 H30 O2 Si -","- C19 H30 O2 Si -","- C38 H60 O4 Si2 -","2","1","HB4478","Wetzel, Edward A.; Lindeman, Sergey; Donaldson, William A.","6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","IUCrData","2024","9","6","x240590","","10.1107/S241431462400590X","","x-ray","1.54184","CuKα","","0.0484","0.0457","","","0.1276","0.1312","","","","","","1.097","","","","has coordinates","300370","2025-07-05","10:14:04",""
"1572024","21.5659","0.0003","21.5659","0.0003","5.0863","0.0001","90","","90","","90","","2365.58","0.07","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","3-(Pyridin-4-yl)-2,4-diaza-3-boratricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaene","2-(Pyridin-4-yl)-2,3-dihydro-1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinine","","- C15 H12 B N3 -","- C15 H12 B N3 -","- C120 H96 B8 N24 -","8","1","BX4031","Yamamoto, Ryo; Hashimoto, Shu; Okuno, Tsunehisa","2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine","IUCrData","2024","9","6","x240615","","10.1107/S2414314624006151","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0803","0.0825","","","","","","1.056","","","","has coordinates","300370","2025-07-05","10:14:16",""
"1572025","12.1954","0.0006","15.2657","0.0007","39.03","0.0016","90","","95.5629","0.0016","90","","7232","0.6","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquatetrakis(tetrahydrofuran-κ<i>O</i>)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 <i>Ga</i>–<i>Fe</i>)(<i>Fe</i>–<i>Fe</i>) tetrahydrofuran tetrasolvate","","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C196 H296 Cl16 Fe20 Ga16 O108 Si4 -","4","1","BT4151","Demmin, Mary Elizabeth; Bauer, Cary; Ruf, Michael; Harakas, George N.","trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate","IUCrData","2024","9","6","x240620","","10.1107/S2414314624006205","","","0.71073","MoKa","","0.0568","0.0406","","","0.093","0.1004","","","","","","1.039","","","","has coordinates,has disorder","300370","2025-07-05","10:14:18",""
"1572026","3.7474","0.0002","11.6254","0.0006","13.7771","0.0008","68.407","0.005","85.779","0.004","89.843","0.004","556.37","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1,2,4,5-Tetrahydroxybenzene","Benzene-1,2,4,5-tetrol","","- C6 H6 O4 -","- C6 H6 O4 -","- C24 H24 O16 -","4","2","BX4030","Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D.","Benzene-1,2,4,5-tetrol","IUCrData","2024","9","6","x240612","","10.1107/S2414314624006126","","x-ray","1.54184","CuKα","","0.0521","0.0445","","","0.1263","0.1327","","","","","","1.087","","","","has coordinates","300370","2025-07-05","10:14:27",""
"1572119","9.681","0.002","18.411","0.004","13.163","0.003","90","","90","","90","","2346.1","0.9","223","2","223.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[μ~3~-2-(benzotriazol-1-yl)acetato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^3^]chlorido(ethanol-κ<i>O</i>)cobalt(II)]","","- C10 H12 Cl Co N3 O3 -","- C10 H12 Cl Co N3 O3 -","- C80 H96 Cl8 Co8 N24 O24 -","8","1","HB4477","Zheng, Yun-Yun; Su, De-Sen; Yao, Qing-Hua; Huang, Min-Min","Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3 O:O′:N 3]chlorido(ethanol-κO)cobalt(II)]","IUCrData","2024","9","7","x240630","","10.1107/S2414314624006308","","","0.71073","MoKα","","0.0564","0.0447","","","0.1156","0.1201","","","","","","1.089","","","","has coordinates,has disorder","300370","2025-07-05","10:14:30",""
"1572122","13.1598","0.0006","9.7142","0.0004","15.3369","0.0007","90","","115.257","0.001","90","","1773.19","0.14","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-1κ^2^<i>C</i>-μ-chlorido-2:3κ^2^<i>Cl</i>:<i>Cl</i>-pentachlorido-2κ^2^<i>Cl</i>,3κ^3^<i>Cl</i>-[1(η^6^)-toluene]digallium(III)ruthenium(I)(<i>Ru</i>—<i>Ga</i>)","","- C9 H8 Cl6 Ga2 O2 Ru -","- C9 H8 Cl6 Ga2 O2 Ru -","- C36 H32 Cl24 Ga8 O8 Ru4 -","4","1","BT4152","Smith, Danielle; Harakas, George N.","Dicarbonyl-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga)","IUCrData","2024","9","7","x240657","","10.1107/S2414314624006576","","","0.71073","MoKa","","0.0182","0.0163","","","0.0405","0.0411","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:14:34",""
"1572128","15.9086","0.0001","7.8088","0.0001","19.5342","0.0002","90","","106.157","0.001","90","","2330.83","0.04","92.95","","92.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","","- C23 H30 Cl N5 O3 Zn -","- C23 H30 Cl N5 O3 Zn -","- C92 H120 Cl4 N20 O12 Zn4 -","4","1","WM4217","Ichimaru, Yoshimi; Sugiura, Kirara; Kato, Koichi; Kondo, Yuki; Kurihara, Masaaki; Jin, Wanchun; Imai, Masanori; Kurosaki, Hiromasa","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","IUCrData","2024","9","7","x240665","","10.1107/S2414314624006655","","","1.54184","CuKα","","0.0427","0.0414","","","0.1093","0.1101","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:14:36",""
"1572129","22.5897","0.0014","7.51","0.0004","16.3743","0.001","90","","94.716","0.002","90","","2768.5","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':2κ^3^<i>O</i>'',<i>N</i>',<i>O</i>'''-bis[trioxidomolybdate(VI)] tetrahydrate","","- C14 H40 Mo2 N6 O18 -","- C14 H40 Mo2 N6 O18 -","- C56 H160 Mo8 N24 O72 -","4","0.5","BH4085","Yaffa, Lamine; Seye, Dame; Kama, Antoine Blaise; Toure, Assane; Diop, Cheikh Abdoul Khadir","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3 O,N,O′:2κ3 O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate","IUCrData","2024","9","7","x240667","","10.1107/S2414314624006679","","","0.71073","MoKα","","0.0254","0.0223","","","0.0575","0.0597","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572135","10.2505","0.0004","18.6165","0.0009","10.6345","0.0005","90","","96.388","0.004","90","","2016.77","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H42 Cl2 N2 O2 Pd -","- C44 H42 Cl2 N2 O2 Pd -","- C88 H84 Cl4 N4 O4 Pd2 -","2","1","BX4025","Anzaldo, Bertin; Gutiérrez Pérez, René; Hernández Téllez, Guadalupe; Mendoza, Ángel; Moreno Morales, Gloria E.","Bis{(S)-(−)-N-[(2-biphenyl)methylidene]-1-(4-methoxyphenyl)ethylamine-κN}dichloridopalladium(II)","IUCrData","2024","9","7","x240555","","10.1107/S2414314624005558","","","0.71073","MoKα","","0.081","0.0405","","","0.0643","0.0766","","","","","","1.021","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572159","9.6253","0.0001","13.6771","0.0002","13.7938","0.0002","76.41","0.001","83.455","0.001","80.345","0.001","1734.78","0.04","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","","- C16 H27 Cl N3 Rh -","- C16 H27 Cl N3 Rh -","- C64 H108 Cl4 N12 Rh4 -","4","2","BT4153","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2024","9","7","x240704","","10.1107/S2414314624007041","","","0.71073","MoKα","","0.0284","0.0252","","","0.0648","0.0663","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572202","6.5669","0.0018","9.414","0.003","27.57","0.009","90","","90","","90","","1704.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(η^6^-Benzene)chlorido[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","","- C18 H20 Cl N O2 Ru -","- C18 H20 Cl N O2 Ru -","- C72 H80 Cl4 N4 O8 Ru4 -","4","1","ZL4075","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","IUCrData","2024","9","7","x240720","","10.1107/S241431462400720X","","","0.71073","MoKα","","0.0712","0.0447","","","0.0793","0.0888","","","","","","0.975","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572246","10.0296","0.0003","10.3718","0.0003","18.1424","0.0004","99.27","0.002","93.906","0.002","118.766","0.003","1609.45","0.09","100","","100","0.3","","","","","","","","7","P 1","P 1","1","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H42 B F4 N3 P Rh -","- C34 H42 B F4 N3 P Rh -","- C68 H84 B2 F8 N6 P2 Rh2 -","2","2","TK4108","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2024","9","8","x240745","","10.1107/S2414314624007454","","","0.71073","MoKα","","0.0549","0.0487","","","0.1209","0.124","","","","","","1.032","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572306","14.7698","0.0007","6.673","0.0003","26.2392","0.0012","90","","102.231","0.005","90","","2527.4","0.2","305","","305","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2-Phenylethyl)amino]benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","2","HB4476","Zhang, Kexin; Long, Sihui","4-[(2-Phenylethyl)amino]benzoic acid","IUCrData","2024","9","8","x240753","","10.1107/S2414314624007533","","x-ray","0.71073","MoKα","","0.0995","0.0582","","","0.1552","0.1754","","","","","","1.034","","","","has coordinates","300370","2025-07-05","10:14:38",""
"1572307","16.4966","0.0006","8.8166","0.0003","18.9475","0.0007","90","","99.265","0.002","90","","2719.85","0.17","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Pinaverium bromide","4-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-4-{2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl}morpholin-4-ium bromide","","- C26 H41 Br2 N O4 -","- C26 H41 Br2 N O4 -","- C104 H164 Br8 N4 O16 -","4","2","BH4086","Rousselin, Yoann; Clavel, Alexandre","Pinaverium bromide","IUCrData","2024","9","8","x240653","","10.1107/S2414314624006539","","x-ray","1.54178","CuKα","","0.0258","0.0251","","","0.0623","0.0627","","","","","","1.039","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572308","10.0564","0.0005","3.9985","0.0002","28.2235","0.0014","90","","97.744","0.005","90","","1124.53","0.1","304.55","0.1","304.55","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Benzyloxy)benzoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","HB4473","Song, Qiuyi; Long, Sihui","Redetermined structure of 4-(benzyloxy)benzoic acid","IUCrData","2024","9","8","x240752","","10.1107/S2414314624007521","","x-ray","0.71073","MoKα","","0.0627","0.0442","","","0.1223","0.1352","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:14:38",""
"1572357","10.4032","0.0001","18.8988","0.0003","14.8277","0.0002","90","","101.382","0.001","90","","2857.91","0.07","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diisobutylammonium triphenyl(2-thiolatoacetato-κ^2^<i>O</i>,<i>S</i>)stannate(IV)","","- C28 H37 N O2 S Sn -","- C28 H37 N O2 S Sn -","- C112 H148 N4 O8 S4 Sn4 -","4","1","TK4107","Song, Xueqing; Yeibyo, Woldegebriel; Li, William; Pike, Robert D.","Diisobutylammonium triphenyl(2-thiolatoacetato-κ2 O,S)stannate(IV)","IUCrData","2024","9","8","x240742","","10.1107/S2414314624007429","","","1.54178","CuKα","","0.0361","0.0317","","","0.0792","0.0819","","","","","","1.091","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572358","11.4514","0.0005","12.1629","0.0005","12.692","0.0005","67.9946","0.0013","67.3255","0.0014","65.8759","0.0014","1438.34","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichloridotetrakis(3-methoxyaniline)nickel(II)","","- C28 H36 Cl2 N4 Ni O4 -","- C28 H36 Cl2 N4 Ni O4 -","- C56 H72 Cl4 N8 Ni2 O8 -","2","1","","Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.","Dichloridotetrakis(3-methoxyaniline)nickel(II)","IUCrData","2024","9","8","x240776","","10.1107/S2414314624007764","","","0.71073","MoKα","","0.0722","0.0376","","","0.0765","0.0887","","","","","","1.006","","","","has coordinates","300370","2025-07-05","10:14:39",""
"1572377","6.6331","0.0003","7.5726","0.0003","24.6985","0.001","90","","97.141","0.004","90","","1230.98","0.09","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(<i>Z</i>)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C10 H8 Br N3 O S2 -","- C10 H8 Br N3 O S2 -","- C40 H32 Br4 N12 O4 S8 -","4","1","HB4481","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","8","x240787","","10.1107/S2414314624007879","","x-ray","1.54184","CuKα","","0.1143","0.0927","","","0.264","0.2933","","","","","","1.136","","","","has coordinates","300370","2025-07-05","10:14:40",""
"1572440","6.6241","0.0001","19.1629","0.0003","12.6062","0.0002","90","","93.136","0.001","90","","1597.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Norfloxacinium nitrate","4-(3-Carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium nitrate","","- C16 H19 F N4 O6 -","- C16 H19 F N4 O6 -","- C64 H76 F4 N16 O24 -","4","1","HB4480","Rasulov, Abdusamat; Torambetov, Batirbay; Alimnazarov, Bekmurod; Kadirova, Shakhnoza; Suyunov, Jabbor; Nazarov, Yusufjon; Ashurov, Jamshid","Norfloxacinium nitrate","IUCrData","2024","9","8","x240813","","10.1107/S2414314624008137","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.12","0.1262","","","","","","1.052","","","","has coordinates","300370","2025-07-05","10:14:41",""
"1572441","11.1008","0.0002","14.9561","0.0003","12.7221","0.0002","90","","91.486","0.001","90","","2111.47","0.07","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","","- C26 H57 Cu6 N11 O7 -","- C26 H57 Cu6 N11 O7 -","- C52 H114 Cu12 N22 O14 -","2","1","BH4088","Corfield, Peter W. R.; Salvi, Paul","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12 C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","IUCrData","2024","9","8","x240845","","10.1107/S2414314624008459","","","0.7107","MoKα","","0.0641","0.0303","","","0.0747","0.0938","","","","","","1.126","","","","has coordinates,has disorder","300370","2025-07-05","10:14:44",""
"1572442","5.8868","0.0002","8.8927","0.0004","22.8226","0.0009","90","","90","","90","","1194.75","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pyridinium tosylate","Pyridinium 4-methylbenzenesulfonate","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","HB4482","Hosten, Eric Cyriel; Betz, Richard","Pyridinium tosylate","IUCrData","2024","9","8","x240831","","10.1107/S2414314624008319","","","0.71073","MoKα","","0.0275","0.0266","","","0.0706","0.0715","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:14:44",""
"1572443","11.1045","0.0007","9.1489","0.0006","15.8088","0.0011","90","","92.21","0.001","90","","1604.88","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel-3(pyridin-2-ylpyrazolyl)3,5-dimethylpyrazole acetate","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1<i>H</i>-pyrazole)nickel(II)]","","- C30 H34 N10 Ni2 O4 -","- C30 H34 N10 Ni2 O4 -","- C60 H68 N20 Ni4 O8 -","2","0.5","ZL4073","Pilavadi, Thangamuniyandi; Krishnan, Soundararajan; Loganathan, Nagarajan","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1H-pyrazole)nickel(II)]","IUCrData","2024","9","8","x240810","","10.1107/S2414314624008101","","","0.71073","MoKα","","0.0327","0.03","","","0.0778","0.0794","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:14:44",""
"1572444","8.322","0.0004","9.2704","0.0004","9.4248","0.0004","108.101","0.002","99.515","0.002","99.749","0.002","662.46","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","1","0.5","WM4218","Benhamada, Mohamed Siradj Eddine; Benlatreche, Tarek; Ghallab, Rochdi; Dénès, George; Merazig, Hocine","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","IUCrData","2024","9","8","x240826","","10.1107/S2414314624008265","","","0.71073","MoKα","","0.0132","0.0127","","","0.0325","0.033","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572540","7.3526","0.001","8.3354","0.0013","10.4053","0.0017","97.221","0.006","102.413","0.006","111.334","0.005","565.36","0.15","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]","","- C9 H8 Co N8 -","- C9 H8 Co N8 -","- C18 H16 Co2 N16 -","2","1","BT4154","Setifi, Fatima; Setifi, Zouaoui; Geiger, David K.; Al-Douh, Mohammed Hadi; Addala, Abderezak","catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]","IUCrData","2024","9","9","x240849","","10.1107/S2414314624008496","","","0.71073","MoKα","","0.0361","0.0314","","","0.0848","0.0875","","","","","","1.058","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572541","9.342","0.003","10.524","0.003","11.967","0.004","73.831","0.01","79.643","0.011","72.648","0.01","1072.6","0.6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)prop-2-en-1-one","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","HB4483","Sung, Jiha","(E)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one","IUCrData","2024","9","9","x240866","","10.1107/S2414314624008666","","","0.71073","MoKα","","0.0595","0.0443","","","0.1065","0.1154","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572564","12.7605","0.0002","22.4142","0.0004","25.0233","0.0004","90","","93.055","0.001","90","","7146.9","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylideneκ<i>C</i>]silver(I)} chloride 1,2-dichloroethane hemisolvate","","- C77 H82 Ag2 Cl3 N8 -","- C77 H82 Ag2 Cl3 N8 -","- C308 H328 Ag8 Cl12 N32 -","4","1","ZL4077","Malek, Kotiba; Arumugam, Kuppuswamy","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate","IUCrData","2024","9","9","x240861","","10.1107/S2414314624008617","","","1.54178","CuKα","","0.039","0.0365","","","0.0903","0.0929","","","","","","1.059","","","","has coordinates,has disorder","300370","2025-07-05","10:14:45",""
"1572653","15.3094","0.0013","15.3094","0.0013","15.315","0.002","90","","90","","90","","3589.5","0.6","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","Δ-Bis[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(III) hexafluoridophosphate","","- C36 H36 F6 N4 O4 P Ru -","- C36 H36 F6 N4 O4 P Ru -","- C144 H144 F24 N16 O16 P4 Ru4 -","4","0.5","WM4221","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)ruthenium(III) hexafluoridophosphate","IUCrData","2024","9","9","x240893","","10.1107/S2414314624008939","","","0.71073","MoKα","","0.0569","0.038","","","0.0968","0.1073","","","","","","1.037","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572654","7.341","0.0001","7.341","0.0001","64.8549","0.0013","90","","90","","90","","3495.05","0.1","150","0.1","150","0.1","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1<i>R</i>,2<i>S</i>,4a<i>R</i>,6<i>S</i>,8<i>R</i>,8a<i>S</i>)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","","- C18 H28 O4 -","- C18 H28 O4 -","- C144 H224 O32 -","8","1","BV4052","Botha, Christo J.; Fouche, Gerda; Malan, Frederick P.","(1R,2S,4aR,6S,8R,8aS)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","IUCrData","2024","9","9","x240885","","10.1107/S241431462400885X","","x-ray","1.54184","CuKα","","0.0458","0.0442","","","0.0966","0.0973","","","","","","1.131","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572655","8.2105","0.0003","14.4478","0.0006","15.2042","0.0008","90","","101.694","0.002","90","","1766.14","0.14","302","2","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis[(2,2'-dipyridylamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] trihydrate","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis{[<i>N</i>-(pyridin-2-yl-κ<i>N</i>)pyridin-2-amine-κ<i>N</i>^1^]zinc(II)} trihydrate","","- C32 H40 N6 O11 Zn2 -","- C32 H40 N6 O11 Zn2 -","- C64 H80 N12 O22 Zn4 -","2","0.5","WM4220","Setifi, Fatima; Setifi, Zouaoui; Pham Chien, Thang; Al-Douh, Mohammad Hadi; Addala, Abderezak","Di-μ-adipato-κ4 O 1,O 1′:O 6,O 6′-bis[(2,2′-dipyridylamine-κ2 N,N′)zinc(II)] trihydrate","IUCrData","2024","9","9","x240906","","10.1107/S2414314624009064","","","0.71073","MoKα","","0.0856","0.0435","","","0.0883","0.1023","","","","","","1.02","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572656","6.9208","0.0004","13.2576","0.0008","14.5513","0.0009","110.068","0.003","90.497","0.003","100.082","0.003","1231.29","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diytterbium enneaoxidotritellurate(IV)","","- O9 Te3 Yb2 -","- O9 Te3 Yb2 -","- O54 Te18 Yb12 -","6","3","WM4219","Höss, Patrick; Chou, Sheng-Chun; Russ, Philip L.; Locke, Ralf J. C.; Schleid, Thomas","C-type Yb2Te3O9","IUCrData","2024","9","9","x240888","","10.1107/S2414314624008885","","","0.71069","MoKα","","0.0419","0.0325","","","0.0618","0.0651","","","","","","1.055","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572657","11.9299","0.0008","21.6278","0.0017","8.2665","0.0006","90","","108.251","0.006","90","","2025.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-[2'(2''-Methoxycarbonylethyl)-1',3',5',7'-tetramethyl-4',4'-difluoro-4'-bora-3a',4a'-diaza-s-indacen-6'-yl]propionic acid methyl ester","Methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacen-6-yl}propionate","","- C21 H27 B F2 N2 O4 -","- C21 H27 B F2 N2 O4 -","- C84 H108 B4 F8 N8 O16 -","4","1","HB4485","Schollmeyer, Dieter; Jochen, Matthias; Detert, Heiner","Redetermined structure of methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacen-6-yl}propionate","IUCrData","2024","9","9","x240884","","10.1107/S2414314624008848","","","0.71073","MoKα","","0.1757","0.0895","","","0.1824","0.2379","","","","","","1.094","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572725","11.323","0.004","11.323","0.004","11.323","0.004","90","","90","","90","","1451.7","0.9","296","2","296","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium diiron carbide oxide","","- C0.82 Fe2 O0.18 Ti4 -","- C0.82 Fe2 O0.18 Ti4 -","- C13.12 Fe32 O2.88 Ti64 -","16","0.0833333","WM5714","Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Ti4Fe2C0.82O0.18","IUCrData","2024","9","9","x240890","","10.1107/S2414314624008903","","","0.71073","MoKα","","0.0399","0.0218","","","0.0371","0.0399","","","","","","1.142","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572726","13.19118","0.00017","13.558","0.0002","38.8216","0.0007","90","","91.4236","0.0014","90","","6940.95","0.18","100","","100","0.4","","","","","","","","8","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","","- C34.5 H43 B Cl F4 Ir N3 P -","- C34.5 H43 B Cl F4 Ir N3 P -","- C276 H344 B8 Cl8 F32 Ir8 N24 P8 -","8","2","TK4109","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","IUCrData","2024","9","9","x240941","","10.1107/S2414314624009416","","","0.71073","MoKα","","0.0532","0.0506","","","0.1316","0.1331","","","","","","1.078","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572727","10.373","0.004","5.1899","0.0014","7.557","0.003","90","","99.94","0.03","90","","400.7","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromoacetamide","","- C2 H4 Br N O -","- C2 H4 Br N O -","- C8 H16 Br4 N4 O4 -","4","1","BH4089","Schwarzer, Anke; Stapf, Manuel","2-Bromoacetamide","IUCrData","2024","9","9","x240863","","10.1107/S2414314624008630","","x-ray","0.71073","MoKα","","0.0362","0.0275","","","0.0654","0.0682","","","","","","1.044","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572816","4.9897","0.0004","21.8014","0.0019","11.3394","0.0009","90","","92.995","0.008","90","","1231.84","0.18","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(<i>Z</i>)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C11 H11 N3 O S2 -","- C11 H11 N3 O S2 -","- C44 H44 N12 O4 S8 -","4","1","HB4486","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","10","x240967","","10.1107/S2414314624009672","","x-ray","1.54184","CuKα","","0.1403","0.0788","","","0.1493","0.1853","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572817","7.3781","0.0006","8.005","0.0006","12.1306","0.0008","90","","99.767","0.007","90","","706.07","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dimethylpiperazine-2,3-dione","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","HB4484","Khamrang, Themmila; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham","1,4-Dimethylpiperazine-2,3-dione","IUCrData","2024","9","10","x240936","","10.1107/S2414314624009362","","","0.71073","MoKα","","0.0849","0.0634","","","0.1646","0.1814","","","","","","1.065","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572818","17.7036","0.0016","5.8468","0.0006","31.418","0.003","90","","90","","90","","3252.1","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>,<i>N</i>'-diphenylbenzimidamide <i>N</i>'-oxide","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","HB4487","Saha, Arindam; Chartrand, Daniel; Cibian, Mihaela; Maris, Thierry; Hanan, Garry S.","4-Bromo-N,N′-diphenylbenzimidamide N′-oxide","IUCrData","2024","9","10","x240968","","10.1107/S2414314624009684","","x-ray","1.34139","GaKα","","0.078","0.055","","","0.1396","0.1581","","","","","","1.071","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572954","6.5088","0.0006","5.1758","0.0005","12.2175","0.0014","90","","101.649","0.01","90","","403.11","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-<i>N</i>-(4-hydroxyphenyl)acetamide","","- C8 H8 Cl N O2 -","- C8 H8 Cl N O2 -","- C16 H16 Cl2 N2 O4 -","2","1","TK4111","El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Ameziane El Hassani, Issam; Alsubari, Abdulsalam; Guerrab, Walid; A. Said, Musa; Ramli, Youssef","","IUCrData","2024","9","10","x241015","","10.1107/S2414314624010150","","","0.71073","MoKα","","0.06","0.039","","","0.0694","0.0809","","","","","","1.061","","","","has coordinates","300305","2025-07-03","09:18:37",""
"1572955","16.565","0.002","9.7051","0.0013","19.708","0.003","90","","99.376","0.007","90","","3126","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>meso</i>-5,15-Bis[3-(isopropylidenegalactopyranoxy)phenyl]-\ 10,20-bis(4-methylphenyl)porphyrin","<i>meso</i>-5,15-Bis{4-[{4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl)methoxy]phenyl}-10,20-bis(4-methylphenyl)porphyrin","","- C70 H70 N4 O12 -","- C70 H70 N4 O12 -","- C140 H140 N8 O24 -","2","1","BT4156","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","","IUCrData","2024","9","10","x241028","","10.1107/S2414314624010289","","","0.71075","MoKα","","0.235","0.0823","","","0.139","0.186","","","","","","0.93","","","","has coordinates","300305","2025-07-03","09:18:39",""
"1572956","10.1243","0.0004","23.941","0.001","7.5053","0.0003","90","","91.315","0.003","90","","1818.7","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-1-[(2-methoxyphenyl)amino]methanimine oxide","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","TK4110","Juma, David O.; Omondi, Bernard; Zamisa, Sizwe J.; Munzeiwa, Wisdom","","IUCrData","2024","9","10","x240988","","10.1107/S241431462400988X","","","0.71073","MoKα","","0.0747","0.0436","","","0.0954","0.1077","","","","","","1.033","","","","has coordinates","300305","2025-07-03","09:18:41",""
"1572990","20.5205","0.0009","8.1626","0.0003","9.4732","0.0004","90","","90.788","0.004","90","","1586.62","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","","- C14 H20 Cl N O5 -","- C14 H20 Cl N O5 -","- C56 H80 Cl4 N4 O20 -","4","1","BT4157","Schollmeyer, Dieter; Proz, Igor; Detert, Heiner","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","IUCrData","2024","9","10","x241032","","10.1107/S2414314624010320","","","0.71073","MoKα","","0.045","0.0375","","","0.0927","0.0995","","","","","","1.069","","","","has coordinates,has disorder","300370","2025-07-05","10:14:47",""
"1572991","7.929","0.0007","15.3027","0.0015","10.0486","0.0006","90","","90","","90","","1219.25","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(1<i>H</i>-Benzodiazol-2-ylmethyl)diethylamine","","- C12 H17 N3 -","- C12 H17 N3 -","- C48 H68 N12 -","4","1","HB4488","Khamrang, Themmila; Kannan, A.; Hemamalini, Madhukar; Tahir, Muhammad Nawaz; Antony, G. Jerald Maria; Saravanan, Dhandayutham","(1H-Benzodiazol-2-ylmethyl)diethylamine","IUCrData","2024","9","10","x241006","","10.1107/S241431462401006X","","","0.71073","MoKα","","0.139","0.0657","","","0.1101","0.1296","","","","","","1.181","","","","has coordinates,has disorder","300370","2025-07-05","10:14:47",""
"1572992","24.8929","0.0009","8.5889","0.0004","11.2678","0.0004","90","","103.026","0.0012","90","","2347.09","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzilic acid","2,2-Diphenyl-2-hydroxyethanoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","BT4158","Prinsloo, Petrus; Hosten, Eric Cyriel; Betz, Richard","Benzilic acid: a monoclinic polymorph","IUCrData","2024","9","10","x241039","","10.1107/S2414314624010393","","","0.71073","MoKα","","0.0973","0.0808","","","0.1571","0.1748","","","","","","1.267","","","","has coordinates","300370","2025-07-05","10:14:48",""
"1573077","7.5555","0.0009","15.7119","0.0017","7.4892","0.0008","90","","90","","90","","889.05","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3a<i>H</i>,4<i>H</i>,5<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-Cycloocta[<i>d</i>][1,3]dioxole-2-thione","","- C9 H12 O2 S -","- C9 H12 O2 S -","- C36 H48 O8 S4 -","4","1","BT4155","Schollmeyer, Dieter; Kammler, Claudia; Detert, Heiner","3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione","IUCrData","2024","9","11","x241019","","10.1107/S2414314624010198","","","0.71073","MoKα","","0.1109","0.0698","","","0.1361","0.1594","","","","","","1.096","","","","has coordinates,has disorder","300370","2025-07-05","10:14:56",""
"1573078","8.6822","0.0002","10.0623","0.0002","16.5504","0.0004","77.201","0.001","84.053","0.001","73.839","0.001","1352.89","0.05","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","2","BH4090","Nyapola, Carren; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","IUCrData","2024","9","11","x241049","","10.1107/S2414314624010496","","x-ray","0.71073","MoKα","","0.0611","0.0438","","","0.1147","0.1271","","","","","","1.053","","","","has coordinates,has disorder","300370","2025-07-05","10:14:57",""
"1573079","7.5771","0.0005","21.128","0.0014","11.2665","0.0007","90","","95.835","0.002","90","","1794.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(4-chlorophenyl) phosphate","Tris(4-chlorophenyl) phosphate","","- C18 H12 Cl3 O4 P -","- C18 H12 Cl3 O4 P -","- C72 H48 Cl12 O16 P4 -","4","1","HB4490","Birch, Joshua; Hosten, Eric Cyriel; Betz, Richard","Tris(4-chlorophenyl) phosphate","IUCrData","2024","9","11","x241061","","10.1107/S2414314624010617","","","0.71073","MoKα","","0.0443","0.0376","","","0.0912","0.0969","","","","","","1.118","","","","has coordinates","300370","2025-07-05","10:14:59",""
"1573080","47.848","0.005","14.2452","0.0014","27.679","0.002","90","","90","","90","","18866","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,4-Bis(neopentyloxy)pillar[5]arene","","- C95 H140 N2 O10 -","- C95 H140 N2 O10 -","- C760 H1120 N16 O80 -","8","0.5","BT4159","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system","IUCrData","2024","9","11","x241073","","10.1107/S2414314624010733","","","0.71075","MoKα","","0.1504","0.0678","","","0.1548","0.1921","","","","","","0.993","","","","has coordinates,has disorder","300370","2025-07-05","10:15:00",""
"1573175","7.8436","0.0003","13.8612","0.0004","25.8433","0.0007","90","","90","","90","","2809.73","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-Dichloro-6-{<i>N</i>-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","","- C14 H8 Cl2 F3 N O -","- C14 H8 Cl2 F3 N O -","- C112 H64 Cl16 F24 N8 O8 -","8","1","PK4045","Xantini, Zizipho; Muller, Alfred; Lammertsma, Koop","2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","IUCrData","2024","9","11","x241074","","10.1107/S2414314624010745","","","0.71073","MoKα","","0.0467","0.0362","","","0.1024","0.1112","","","","","","1.06","","","","has coordinates","300370","2025-07-05","10:15:01",""
"1573207","11.15335","0.00007","17.41068","0.00009","14.0624","0.00009","90","","108.155","0.0007","90","","2594.8","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>RS</i>,3<i>SR</i>,4<i>RS</i>)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C104 H136 N8 O40 -","8","2","HB4491","Mohd Rosli, Nor Habibah; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","IUCrData","2024","9","11","x241088","","10.1107/S2414314624010885","","x-ray","1.54184","CuKα","","0.0385","0.0361","","","0.1051","0.107","","","","","","1.077","","","","has coordinates,has disorder","300370","2025-07-05","10:15:06",""
"1573208","9.4438","0.0004","7.9296","0.0003","18.6153","0.0008","90","","90","","90","","1394.02","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]","","- C14 H10 N2 S2 Sn -","- C14 H10 N2 S2 Sn -","- C56 H40 N8 S8 Sn4 -","4","0.5","TK4112","Pancratz, Ann-Kathrin; Kamrowski, Anne; Reuter, Hans","catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2 N:S thiocyanato ligands","IUCrData","2024","9","11","x241093","","10.1107/S2414314624010939","","","0.71073","MoKα","","0.0252","0.0208","","","0.0516","0.0553","","","","","","1.08","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573209","7.9646","0.0006","17.083","0.0015","8.0572","0.0006","90","","111.425","0.006","90","","1020.5","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(10<i>Z</i>)-4<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole","","- C10 H14 N2 Se -","- C10 H14 N2 Se -","- C40 H56 N8 Se4 -","4","1","BT4160","Schollmeyer, Dieter; Detert, Heiner","(10Z)-4H,5H,6H,7H,8H,9H-Cyclodeca[d][1,2,3]selenadiazole","IUCrData","2024","9","11","x241107","","10.1107/S2414314624011076","","","0.71073","MoKα","","0.0406","0.03","","","0.0624","0.0674","","","","","","1.124","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573262","11.1017","0.0005","12.6011","0.0007","30.7804","0.0017","90","","96.1058","0.0018","90","","4281.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triphenylphosphonium trichloridotriphenylphosphanecobaltate(II) benzene solvate","Triphenylphosphonium trichlorido(triphenylphosphane-κ<i>P</i>)cobaltate(II) benzene disolvate","","- C48 H43 Cl3 Co P2 -","- C48 H43 Cl3 Co P2 -","- C192 H172 Cl12 Co4 P8 -","4","1","WM4224","Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard","Triphenylphosphonium trichlorido(triphenylphosphane-κP)cobaltate(II) benzene disolvate","IUCrData","2024","9","11","x241121","","10.1107/S2414314624011210","","","0.71073","MoKα","","0.0419","0.0318","","","0.0709","0.0807","","","","","","1.104","","","","has coordinates,has disorder","300370","2025-07-05","10:15:06",""
"1573263","6.1616","0.0003","22.3074","0.001","5.0396","0.0002","90","","99.356","0.001","90","","683.47","0.05","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5,6-Trichloropyridin-2-ol","","- C5 H2 Cl3 N O -","- C5 H2 Cl3 N O -","- C20 H8 Cl12 N4 O4 -","4","1","HB4494","Vaughn, Tashonda M.; Soheil, Saneei; Ogundele, Olalekan M.; Fronczek, Frank R.; Uppu, Rao M.","3,5,6-Trichloropyridin-2-ol","IUCrData","2024","9","11","x241126","","10.1107/S241431462401126X","","","0.56086","AgKα","","0.0362","0.0343","","","0.0719","0.0725","","","","","","1.325","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573264","7.7496","0.0005","9.3778","0.0006","16.6178","0.001","79.516","0.003","83.962","0.003","69.52","0.003","1111.33","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis(azido-κ<i>N</i>^1^)bis(2,2'-dipyridylamine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iron(II) monohydrate","","- C20 H20 Fe N12 O -","- C20 H20 Fe N12 O -","- C40 H40 Fe2 N24 O2 -","2","1","WM4222","Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak","Bis(azido-κN 1)bis(2,2′-dipyridylamine-κ2 N 1,N 1′)iron(II) monohydrate","IUCrData","2024","9","11","x241116","","10.1107/S2414314624011167","","","0.71073","MoKα","","0.0736","0.0373","","","0.0854","0.1085","","","","","","1.094","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573366","6.4352","0.0004","12.2697","0.0011","15.5936","0.001","90","","90.29","0.003","90","","1231.22","0.16","100","2","100.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H12 Br N3 O3 -","- C11 H12 Br N3 O3 -","- C44 H48 Br4 N12 O12 -","4","1","TK4113","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide","IUCrData","2024","9","11","x241138","","10.1107/S2414314624011386","","","0.71073","MoKα","","0.0182","0.017","","","0.0366","0.0369","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573367","7.7366","0.0003","29.5787","0.001","7.3852","0.0003","90","","91.962","0.002","90","","1689.03","0.11","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-(2-Methoxyphenyl)-2,2':6',2''-terpyridine","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","HB4497","Njogu, Eric M.; Juma, David O.; Zamisa, Sizwe J.; Omondi, Bernard; Nyamori, Vincent O.","4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine","IUCrData","2024","9","11","x241143","","10.1107/S241431462401143X","","x-ray","0.71073","MoKα","","0.047","0.041","","","0.1141","0.1189","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573386","9.8411","0.0004","12.3319","0.0005","21.0912","0.001","90","","94.254","0.004","90","","2552.56","0.19","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","BT4161","Schollmeyer, Dieter; Jirsch, Paul; Detert, Heiner","rac-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","IUCrData","2024","9","12","x241144","","10.1107/S2414314624011441","","","0.71073","MoKα","","0.048","0.0403","","","0.1029","0.1095","","","","","","1.031","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573387","8.8768","0.0003","18.3002","0.0007","10.5053","0.0003","90","","95.942","0.003","90","","1697.39","0.1","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-pyrazole","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C88 H68 Cl4 N8 -","4","1","HB4496","Koch, Pierre; Schollmeyer, Dieter","1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole","IUCrData","2024","9","12","x241152","","10.1107/S2414314624011520","","","0.71073","MoKα","","0.0627","0.0369","","","0.0805","0.089","","","","","","0.996","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573530","8.3617","0.0005","9.8067","0.0006","10.1251","0.0005","100.206","0.003","90.276","0.003","90.5","0.003","817.08","0.08","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis(quinoline-8-amine-κ^2^<i>N</i>,<i>N</i>')bis(1,1,3,3-tetracyano-2-methoxypropenido-κ<i>N</i>)iron(II)","","- C34 H22 Fe N12 O2 -","- C34 H22 Fe N12 O2 -","- C34 H22 Fe N12 O2 -","1","0.5","ZL4078","Setifi, Fatima; Setifi, Zouaoui; Böhme, Uwe; Al-Douh, Mohammad Hadi; Satour, Achouak","trans-Bis(quinoline-8-amine-κ2 N,N′)bis(1,1,3,3-tetracyano-2-methoxypropenido-κN)iron(II)","IUCrData","2024","9","12","x241219","","10.1107/S2414314624012197","","","0.71073","MoKα","","0.0495","0.0385","","","0.0955","0.1037","","","","","","1.058","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573531","10.17216","0.00008","9.2432","0.00006","17.64603","0.00014","90","","101.511","0.0008","90","","1625.77","0.02","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","1","HB4500","Abdul Rashid, Fatin Nur Ain; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Bakhtiar Afendy, Ayisy Amirul Afti; Cordes, David B.; McKay, Aidan P.","Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate","IUCrData","2024","9","12","x241222","","10.1107/S2414314624012227","","x-ray","1.54184","CuKα","","0.0436","0.04","","","0.104","0.1064","","","","","","1.057","","","","has coordinates,has disorder","300370","2025-07-05","10:15:07",""
"1573532","12.7044","0.0014","10.5123","0.0017","18.2491","0.0019","90","","105.372","0.012","90","","2350","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Bromo-9,9-diethyl-<i>N</i>,<i>N</i>-diphenylfluoren-2-amine","","- C29 H26 Br N -","- C29 H26 Br N -","- C116 H104 Br4 N4 -","4","1","HB4495","Khamrang, Themmila; Kannan, A.; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham","6-Bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine","IUCrData","2024","9","12","x241176","","10.1107/S2414314624011763","","","0.71073","MoKα","","0.0944","0.0479","","","0.0964","0.1168","","","","","","1.021","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573539","5.0748","0.0003","12.9872","0.0008","20.6243","0.0012","90","","90","","90","","1359.29","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Iodoaniline","3-Iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C48 H48 I8 N8 -","8","2","BX4032","Slamang, Ferhan; Hosten, Eric Cyriel; Betz, Richard","3-Iodoaniline","IUCrData","2024","9","12","x241226","","10.1107/S2414314624012264","","","0.71073","MoKα","","0.0549","0.0481","","","0.0772","0.0794","","","","","","1.25","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573540","8.792","0.005","11.674","0.007","24.976","0.014","90","","92.06","0.02","90","","2562","3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[μ~2~-1,4-bis(pyridin-3-ylmethyl)piperazine][μ~2~-4-(2-carboxylatoethyl)benzoato]cobalt(II)]","","- C26 H32 Co N4 O6 -","- C26 H32 Co N4 O6 -","- C104 H128 Co4 N16 O24 -","4","1","PK4046","Ezenyilimba, Frederick C.; LaDuca, Robert L.","Poly[diaqua[μ2-1,4-bis(pyridin-3-ylmethyl)piperazine][μ2-4-(2-carboxylatoethyl)benzoato]cobalt(II)]","IUCrData","2024","9","12","x241225","","10.1107/S2414314624012252","","","0.71073","MoKα","","0.1128","0.0639","","","0.1238","0.1427","","","","","","1.019","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573568","7.03475","0.00005","5.65165","0.00005","9.70464","0.00007","90","","106.852","0.0004","90","","369.267","0.005","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) sulfate dihydrate","","- H4 O10 S2 Sn -","- H4 O10 S2 Sn -","- H8 O20 S4 Sn2 -","2","0.5","WM4223","Fjellvåg, Øystein Slagtern; Fjellvåg, Helmer","Sn(SO4)2·2H2O from synchrotron powder data","IUCrData","2024","9","12","x241179","","10.1107/S2414314624011799","powder diffraction","x-ray","1.00098","Synchrotron","","0.0454","0.0429","","0.0473","0.0471","","","","1.9474","","","","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573569","6.7708","0.0001","17.2107","0.0002","12.3465","0.0002","90","","98.184","0.001","90","","1424.09","0.04","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-1,3-benzodiazol-3-ium bromide","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium bromide","","- C15 H14 Br N3 O3 -","- C15 H14 Br N3 O3 -","- C60 H56 Br4 N12 O12 -","4","1","HB4498","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide","IUCrData","2024","9","12","x241168","","10.1107/S2414314624011684","","","0.71073","MoKα","","0.0299","0.0219","","","0.0539","0.0569","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:15:07",""
"2310194","14.15","","4.31","","5.73","","90","","90","","90","","349.453","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Th -","- Ni Th -","- Ni8 Th8 -","8","1","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310195","9.86","","9.86","","6.23","","90","","90","","120","","524.533","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ni3 Th7 -","- Ni3 Th7 -","- Ni6 Th14 -","2","0.166667","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310196","8.37","","8.37","","8.14","","90","","90","","120","","493.862","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni17 Th2 -","- Ni17 Th2 -","- Ni34 Th4 -","2","0.0833333","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310197","9.68","","8.56","","6.46","","90","","99.33","","90","","528.2","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Fe17 Th2 -","- Fe17 Th2 -","- Fe34 Th4 -","2","0.25","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310218","8.98","","8.98","","4.64","","90","","90","","90","","374.171","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","(Ni4.56 V10.44)","","- Ni4.56 V10.44 -","- Ni4.556 V10.444 -","- Ni9.112 V20.888 -","2","0.125","","Kasper, J.S.; Waterstrat, R.M.","Ordering of atoms in the sigma phase","Acta Crystallographica (1,1948-23,1967)","1956","9","","289","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","141489","2020-10-21","18:00:00",""
"2310284","8.81","","8.81","","4.56","","90","","90","","90","","353.929","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co7 Cr8 -","- Co7 Cr8 -","- Co14 Cr16 -","2","0.125","","Dickins, G.J.; Douglas, A.M.B.; Taylor, W.H.","The crystal structure of the Co-Cr sigma phase","Acta Crystallographica (1,1948-23,1967)","1956","9","","297","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310287","3.74","","10.88","","4.16","","90","","90","","90","","169.275","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Co Th -","- Co Th -","- Co4 Th4 -","4","0.25","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. II. Systems with iron. cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310336","13.15","","5.32","","6.72","","90","","90","","90","","470.118","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sr Zn5 -","- Sr Zn5 -","- Sr4 Zn20 -","4","0.5","","Baenziger, N.C.; Conant, J.W.","The crystal structures of Sr Zn5 and Ba Zn5","Acta Crystallographica (1,1948-23,1967)","1956","9","","361","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310345","6.58","","11.4","","6.94","","90","","90","","90","","520.583","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Zr F6)","","- F6 K2 Zr -","- F6 K2 Zr -","- F24 K8 Zr4 -","4","0.25","","Bode, H.; Teufer, G.","Die Kristallstruktur des Kaliumhexafluorozirkonats und Kaliumhexafluorohafnats","Acta Crystallographica (1,1948-23,1967)","1956","9","","929","933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310527","11.65","","11.65","","11.65","","90","","90","","90","","1581.17","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Mg6 Si7 Cu16","","- Cu16 Mg6 Si7 -","- Cu16 Mg6 Si7 -","- Cu64 Mg24 Si28 -","4","0.0208333","","Bergman, G.; Waugh, L.H.","The crystal structure of the intermetallic compound Mg6 Si7 Cu16","Acta Crystallographica (1,1948-23,1967)","1956","9","","214","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","150469","2020-10-21","18:00:00",""
"2310544","17.08","","17.08","","7.69","","90","","90","","90","","2243.38","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","(Zr O) Cl2 (H2 O)8","","- Cl2 H16 O9 Zr -","- Cl2 O9 Zr -","- Cl16 O72 Zr8 -","8","1","","Clearfield, A.; Vaughan, P.A.","The crystal structure of zirconyl chloride octahydrate and zirconyl bromide octahydrate","Acta Crystallographica (1,1948-23,1967)","1956","9","","555","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310545","17.65","","17.65","","7.95","","90","","90","","90","","2476.6","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Zr O Br2 (H2 O)8","","- Br2 H16 O9 Zr -","- Br2 O9 Zr -","- Br16 O72 Zr8 -","8","1","","Clearfield, A.; Vaughan, P.A.","The Crystal Structure of Zirconyl Chloride Octahydrate and Zirconyl Bromide Octahydrate","Acta Crystallographica (1,1948-23,1967)","1956","9","","555","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310549","9.9","","9.9","","5.32","","90","","90","","90","","521.413","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Ce (I O3)4","","- Ce I4 O12 -","- Ce I4 O12 -","- Ce2 I8 O24 -","2","0.25","","Cromer, D.T.; Larson, A.C.","The Crystal Structure of Ce (I O3)4","Acta Crystallographica (1,1948-23,1967)","1956","9","","1015","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310568","6.404","","6.559","","6.586","","90","","119.51","","90","","240.749","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Na2 (S2 O4)","","- Na2 O4 S2 -","- Na2 O4 S2 -","- Na4 O8 S4 -","2","0.5","","Dunitz, J.D.","The structure of sodium dithionite and the nature of the dithionite ion","Acta Crystallographica (1,1948-23,1967)","1956","9","","579","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310576","9.372","","9.372","","9.372","","90","","90","","90","","823.184","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Th3 Sb4","","- Sb4 Th3 -","- Sb4 Th3 -","- Sb16 Th12 -","4","0.0833333","","Ferro, R.","The crystal structures of thorium antimonides","Acta Crystallographica (1,1948-23,1967)","1956","9","","817","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","150752","2020-10-21","18:00:00",""
"2310577","4.353","","4.353","","9.172","","90","","90","","90","","173.797","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Th Sb2","","- Sb2 Th -","- Sb2 Th -","- Sb4 Th2 -","2","0.125","","Ferro, R.","The crystal structures of thorium antimonides","Acta Crystallographica (1,1948-23,1967)","1956","9","","817","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310593","9.41","","3.93","","16.892","","90","","103.03","","90","","608.604","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Ba O (Ti O2)2","","- Ba O5 Ti2 -","- Ba O5 Ti2 -","- Ba6 O30 Ti12 -","6","0.75","","Harrison, F.W.","The crystal structure of barium dititanate, Ba O (Ti O2)2","Acta Crystallographica (1,1948-23,1967)","1956","9","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310595","5.684","","3.977","","5.74","","90","","90","","90","","129.754","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","(C N) Cl","","- C Cl N -","- C Cl N -","- C2 Cl2 N2 -","2","0.25","","Heiart, R.B.; Carpenter, G.B.","The crystal structure of cyanogen chloride","Acta Crystallographica (1,1948-23,1967)","1956","9","","889","895","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310602","10.18","","9.43","","5.25","","90","","110.53","","90","","471.978","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li (As O3)","","- As Li O3 -","- As Li O3 -","- As8 Li8 O24 -","8","1","","Hilmer, W.","Die Kristallstruktur von Lithiumpolyarsenat (Li As O3)x","Acta Crystallographica (1,1948-23,1967)","1956","9","","87","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310605","9.57","","14.92","","8","","90","","97.99","","90","","1131.19","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ce (I O3)4 H2 O","","- Ce H2 I4 O13 -","- Ce I4 O13 -","- Ce4 I16 O52 -","4","1","","Ibers, J.A.","The Crystal Structure of Ceric Iodate Monohydrate","Acta Crystallographica (1,1948-23,1967)","1956","9","","225","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310606","7.352","","7.352","","7.235","","90","","90","","120","","338.673","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K (As F6)","","- As F6 K -","- As F6 K -","- As3 F18 K3 -","3","0.0833333","","Ibers, J.A.","A note on the least-squares method: The refinement of the structure of K As F6","Acta Crystallographica (1,1948-23,1967)","1956","9","","967","969","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310611","12.43","","7.458","","7.175","","90","","90.18","","90","","665.14","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2 N H (S O3)2","","- H K2 N O6 S2 -","- H K2 N O6 S2 -","- H4 K8 N4 O24 S8 -","4","0.5","","Jeffrey, G. A.; Jones, D. W.","The Crystal Structure of Potassium Aminedisulphonate","Acta Crystallographica (1,1948-23,1967)","1956","9","3","283","289","10.1107/S0365110X56000796","","","","","","","","","","","","","","","","","","","","","has coordinates","189486","2020-10-21","18:00:00",""
"2310621","5.871","","3.561","","6.763","","90","","90","","90","","141.392","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb D2","","- D2 Yb -","- D2 Yb -","- D8 Yb4 -","4","0.5","","Korst, W.L.; Warf, J.C.","The crystal structure of the deuterides of ytterbium and europium","Acta Crystallographica (1,1948-23,1967)","1956","9","","452","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310624","8.07","","7.44","","7.32","","90","","91.5","","104","","426.288","","","","","","","","","","","","","3","P -1","-P 1","2","","Na (As O3)","","- As Na O3 -","- As Na O3 -","- As6 Na6 O18 -","6","3","","Liebau, F.","Ueber die Kristallstruktur des Natriumpolyarsenats, (Na As O3)x","Acta Crystallographica (1,1948-23,1967)","1956","9","","811","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310630","5.61","","11.89","","6.46","","98.6","","118","","83.4","","375.691","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca (H2 P O4)2 H2 O","","- Ca H6 O9 P2 -","- Ca O9 P2 -","- Ca2 O18 P4 -","2","1","","MacLennan, G.; Beevers, C.A.","The Crystal Structure of Monocalcium Phosphate Monohydrate, Ca (H2 P O4)2 H2 O","Acta Crystallographica (1,1948-23,1967)","1956","9","","187","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310636","5.308","","7.851","","6.767","","90","","90","","90","","282.002","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","In P O4","","- In O4 P -","- In O4 P -","- In4 O16 P4 -","4","0.25","","Mooney, R.C.L.","Crystal Structure of Anhydrous Indium Phosphate and Thallic Phosphate by X-ray Diffraction","Acta Crystallographica (1,1948-23,1967)","1956","9","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310637","5.395","","8.01","","7.071","","90","","90","","90","","305.566","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tl P O4","","- O4 P Tl -","- O4 P Tl -","- O16 P4 Tl4 -","4","0.25","","Mooney, R.C.L.","Crystal Structure of Anhydrous Indium Phosphate and Thallic Phosphate by X-ray Diffraction","Acta Crystallographica (1,1948-23,1967)","1956","9","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310638","6.578","","6.578","","5.796","","90","","90","","90","","250.793","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Sc P O4","","- O4 P Sc -","- O4 P Sc -","- O16 P4 Sc4 -","4","0.125","","Mooney, R.C.L.","The Structure of anhydrous scandium phosphate","Acta Crystallographica (1,1948-23,1967)","1956","9","","677","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310639","6.967","","6.967","","6.866","","90","","90","","90","","333.269","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Ga (P O4)","","- Ga O4 P -","- Ga O4 P -","- Ga4 O16 P4 -","4","0.5","","Mooney, R.C.L.","The crystal structure of aluminum phosphate and gallium phosphate, low-cristobalite type","Acta Crystallographica (1,1948-23,1967)","1956","9","","728","734","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310656","3.311","","5.526","","3.526","","90","","90","","90","","64.514","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","","","- Hg O -","- Hg O -","- Hg2 O2 -","2","0.25","","Roth, W.L.","The Structure of Mercuric Oxide","Acta Crystallographica (1,1948-23,1967)","1956","9","","277","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","303130","2025-11-01","10:28:42",""
"2310659","19.53","","5.92","","9.48","","90","","144","","90","","644.245","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hg4 O2 Cl2","","- Cl2 Hg4 O2 -","- Cl2 Hg4 O2 -","- Cl8 Hg16 O8 -","4","0.5","","Scavnicar, S.","The crystal structure of oxy-mercuric-mercurous chloride, (Hg O)2 Hg2 Cl2","Acta Crystallographica (1,1948-23,1967)","1956","9","","956","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","151587","2020-10-21","18:00:00",""
"2310662","9.36","","5.395","","4.675","","90","","90","","90","","236.074","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Li2 (Si O3)","","- Li2 O3 Si -","- Li2 O3 Si -","- Li8 O12 Si4 -","4","0.5","","Seemann, H.","Die Kristallstruktur des Lithiummetasilikates, (Li2 Si O3)x","Acta Crystallographica (1,1948-23,1967)","1956","9","","251","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310666","4.681","","4.681","","4.681","","90","","90","","90","","102.569","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Hf D1.628","","- D1.628 Hf -","- D1.628 Hf -","- D6.512 Hf4 -","4","0.0208333","","Sidhu, S.S.; Heaton, L.R.; Zauberis, D.D.","Neutron diffraction studies of hafnium-hydrogen and titanium-hydrogen systems","Acta Crystallographica (1,1948-23,1967)","1956","9","","607","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310667","6.174","","6.174","","11.103","","90","","90","","90","","423.227","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","K (Br F4)","","- Br F4 K -","- Br F4 K -","- Br4 F16 K4 -","4","0.125","","Siegel, S.","The crystal structure of K Br F4","Acta Crystallographica (1,1948-23,1967)","1956","9","","493","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310668","7.614","","7.614","","6.038","","90","","90","","120","","303.144","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Th Cl6","","- Cl6 Cs2 Th -","- Cl6 Cs2 Th -","- Cl6 Cs2 Th -","1","0.0833333","","Siegel, S.","The structures of Cs2 Th Cl6 and Cs2 U Cl6","Acta Crystallographica (1,1948-23,1967)","1956","9","","827","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310669","7.492","","7.492","","6.038","","90","","90","","120","","293.508","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 U Cl6","","- Cl6 Cs2 U -","- Cl6 Cs2 U -","- Cl6 Cs2 U -","1","0.0833333","","Siegel, S.","The structures of Cs2 Th Cl6 and Cs2 U Cl6","Acta Crystallographica (1,1948-23,1967)","1956","9","","827","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310680","5.31","","5.31","","14.04","","90","","90","","120","","342.836","","","","","","","","","","","","","4","P 63","P 6c","173","","Mg2 (Si2 O5 (O H)4)","","- H4 Mg2 O9 Si2 -","- Mg2.0001 O9 Si2 -","- Mg4.0002 O18 Si4 -","2","0.333333","","Steinfink, H.; Brunton, G.","The crystal structure of amesite","Acta Crystallographica (1,1948-23,1967)","1956","9","","487","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","151688","2020-10-21","18:00:00",""
"2310685","8.184","","8.184","","8.184","","90","","90","","90","","548.147","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Na (Sb F6)","","- F6 Na Sb -","- F6 Na Sb -","- F24 Na4 Sb4 -","4","0.0208333","","Teufer, G.","Bie Kristallstruktur des Natriumhexafluoroantimonats(V)","Acta Crystallographica (1,1948-23,1967)","1956","9","","539","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310686","7.962","","10.594","","6.116","","90","","90","","90","","515.881","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","Na (P F6) (H2 O)","","- F6 H2 Na O P -","- F6 H2 Na O P -","- F24 H8 Na4 O4 P4 -","4","0.25","","Teufer, G.; Bode, H.","Bie Kristallstruktur des wasserhaltigen Natriumhexafluorophosphats, Na P F6 H2 O","Acta Crystallographica (1,1948-23,1967)","1956","9","","825","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310750","12.6","","4.38","","11.9","","90","","119.5","","90","","571.595","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","I Cl","","- Cl I -","- Cl I -","- Cl8 I8 -","8","2","","Boswijk, K.H.; van der Heide, J.; Vos, A.; Wiebenga, E.H.","The crystal structure of I Cl-alpha","Acta Crystallographica (1,1948-23,1967)","1956","9","","274","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310818","16.12","","16.12","","11.2","","90","","90","","90","","2910.37","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Te I4","","- I4 Te -","- I4 Te -","- I64 Te16 -","16","0.5","","Blackmore, W.R.; Abrahams, S.C.; Kalnajs, J.","A Crystallographic Study of the Tellurium-Iodine System","Acta Crystallographica (1,1948-23,1967)","1956","9","","295","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310829","9.14","","16.85","","4.58","","90","","90","","90","","705.361","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","S O2 (N H2)2","","- H4 N2 O2 S -","- H4 N2 O2 S -","- H32 N16 O16 S8 -","8","0.5","","Trueblood, K. N.; Mayer, S. W.","The crystal structure of sulfamide","Acta Crystallographica","1956","9","8","628","634","10.1107/s0365110x5600173x","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310850","9.51","","9.51","","9.11","","90","","90","","120","","713.526","","","","","","","","","","","","","4","P 6/m c c","-P 6 2c","192","","Be3 Al2 Si6 O18","","- Al2 Be3 O18 Si6 -","- Al2 Be3 O18 Si6 -","- Al4 Be6 O36 Si12 -","2","0.0833333","","Peyronel, G.","The Crystal Structure of Baveno Bazzite","Acta Crystallographica (1,1948-23,1967)","1956","9","","181","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","164307","2020-10-21","18:00:00",""
"2310853","3.896","","3.896","","3.896","","90","","90","","90","","59.137","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ta O2 F","","- F O2 Ta -","- F0.9999 O2.0001 Ta -","- F0.9999 O2.0001 Ta -","1","0.0208333","","Frevel, L.K.; Rinn, H.W.","The crystal structure of Nb O2 F and Ta O2 F","Acta Crystallographica (1,1948-23,1967)","1956","9","","626","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310903","3.95","","3.95","","3.83","","90","","90","","120","","51.752","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni2 Th -","- Ni2 Th -","- Ni2 Th -","1","0.0416667","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. II. Systems with iron. cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310956","8.57","","8.57","","8.57","","90","","90","","90","","629.423","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mg2 Th -","- Mg2 Th -","- Mg16 Th8 -","8","0.0416667","","Peterson, D.T.; Diljak, P.F.; Vold, C.L.","The structure of thorium-magnesium intermetallic compounds","Acta Crystallographica (1,1948-23,1967)","1956","9","","1036","1037","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311002","7.6","","7.6","","5.64","","90","","90","","90","","325.766","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Th2 Zn -","- Th2 Zn -","- Th8 Zn4 -","4","0.125","","Baenziger, N.C.; Snow, A.I.; Rundle, R.E.","Structures of the compounds Th2 Cu, Th Cu2, Th2 Zn and Th Hg3","Acta Crystallographica (1,1948-23,1967)","1956","9","","93","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311003","4.97","","4.97","","4.01","","90","","90","","120","","85.78","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Th -","- Ni5 Th -","- Ni5 Th -","1","0.0416667","","Florio, J.V.; Baenziger, N.C.; Rundle, R.E.","Compounds of thorium with transition metals. II. Systems with iron. cobalt and nickel","Acta Crystallographica (1,1948-23,1967)","1956","9","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"3000292","4.9326","0.0001","4.9326","0.0001","10.8508","0.0003","90","","90","","120","","228.636","0.009","300","2","300","2","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Cd0.92 Na Sn1.08 -","- Cd0.92 Na Sn1.08 -","- Cd2.76 Na3 Sn3.24 -","3","0.25","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd-Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0178","0.0178","","","0.0408","0.0408","","","","","","1.163","","","","has coordinates","262861","2021-03-08","09:40:06",""
"3000293","4.8458","0.0002","4.8458","0.0002","7.7569","0.0003","90","","90","","120","","157.743","0.011","298","2","298","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cd0.56 Na Sn1.44 -","- Cd0.56 Na Sn1.44 -","- Cd1.12 Na2 Sn2.88 -","2","0.0833333","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd-Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0164","0.0143","","","0.027","0.0276","","","","","","1.233","","","","has coordinates","262848","2021-03-08","09:19:11",""
"3000294","6.427","0.0001","6.427","0.0001","22.8086","0.0005","90","","90","","90","","942.14","0.03","299","2","299","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cd Na2 Sn5 -","- Cd Na2 Sn5 -","- Cd4 Na8 Sn20 -","4","0.25","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd?Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0228","0.0197","","","0.0325","0.0334","","","","","","1.277","","","","has coordinates","262850","2021-03-08","09:20:40",""
"4001652","3.9494","0.0006","26.391","0.008","19.93","0.004","90","","95.3","0.02","90","","2068.4","0.8","183","2","183","2","","","","","","","purchased from the Aldrich Chemical Co.","4","P 1 21/c 1","-P 2ybc","14","","1,4-di-p-toluidinoanthraquinone","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","1","","Saito, Toshiro; Liu, Chong-yang; Lynch, Vincent M.; Bard, Allen J.","Orientational Dependence of the Color and Photoconductivity of 1,4-Di-p-toluidinoanthraquinone Single Crystals","Chemistry of Materials","1997","9","6","1318","","10.1021/cm960652f","","","0.71073","MoKα","","0.2054","0.0781","","0.1883","0.1339","","","","1.028","1.255","1.255","","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4001655","17.28","0.005","17.28","0.005","23.129","0.008","90","","90","","90","","6906","4","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 In Sb11 -","- Eu14 In Sb11 -","- Eu112 In8 Sb88 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0514","0.0404","","0.0865","0.0823","","","","1.09","1.13","1.13","","","","","has coordinates","295967","2024-11-17","18:31:39",""
"4001656","17.632","0.004","17.632","0.004","23.047","0.006","90","","90","","90","","7165","3","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Bi11 Eu14 Mn -","- Bi11 Eu14 Mn -","- Bi88 Eu112 Mn8 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0803","0.0453","","0.0896","0.0782","","","","0.987","1.045","1.045","","","","","has coordinates","295967","2024-11-17","18:31:39",""
"4001750","9.563","","9.563","","7.575","","90","","90","","120","","599.931","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(Y0.5 Bi0.5) Fe3 (B O3)4","","- B4 Bi0.5 Fe3 O12 Y0.5 -","- B4 Bi0.5 Fe3 O12 Y0.5 -","- B12 Bi1.5 Fe9 O36 Y1.5 -","3","0.166667","","Cascales, C.; Monge, M.A.; Ruiz-Valero, C.; Gutierrez-Puebla, E.; Campa, J.A.; Rasines, I.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001752","9.592","","9.592","","7.597","","90","","90","","120","","605.328","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","La Fe3 (B O3)4","","- B4 Fe3 La O12 -","- B4 Fe3 La O12 -","- B12 Fe9 La3 O36 -","3","0.166667","","Campa, J.A.; Rasines, I.; Cascales, C.; Ruiz-Valero, C.; Monge, M.A.; Gutierrez-Puebla, E.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001753","9.578","","9.578","","7.605","","90","","90","","120","","604.198","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Nd Fe3 (B O3)4","","- B4 Fe3 Nd O12 -","- B4 Fe3 Nd O12 -","- B12 Fe9 Nd3 O36 -","3","0.166667","","Monge, M.A.; Rasines, I.; Gutierrez-Puebla, E.; Ruiz-Valero, C.; Cascales, C.; Campa, J.A.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029688","10.1476","0.0009","15.7426","0.0014","10.5615","0.0009","90","","115.257","0.002","90","","1525.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H27 Au Cl P -","- C38 H27 Au Cl P -","- C76 H54 Au2 Cl2 P2 -","2","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.025","0.0231","","","0.0538","0.055","","","","","","1.022","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029689","9.0411","0.0007","13.4833","0.001","21.9878","0.0016","90","","90","","90","","2680.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Au Cl O P -","- C32 H23 Au Cl O P -","- C128 H92 Au4 Cl4 O4 P4 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0468","0.0378","","","0.068","0.0707","","","","","","0.982","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029690","7.6103","0.0005","12.6408","0.0008","34.029","0.002","90","","90","","90","","3273.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 Au F6 I N2 -","- C36 H22 Au F6 I N2 -","- C144 H88 Au4 F24 I4 N8 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0604","0.0482","","","0.1072","0.1131","","","","","","1.041","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029691","9.6909","0.0005","18.5814","0.0009","36.0427","0.0018","90","","90","","90","","6490.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 Au F6 I N2 -","- C36 H22 Au F6 I N2 -","- C288 H176 Au8 F48 I8 N16 -","8","2","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0684","0.0421","","","0.0793","0.0881","","","","","","0.947","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029692","5.8492","0.0016","13.351","0.004","21.102","0.006","90","","91.971","0.005","90","","1646.9","0.8","273","2","273","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.1055","0.0678","","","0.163","0.1823","","","","","","1.054","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029693","7.626","0.004","25.042","0.012","8.473","0.004","90","","116.762","0.008","90","","1444.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan","Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.","Beilstein journal of organic chemistry","2013","9","","628","632","10.3762/bjoc.9.70","","","0.71073","MoKα","","0.0567","0.0456","","","0.0991","0.1039","","","","","","1.062","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029694","18.293","0.002","22.343","0.003","9.9739","0.0013","90","","90","","90","","4076.5","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H27 Cl N2 O2 -","- C21 H27 Cl N2 O2 -","- C168 H216 Cl8 N16 O16 -","8","1","","Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan","Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.","Beilstein journal of organic chemistry","2013","9","","628","632","10.3762/bjoc.9.70","","","0.71073","MoKα","","0.136","0.0717","","","0.1855","0.2172","","","","","","0.983","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029695","4.2681","0.0009","10.435","0.002","24.586","0.005","90","","90.2","0.03","90","","1095","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-nitro-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole","","- C10 H6 F3 N3 O3 -","- C10 H6 F3 N3 O3 -","- C40 H24 F12 N12 O12 -","4","2","","Kurpet, Marta K.; Dąbrowska, Aleksandra; Jarosz, Małgorzata M; Kajewska-Kania, Katarzyna; Kuźnik, Nikodem; Suwiński, Jerzy W","Coupling of C-nitro-NH-azoles with arylboronic acids. A route to N-aryl-C-nitroazoles.","Beilstein journal of organic chemistry","2013","9","","1517","1525","10.3762/bjoc.9.173","","","0.71073","MoKα","","0.0806","0.0455","","","0.1276","0.1494","","","","","","1.008","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029696","10.9397","0.0002","10.1557","0.0002","12.7466","0.0002","90","","109.839","0.001","90","","1332.1","0.04","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","16-(Dimethylaminomethyl)salvinorin A","(2<i>S</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-[2-(dimethylaminomethyl)-3-furyl]-6a,10b-dimethyl- 4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1<i>H</i>-benzo[<i>f</i>]isochromene- 7-carboxylate","","- C26.5 H36.5 N O8.25 -","- C26.5 H36.5 N O8.25 -","- C53 H73 N2 O16.5 -","2","1","","Munro, Thomas A.; Xu, Wei; Ho, Douglas M.; Liu-Chen, Lee-Yuan; Cohen, Bruce M.","Studies toward bivalent κ opioids derived from salvinorin A: heteromethylation of the furan ring reduces affinity.","Beilstein journal of organic chemistry","2013","9","","2916","2924","10.3762/bjoc.9.328","","","0.71073","MoKα","","0.0727","0.0584","","","0.1661","0.182","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4029697","13.426","0.002","10.1901","0.0018","16.699","0.003","90","","106.72","0.005","90","","2188","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 N6 O4 Pd -","- C46 H56 N6 O4 Pd -","- C92 H112 N12 O8 Pd2 -","2","0.5","","Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman","Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies.","Beilstein journal of organic chemistry","2013","9","","698","704","10.3762/bjoc.9.79","","","0.71073","MoKα","","0.0882","0.0417","","","0.084","0.1014","","","","","","0.999","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029698","14.7337","0.0004","14.7337","0.0004","43.098","0.003","90","","90","","90","","9355.8","0.7","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C46 H56 Cl2 N8 Pd -","- C46 H50 Cl2 N8 Pd -","- C368 H400 Cl16 N64 Pd8 -","8","0.25","","Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman","Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies.","Beilstein journal of organic chemistry","2013","9","","698","704","10.3762/bjoc.9.79","","","0.71073","MoKα","","0.0762","0.0599","","","0.1366","0.1459","","","","","","1.329","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029699","10.1246","0.0014","9.0703","0.0011","22.641","0.004","90","","92.224","0.012","90","","2077.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O S -","- C27 H22 N2 O S -","- C108 H88 N8 O4 S4 -","4","1","","Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji","Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach.","Beilstein journal of organic chemistry","2013","9","","809","817","10.3762/bjoc.9.92","","","0.71073","MoKα","","0.1373","0.0994","","","0.246","0.2727","","","","","","1.053","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029700","19.5001","0.0009","8.4923","0.0003","22.8927","0.0008","90","","92.088","0.003","90","","3788.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N2 O1.5 S1.5 -","- C21 H19 N2 O1.5 S1.5 -","- C168 H152 N16 O12 S12 -","8","2","","Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji","Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach.","Beilstein journal of organic chemistry","2013","9","","809","817","10.3762/bjoc.9.92","","","0.71073","MoKα","","0.1048","0.0797","","","0.1919","0.2065","","","","","","1.107","","","","has coordinates,has disorder","302841","2025-10-09","10:02:20",""
"4029701","11.342","0.0005","18.0868","0.0007","7.672","0.0003","90","","95.47","0.001","90","","1566.67","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Cl2 N6 O2 Pd -","- C28 H46 Cl2 N6 O2 Pd -","- C56 H92 Cl4 N12 O4 Pd2 -","2","0.5","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0271","0.0239","","","0.0627","0.0641","","","","","","1.06","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029702","11.2008","0.0003","13.5909","0.0004","11.5265","0.0004","90","","111.563","0.001","90","","1631.86","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Cl2 N6 O4 Pd -","- C28 H42 Cl2 N6 O4 Pd -","- C56 H84 Cl4 N12 O8 Pd2 -","2","0.5","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0307","0.0261","","","0.0796","0.0822","","","","","","1.081","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029703","24.09","0.0011","11.4512","0.0005","20.3122","0.0008","90","","114.671","0.001","90","","5091.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl2 F2 I2 N6 Pd -","- C26 H38 Cl2 F2 I2 N6 Pd -","- C156 H228 Cl12 F12 I12 N36 Pd6 -","6","1.5","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0675","0.0452","","","0.1072","0.116","","","","","","1.071","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029704","12.9","0.007","13.63","0.007","8.531","0.004","90","","90.176","0.016","90","","1500","1.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0805","0.0681","","","0.1352","0.187","","","","","","1.015","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029705","9.3945","0.0016","11.3837","0.0019","18.54","0.003","83.241","0.004","79.382","0.004","67.287","0.003","1795.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H46 O S3 -","- C41 H46 O S3 -","- C82 H92 O2 S6 -","2","1","","Zhong, Hao; Shi, Jianwu; Kang, Jianxun; Wang, Shaomin; Liu, Xinming; Wang, Hua","Ring-opening reaction of 2,5-dioctyldithieno[2,3-b:3',2'-d]thiophene in the presence of aryllithium reagents.","Beilstein journal of organic chemistry","2013","9","","767","774","10.3762/bjoc.9.87","","","0.71073","MoKα","","0.2076","0.0805","","","0.1802","0.2037","","","","","","1.063","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029706","25.9277","0.0015","7.9561","0.0006","13.1658","0.0007","90","","120.28","0.006","90","","2345.4","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C112 H112 N32 -","8","1","","Sell, Hanno; Näther, Christian; Herges, Rainer","Amino-substituted diazocines as pincer-type photochromic switches.","Beilstein journal of organic chemistry","2013","9","","1","7","10.3762/bjoc.9.1","","","0.71073","MoKα","","0.0603","0.041","","","0.0962","0.1039","","","","","","1.038","","","","has coordinates,has disorder","301812","2025-08-19","20:48:34",""
"4029707","5.1513","0.0007","25.835","0.003","6.7094","0.001","90","","99.501","0.017","90","","880.7","0.2","200","2","200","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H20 N4 O2 -","- C18 H22 N4 O4 -","- C36 H44 N8 O8 -","2","0.5","","Sell, Hanno; Näther, Christian; Herges, Rainer","Amino-substituted diazocines as pincer-type photochromic switches.","Beilstein journal of organic chemistry","2013","9","","1","7","10.3762/bjoc.9.1","","","0.71073","MoKα","","0.0864","0.0571","","","0.1046","0.1155","","","","","","1.024","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029708","8.604","0.002","29.351","0.008","9.698","0.003","90","","90.108","0.004","90","","2449.1","1.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Br N2 O7 -","- C25 H27 Br N2 O7 -","- C100 H108 Br4 N8 O28 -","4","2","","Peng, Jiahuan; Du, Da-Ming","Catalytic asymmetric tandem Friedel-Crafts alkylation/Michael addition reaction for the synthesis of highly functionalized chromans.","Beilstein journal of organic chemistry","2013","9","","1210","1216","10.3762/bjoc.9.137","","","0.71073","MoKα","","0.0657","0.0499","","","0.0988","0.1047","","","","","","1.004","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029709","6.471","0.005","12.191","0.008","43.2","0.03","90","","90","","90","","3408","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O4 S Si3 -","- C30 H45 N O4 S Si3 -","- C120 H180 N4 O16 S4 Si12 -","4","1","","Miyazaki, Koichiro; Yamane, Yu; Yo, Ryuichiro; Uno, Hidemitsu; Kamimura, Akio","Preparation of optically active bicyclodihydrosiloles by a radical cascade reaction.","Beilstein journal of organic chemistry","2013","9","","1326","1332","10.3762/bjoc.9.149","","","0.71075","MoKα","","0.0805","0.0678","","","0.131","0.1399","","","","","","1.087","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029710","5.958","0.0011","14.455","0.003","20.381","0.004","90","","92.069","0.002","90","","1754.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3SR,4RS)-3-(benzyloxy)-4-(pentafluorosulfanylmethyl)- -1-(4-methoxyphenyl)azetidin-2-one","","- C18 H18 F5 N O3 S -","- C18 H18 F5 N O3 S -","- C72 H72 F20 N4 O12 S4 -","4","1","","Penger, Alexander; von Hahmann, Cortney N.; Filatov, Alexander S.; Welch, John T.","Diastereoselectivity in the Staudinger reaction of pentafluorosulfanylaldimines and ketimines.","Beilstein journal of organic chemistry","2013","9","","2675","2680","10.3762/bjoc.9.303","","","0.71073","Mo-Kα","","0.0352","0.0322","","","0.0867","0.0898","","","","","","1.059","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029711","6.809","0.007","10.145","0.01","14.616","0.015","93.168","0.013","95.116","0.014","97.126","0.013","995.6","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(3SR,4RS)-3-(benzyloxy)-4-((1SR)-pentafluorosulfanyl-propyl)- -1-(4-methoxyphenyl)azetidin-2-one","","- C20 H22 F5 N O3 S -","- C20 H22 F5 N O3 S -","- C40 H44 F10 N2 O6 S2 -","2","1","","Penger, Alexander; von Hahmann, Cortney N.; Filatov, Alexander S.; Welch, John T.","Diastereoselectivity in the Staudinger reaction of pentafluorosulfanylaldimines and ketimines.","Beilstein journal of organic chemistry","2013","9","","2675","2680","10.3762/bjoc.9.303","","","0.71073","Mo-Kα","","0.2002","0.1262","","","0.2922","0.3241","","","","","","1.051","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4031670","11.154","","11.154","","11.154","","90","","90","","90","","1387.69","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn6 Ni16 Si7 -","- Mn6 Ni16 Si7 -","- Mn24 Ni64 Si28 -","4","0.0208333","","Kuz'ma, Yu.B.; Gladyshevskii, E.I.; Cherkashin, E.E.","The Mn-Ni-Si system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1964","9","","1028","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031681","7.61","","7.61","","7.61","","90","","90","","90","","440.711","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mo2 Zr -","- Mo2 Zr -","- Mo16 Zr8 -","8","0.0416667","","Savitskii, E.M.; Zakharov, A.M.","Alloys of the Mo2 Zr - W2 Zr section","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1964","9","","1223","1224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031775","7.63","","7.63","","7.63","","90","","90","","90","","444.195","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- W2 Zr -","- W2 Zr -","- W16 Zr8 -","8","0.0416667","","Savitskii, E.M.; Zakharov, A.M.","Alloys of the Mo2 Zr - W2 Zr section","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1964","9","","1223","1224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343635","7.882","","7.882","","7.882","","90","","90","","90","","489.677","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Gd S2 -","- Gd S2 -","- Gd8 S16 -","8","0.0416667","","Webb, A.W.; Hall, H.T.","High-pressure synthesis of rare earth polysulfides","Inorganic Chemistry","1970","9","","1084","1090","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343640","13.04","","13.04","","8.4","","90","","90","","120","","1236.99","","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","(N H4)3 Tc2 Cl8 (H2 O)2","","- Cl8 H16 N3 O2 Tc2 -","- Cl8 H16 N3 O2 Tc2 -","- Cl24 H48 N9 O6 Tc6 -","3","0.5","","Bratton, W. K.; Cotton, F. A.","Characterization of the trinegative octachloroditechnetate ion","Inorganic Chemistry","1970","9","","789","793","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343737","8","","8","","5.409","","90","","90","","90","","346.176","","","","","","","","","","","","","5","I -4","I -4","82","","Cu N H4 Mo S4","","- Cu H4 Mo N S4 -","- Cu Mo N S4 -","- Cu2 Mo2 N2 S8 -","2","0.25","","Binnie, W.P.; Redman, M.J.; Mallio, W.J.","On the preparation, properties, and structure of cuprous ammonium thiomolybdate","Inorganic Chemistry","1970","9","","1449","1452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343764","8.87","","8.23","","11.02","","90","","110.2","","90","","754.981","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ca (C O3) (H2 O)6","","- C H12 Ca O9 -","- C H12 Ca O9 -","- C4 H48 Ca4 O36 -","4","0.5","","Dickens, B.; Brown, W.E.","The crystal structure of calcium carbonate hexahydrate at ca.-120 degrees C","Inorganic Chemistry","1970","9","","480","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343767","3.831","","3.831","","5.963","","90","","90","","90","","87.516","","","","","","","","","","","","","2","I 4 m m","I 4 -2","107","","Sn P","","- P Sn -","- P Sn -","- P2 Sn2 -","2","0.125","","Donohue, P.C.","The synthesis, structure, and superconducting properties of new high-pressure forms of tin phosphide","Inorganic Chemistry","1970","9","","335","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343768","8.224","","11.418","","18.591","","90","","90","","90","","1745.72","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Co (Si F3) (C O)4","","- C4 Co F3 O4 Si -","- C4 Co F3 O4 Si -","- C32 Co8 F24 O32 Si8 -","8","","","Emerson, K.; Robinson, W.T.; Ireland, P.R.","The crystal and molecular structure of trifluorosilytetracarbonylcobalt","Inorganic Chemistry","1970","9","","436","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343788","21.219","","7.653","","8.106","","90","","90","","90","","1316.32","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Co (N H3)6) (Zn Cl4) Cl","","- Cl5 Co H18 N6 Zn -","- Cl5 Co H18 N6 Zn -","- Cl20 Co4 H72 N24 Zn4 -","4","0.5","","Meek, D.W.; Ibers, J.A.","The crystal structure of hexaamminecobalt (III) tetrachlorozincate(II) chloride, (Co (N H3)6) (Zn Cl4) Cl","Inorganic Chemistry","1970","9","","465","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343800","10.328","","15.103","","7.756","","90","","124.1","","90","","1001.8","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","((N H3)4 Co (N H2) (N O2) Co (N H3)4) Cl4 (H2 O)4","","- Cl4 Co2 H34 N10 O6 -","- Cl4 Co2 H34 N10 O6 -","- Cl8 Co4 H68 N20 O12 -","2","0.5","","Thewalt, U.; Marsh, R.E.","The structure of mue-amido-mue-nitro bis(tetraamminecobalt(III)) tetrachloride tetrahydrate","Inorganic Chemistry","1970","9","","1604","1610","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343803","8.922","","8.922","","8.922","","90","","90","","90","","710.21","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- La4 Rh2.91 -","- La4 Rh2.91 -","- La16 Rh11.64 -","4","0.0833333","","Virkar, A.V.; Yingh, P.P.; Raman, A.","The anti-Th3 P4 - type structure in the lanthanum - rhodium system: La4 Rhca3.0","Inorganic Chemistry","1970","9","","353","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344163","13.02","","7.63","","13.08","","90","","122.4","","90","","1097.12","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Co H (P F3)4","","- Co F12 H P4 -","- Co F12 P4 -","- Co4 F48 P16 -","4","0.5","","Frenz, B.A.; Ibers, J.A.","The Structure of Hydridotetrakis(trifluorophosphie)cobalt(I), Co H (P F3)4","Inorganic Chemistry","1970","9","","2403","2408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344179","5.1335","","5.1335","","10.588","","90","","90","","90","","279.024","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Li Yb F4","","- F4 Li Yb -","- F4 Li Yb -","- F16 Li4 Yb4 -","4","0.25","","Thoma, R.E.; Keenan, T.K.; Brunton, G.D.; Penneman, R.A.","Equilibrium Relations and Crystal Structure of Lithium Fluorolanthanate Phases","Inorganic Chemistry","1970","9","","1096","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344187","6.318","","7.108","","11.058","","90","","90","","90","","496.596","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (As O4) Cl","","- As Ca2 Cl O4 -","- As Ca2 Cl O4 -","- As4 Ca8 Cl4 O16 -","4","0.5","","Banks, E.; Greenblatt, M.; Post, B.","The crystal structures of synthetic spodiosites. Ca2 V O4 Cl and Ca2 As O4 Cl","Inorganic Chemistry","1970","9","","2259","2264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344188","6.311","","7.14","","11.052","","90","","90","","90","","498.009","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ca2 (V O4) Cl","","- Ca2 Cl O4 V -","- Ca2 Cl O4 V -","- Ca8 Cl4 O16 V4 -","4","0.5","","Banks, E.; Post, B.; Greenblatt, M.","The crystal structures of synthetic spodiosites. Ca2 V O4 Cl and Ca2 As O4 Cl","Inorganic Chemistry","1970","9","","2259","2264","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344189","7.812","","6.666","","20.577","","107.02","","90.52","","107.14","","973.762","","","","","","","","","","","","","5","P -1","-P 1","2","","((N H3)4 Co (Cl (N H2)) Co (N H3)4) Cl4 (H2 O)4","","- Cl5 Co2 H34 N9 O4 -","- Cl5 Co2 H32 N9 O4 -","- Cl10 Co4 H64 N18 O8 -","2","1","","Barro, R.; Marsh, R.E.; Schaefer, W.P.","The Crystal Structure of a dimeric Cobalt Compound Containing a Chloro Bridge","Inorganic Chemistry","1970","9","","2131","2137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344196","10.528","","13.219","","13.129","","90","","90","","90","","1827.16","","","","","","","","","","","","","5","C m c 21","C 2c -2","36","","(N H4)5 (Mo2 Cl9) H2 O","","- Cl9 H22 Mo2 N5 O -","- Cl9 H22 Mo2 N5 O -","- Cl36 H88 Mo8 N20 O4 -","4","0.5","","Brencic, J.V.; Cotton, F.A.","Stoichiometric and structural characterization of the compound (N H4)5 Mo2 Cl9 * H2 O","Inorganic Chemistry","1970","9","","346","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4344217","11.86","","11.86","","17.1","","90","","90","","90","","2405.28","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Yb11 Sb10","","- Sb10 Yb11 -","- Sb10 Yb11 -","- Sb40 Yb44 -","4","0.125","","Clark, H.L.; Simpson, H.D.; Steinfink, H.","The Crystal Structure of Yb11 Sb10","Inorganic Chemistry","1970","9","","1962","1964","","","","","","","","","","","","","","","","","","","","","","has coordinates","161038","2020-10-21","18:00:00",""
"4344220","12.625","","12.953","","10.141","","90","","90","","90","","1658.37","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs2 Re2 Br8","","- Br8 Cs2 Re2 -","- Br8 Cs2 Re2 -","- Br32 Cs8 Re8 -","4","0.5","","Cotton, F.A.; de Boer, B.G.; Jeremic, M.","Some Reactions of the Octahalodirhenate(III) Ions. VIII. Definitive Structural Characterization of the Octabromodirhenate(III) Ion","Inorganic Chemistry","1970","9","","2143","2146","","","","","","","","","","","","","","","","","","","","","","has coordinates","161056","2020-10-21","18:00:00",""
"4344271","11.79","","8.02","","10.31","","96","","99.07","","97.47","","946.697","","","","","","","","","","","","","4","P -1","-P 1","2","","N3 P3 (N C S)6","","- C6 N9 P3 S6 -","- C6 N9 P3 S6 -","- C12 N18 P6 S12 -","2","1","","Faught, J.B.; Moeller, T.; Paul, I.C.","The Crystal and Molecular Structure of Trimeric Phosphonitrilic Isothiocyanate","Inorganic Chemistry","1970","9","","1656","1660","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344293","5.849","","13.67","","16.75","","90","","100.83","","90","","1315.41","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- B16 H20 -","- B16 H20 -","- B64 H80 -","4","1","","Friedman, L.B.; Cook, R.E.; Glick, M.D.","The Crystal and Molecular Structure of Hexadecaborane(20)","Inorganic Chemistry","1970","9","","1452","1458","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344306","7.65","","7.65","","10.94","","90","","90","","90","","640.236","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Xe F2 I F5","","- F7 I Xe -","- F7 I Xe -","- F28 I4 Xe4 -","4","0.25","","Jones, G.R.; Burbank, R.D.; Bartlett, N.","The Crystal Structure of the 1:1 Molecular Addition Compound Xenon Difluoride-Iodine Pentafluoride, Xe F2 I F5","Inorganic Chemistry","1970","9","","2264","2268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344316","8.8242","","8.8242","","8.8242","","90","","90","","90","","687.11","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Np2.667 Se4 -","- Np2.667 Se4 -","- Np10.668 Se16 -","4","0.0833333","","Damien, D.; Damien, N.; Jove, J.; Charvillat, J.P.","Some neptunium selenides","Inorganic and Nuclear Chemistry Letters","1973","9","","649","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344324","8.5992","","8.5992","","8.5992","","90","","90","","90","","635.879","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Tm2.667 Se4","","- Se4 Tm2.667 -","- Se4 Tm2.667 -","- Se16 Tm10.668 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","166195","2020-10-21","18:00:00",""
"4344325","8.6626","","8.6626","","8.6626","","90","","90","","90","","650.047","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Y2.667 Se4","","- Se4 Y2.667 -","- Se4 Y2.667 -","- Se16 Y10.668 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","166198","2020-10-21","18:00:00",""
"4344326","8.615","","8.615","","8.615","","90","","90","","90","","639.39","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Yb2.667 Se4","","- Se4 Yb2.667 -","- Se4 Yb2.667 -","- Se16 Yb10.668 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","166201","2020-10-21","18:00:00",""
"4344327","8.57","","8.57","","8.57","","90","","90","","90","","629.423","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Lu2.667 Se4 -","- Lu2.667 Se4 -","- Lu10.668 Se16 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.","High-Pressure Th3P4-type polymorphs of rare earth sesquiselenides","Inorganic Chemistry","1970","9","","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344331","4.735","","9.209","","11.227","","90","","90","","90","","489.549","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K Te F5","","- F5 K Te -","- F5 K Te -","- F20 K4 Te4 -","4","0.5","","Mastin, S.H.; Ryan, R.R.; Asprey, L.B.","Crystal Structure of Potassium Pentafluorotellurate (K Te F5)","Inorganic Chemistry","1970","9","","2100","2103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344340","10.908","","10.9807","","6.4679","","107.594","","84.438","","112.465","","682.278","","","","","","","","","","","","","5","P -1","-P 1","2","","Na3 (Cr Mo6 O24 H6) (H2 O)8","","- Cr H22 Mo6 Na3 O32 -","- Cr Mo6 Na3 O32 -","- Cr Mo6 Na3 O32 -","1","0.5","","Perloff, A.","The Crystal Structure of Sodium Hexamolybdochromate(III) Octahydrate, Na3 (Cr Mo6 O24 H6) (H2 O)8","Inorganic Chemistry","1970","9","","2228","2239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344371","3.456","","3.456","","6.02","","90","","90","","120","","62.269","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li (Cr S2)","","- Cr Li S2 -","- Cr Li S2 -","- Cr Li S2 -","1","0.0833333","","White, J.G.; Pinch, H.L.","The crystal structure of lithium thiochromite, Li Cr S2","Inorganic Chemistry","1970","9","","2581","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4508917","9.621","0.002","13.908","0.003","15.337","0.004","90","","93.425","0.006","90","","2048.6","0.8","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 N2 O10 Tb -","- C15 H23 N2 O10 Tb -","- C60 H92 N8 O40 Tb4 -","4","1","","Zhao, Xiaojun; Zhu, Guangshan; Fang, Qianrong; Wang, Ying; Sun, Fuxing; Qiu, Shilun","A Series of Three-Dimensional Lanthanide Coordination Compounds with the Rutile Topology","Crystal Growth & Design","2009","9","2","737","","10.1021/cg800204q","","","0.71073","MoKα","","0.1251","0.0562","","","0.1023","0.1605","","","","","","0.999","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508918","7.172","0.002","10.441","0.003","30.461","0.009","90","","103.423","0.008","90","","2218.7","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-triamino-2,4,6-triazine 3,5-dinitrobenzoic acid","","- C68 H56 N40 O48 -","- C68 H56 N39.88 O48 -","- C68 H56 N39.88 O48 -","1","0.25","","Eppel, Sagi; Bernstein, Joel","Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond","Crystal Growth & Design","2009","9","4","1683","","10.1021/cg8002788","","x-ray","0.71073","MoKα","","0.295","0.0712","","","0.1545","0.2589","","","","","","0.836","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508919","5.92","0.002","18.024","0.007","15.512","0.006","90","","91.853","0.008","90","","1654.3","1.1","298","2","298","2","","","","","","","3,5 dinitrobenzoic 33%amouniom hydroxide actone","4","P 1 21/c 1","-P 2ybc","14","","3,5 dinitrobenzoic , 2 Keto 4 amonioum Pentane","","- C13 H17 N3 O7 -","- C13 H17 N3 O7 -","- C52 H68 N12 O28 -","4","1","","Eppel, Sagi; Bernstein, Joel","Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond","Crystal Growth & Design","2009","9","4","1683","","10.1021/cg8002788","","x-ray","0.71073","MoKα","","0.1819","0.0496","","","0.1129","0.1554","","","","","","0.847","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508920","7.038","0.002","7.596","0.002","15.973","0.005","85.866","0.006","82.325","0.007","81.876","0.007","836.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3 NITROBENZOIC ACID , AMOUNIOM","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","2","","Eppel, Sagi; Bernstein, Joel","Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond","Crystal Growth & Design","2009","9","4","1683","","10.1021/cg8002788","","x-ray","0.71073","MoKα","","0.1317","0.0492","","","0.1032","0.1273","","","","","","0.827","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508921","5.2073","0.0016","7.511","0.002","13.112","0.004","100.32","0.006","98.075","0.006","106.344","0.006","474.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Malonic Acid , 1,3,5 Triamino 2,4,6 Triazine","Malonic Acid , 1,3,5 Triamino 2,4,6 Triazine","","- C6 H10 N6 O4 -","- C6 H10 N6 O4 -","- C12 H20 N12 O8 -","2","1","","Eppel, Sagi; Bernstein, Joel","Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond","Crystal Growth & Design","2009","9","4","1683","","10.1021/cg8002788","","x-ray","0.71073","MoKα","","0.0629","0.0456","","","0.1304","0.1394","","","","","","1.089","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508922","3.8623","0.0016","9.206","0.004","30.164","0.012","90","","92.688","0.007","90","","1071.3","0.8","298","2","298","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","1,2,4,5 benzoictetracarboxlic acid , 4 bromoaniline","","- C22 H18 Br2 N2 O8 -","- C22 H18 Br2 N2 O8 -","- C44 H36 Br4 N4 O16 -","2","0.25","","Eppel, Sagi; Bernstein, Joel","Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond","Crystal Growth & Design","2009","9","4","1683","","10.1021/cg8002788","","x-ray","0.71073","MoKα","","0.0864","0.0788","","","0.2182","0.2251","","","","","","1.071","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4508923","3.9071","0.001","32.109","0.008","12.733","0.003","90","","96.277","0.005","90","","1587.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1, 3, 5 benzenetricarboxlic acid 4 bromoaniline water","1, 3, 5 benzenetricarboxlic acid 4 bromoaniline water","","- C15 H14 Br N O7 -","- C15 H14 Br N O7 -","- C60 H56 Br4 N4 O28 -","4","1","","Eppel, Sagi; Bernstein, Joel","Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond","Crystal Growth & Design","2009","9","4","1683","","10.1021/cg8002788","","x-ray","0.71073","MoKα","","0.0744","0.0416","","","0.1085","0.1221","","","","","","0.971","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508924","12.656","0.002","13.494","0.003","14.753","0.003","70.937","0.009","70.642","0.009","82.643","0.012","2246.2","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H44 N4 O8 -","- C56 H44 N4 O8 -","- C112 H88 N8 O16 -","2","1","","Li, Hexian; Yang, Hailong; Wang, Ying; Yuan, Wei; Wang, Lin; Wang, Guochang","Searching for Unknown Polymorphs by “Quenched Nucleation”: Studies on the Polymorphism ofN-(1-Naphthyl) Succinimide","Crystal Growth & Design","2009","9","9","3817","","10.1021/cg800305j","","","0.7107","MoKα","","0.1206","0.0732","","","0.1663","0.1974","","","","","","1.076","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4508925","8.735","0.004","9.807","0.004","13.729","0.005","90","","90","","90","","1176.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Li, Hexian; Yang, Hailong; Wang, Ying; Yuan, Wei; Wang, Lin; Wang, Guochang","Searching for Unknown Polymorphs by “Quenched Nucleation”: Studies on the Polymorphism ofN-(1-Naphthyl) Succinimide","Crystal Growth & Design","2009","9","9","3817","","10.1021/cg800305j","","","0.71073","MoKα","","0.0673","0.039","","","0.0851","0.0957","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508926","19.914","0.004","11.607","0.002","15.188","0.003","90","","100.896","0.004","90","","3447.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Mn N3 O7 -","- C17 H15 Mn N3 O7 -","- C136 H120 Mn8 N24 O56 -","8","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0619","0.0458","","","0.0962","0.1","","","","","","1.067","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508927","10.536","0.003","11.077","0.003","14.174","0.004","90","","105.124","0.006","90","","1596.9","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H13 Cu N3 O6 -","- C17 H13 Cu N3 O6 -","- C68 H52 Cu4 N12 O24 -","4","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0709","0.0599","","","0.1277","0.1304","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508928","11.14","0.002","11.249","0.002","16.815","0.003","98.141","0.004","108.842","0.004","91.333","0.004","1968.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Mn5 N4 O29 -","- C28 H28 Mn5 N4 O29 -","- C56 H56 Mn10 N8 O58 -","2","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0674","0.0517","","","0.1082","0.1126","","","","","","1.039","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508929","8.4003","0.0011","10.9826","0.0011","11.3651","0.0013","90","","104.022","0.002","90","","1017.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N5 O6 Zn -","- C21 H19 N5 O6 Zn -","- C42 H38 N10 O12 Zn2 -","2","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0607","0.0461","","","0.1166","0.161","","","","","","1.064","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508930","10.3937","0.0019","11.728","0.002","12.594","0.002","102.077","0.004","99.661","0.004","115.816","0.003","1291.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Co N5 O6 -","- C29 H23 Co N5 O6 -","- C58 H46 Co2 N10 O12 -","2","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0751","0.0624","","","0.1462","0.1516","","","","","","1.082","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508931","11.232","0.004","11.361","0.004","17.072","0.006","97.95","0.006","108.889","0.005","91.409","0.006","2035.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H50 Cd10 N8 O55 -","- C56 H50 Cd10 N8 O55 -","- C56 H50 Cd10 N8 O55 -","1","0.5","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0738","0.0502","","","0.1075","0.1119","","","","","","1.132","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508932","12.455","0.003","7.0946","0.0017","14.054","0.003","90","","100.897","0.004","90","","1219.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N2 O6 Zn -","- C12 H9 N2 O6 Zn -","- C48 H36 N8 O24 Zn4 -","4","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0492","0.04","","","0.0983","0.103","","","","","","1.012","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508933","7.845","0.003","17.717","0.007","11.52","0.003","90","","128.401","0.017","90","","1254.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N3 O5 Zn -","- C12 H10 N3 O5 Zn -","- C48 H40 N12 O20 Zn4 -","4","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.0786","0.0553","","","0.1113","0.1174","","","","","","1.062","","","","has coordinates,has disorder","179625","2020-10-21","18:00:00",""
"4508934","11.098","0.004","11.194","0.004","16.587","0.006","99.085","0.005","109.296","0.005","91.098","0.005","1914.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co5 N4 O29 -","- C28 H28 Co5 N4 O29 -","- C56 H56 Co10 N8 O58 -","2","1","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.083","0.0624","","","0.1456","0.151","","","","","","1.103","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508935","26.67","0.007","11.677","0.003","8.191","0.002","90","","107.886","0.006","90","","2427.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co2 N4 O13 -","- C24 H20 Co2 N4 O13 -","- C96 H80 Co8 N16 O52 -","4","0.5","","Wen, Li-Li; Lu, Zhen-Da; Ren, Xiao-Ming; Duan, Chun-Ying; Meng, Qing-Jin; Gao, Song","Metal-Organic Coordination Polymers Containing Pyridine-2,3-dicarboxylic AcidN-Oxide (2,3-PDCO)","Crystal Growth & Design","2009","9","1","227","","10.1021/cg800329k","","","0.71073","MoKα","","0.073","0.0494","","","0.0947","0.1008","","","","","","1.042","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508936","3.7705","0.0001","10.4396","0.0003","12.9752","0.0004","90.8017","0.0009","91.5785","0.0009","93.7126","0.001","509.41","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Cl2 Hg N4 -","- C8 H6 Cl2 Hg N4 -","- C16 H12 Cl4 Hg2 N8 -","2","1","","Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh","Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions","Crystal Growth & Design","2009","9","1","258","","10.1021/cg8004163","","","0.71073","MoKα","","0.0402","0.0318","","","0.0709","0.093","","","","","","1.181","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508937","14.2449","0.0013","16.6049","0.0015","6.3738","0.0006","90","","90","","90","","1507.6","0.2","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6 Br4 Hg2 N4 -","- C8 H6 Br4 Hg2 N4 -","- C32 H24 Br16 Hg8 N16 -","4","0.25","","Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh","Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions","Crystal Growth & Design","2009","9","1","258","","10.1021/cg8004163","","","0.71073","MoKα","","0.0252","0.0208","","","0.0497","0.0507","","","","","","1.154","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508938","10.8936","0.0008","4.0146","0.0003","13.0313","0.001","90","","94.357","0.002","90","","568.26","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 Hg N4 -","- C8 H6 Br2 Hg N4 -","- C16 H12 Br4 Hg2 N8 -","2","0.5","","Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh","Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions","Crystal Growth & Design","2009","9","1","258","","10.1021/cg8004163","","","0.71073","MoKα","","0.0333","0.0283","","","0.0672","0.0693","","","","","","1.114","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508939","14.502","0.0009","17.0743","0.0009","6.7451","0.0004","90","","90","","90","","1670.16","0.17","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6 Hg2 I4 N4 -","- C8 H6 Hg2 I4 N4 -","- C32 H24 Hg8 I16 N16 -","4","0.25","","Wu, Jing-Yun; Hsu, Hung-Yu; Chan, Chun-Chieh; Wen, Yuh-Sheng; Tsai, Chiitang; Lu, Kuang-Lieh","Formation of Infinite Linear Mercury Metal Chains Assisted by Face-to-Face π−π (Aryl−Aryl) Stacking Interactions","Crystal Growth & Design","2009","9","1","258","","10.1021/cg8004163","","","0.71073","MoKα","","0.0233","0.0223","","","0.0588","0.0592","","","","","","1.195","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508940","7.5086","0.0001","11.3384","0.0003","16.1484","0.0006","90","","90","","90","","1374.8","0.07","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetramethylpropyldiammonium Dithiocyanate","","","- C9 H20 N4 S2 -","- C9 H20 N4 S2 -","- C36 H80 N16 S8 -","4","1","","Wolstenholme, David J.; Weigand, Jan J.; Cameron, Elinor M.; Cameron, T. Stanley","Understanding the Role Structural Changes Play in the Formation of Strong and Weak Hydrogen Bonds in Tetramethylalkyldiammonium Dithiocyanate Salts","Crystal Growth & Design","2009","9","1","282","","10.1021/cg800452w","","","0.7107","MoKα","","0.032","0.02","","","","0.024","","","","","","1.199","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508941","8.7211","0.0008","7.2486","0.0008","12.1118","0.0017","90","","105.612","0.005","90","","737.41","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetramethylbutylenediammonium Dithiocyanate","","","- C10 H22 N4 S2 -","- C10 H22 N4 S2 -","- C20 H44 N8 S4 -","2","0.5","","Wolstenholme, David J.; Weigand, Jan J.; Cameron, Elinor M.; Cameron, T. Stanley","Understanding the Role Structural Changes Play in the Formation of Strong and Weak Hydrogen Bonds in Tetramethylalkyldiammonium Dithiocyanate Salts","Crystal Growth & Design","2009","9","1","282","","10.1021/cg800452w","","","0.7107","MoKα","","0.116","0.026","","","","0.021","","","","","","1.097","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508945","6.6677","0.0015","14.668","0.003","15.516","0.003","90","","90","","90","","1517.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Br4 Cd N2 -","- C8 H14 Br4 Cd N2 -","- C32 H56 Br16 Cd4 N8 -","4","1","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.053","0.0381","","","0.0818","0.0881","","","","","","1.023","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508946","6.3661","0.0009","14.371","0.002","15.157","0.002","90","","90","","90","","1386.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Cd Cl4 N2 -","- C8 H14 Cd Cl4 N2 -","- C32 H56 Cd4 Cl16 N8 -","4","1","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0287","0.0262","","","0.0621","0.0642","","","","","","1.079","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508947","6.68","0.005","10.633","0.009","9.205","0.007","90","","105.819","0.018","90","","629.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O2 -","- C8 H18 Cl2 N2 O2 -","- C16 H36 Cl4 N4 O4 -","2","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0567","0.0449","","","0.1157","0.1241","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508948","7.647","0.004","12.41","0.006","7.692","0.004","90","","107.294","0.008","90","","697","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 N2 O8 S2 -","- C8 H16 N2 O8 S2 -","- C16 H32 N4 O16 S4 -","2","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0665","0.0522","","","0.13","0.1395","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508949","9.24","0.02","11.56","0.03","14.01","0.03","90","","99.7","0.1","90","","1475","6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 I3 N2 -","- C9 H15 I3 N2 -","- C36 H60 I12 N8 -","4","1","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.1578","0.0557","","","0.0947","0.1239","","","","","","0.929","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508950","22.291","0.009","29.58","0.012","8.607","0.003","90","","90","","90","","5675","4","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H30 Cd I4 N4 -","- C18 H30 Cd I4 N4 -","- C144 H240 Cd8 I32 N32 -","8","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0633","0.0414","","","0.0799","0.0882","","","","","","0.993","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508951","7.9","0.002","11.888","0.003","23.593","0.006","90","","90","","90","","2215.7","1","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H15 I N2 -","- C9 H15 I N2 -","- C72 H120 I8 N16 -","8","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0294","0.0259","","","0.0537","0.0554","","","","","","1.032","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508952","8.9195","0.0018","11.019","0.002","10.642","0.002","90","","90","","90","","1045.9","0.3","173","2","173","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H14 Br2 N2 -","- C8 H14 Br2 N2 -","- C32 H56 Br8 N8 -","4","0.25","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0252","0.0222","","","0.0589","0.0612","","","","","","0.884","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508953","10.962","0.012","9.79","0.012","12.7","0.012","90","","90","","90","","1363","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl2 N2 O8 -","- C8 H14 Cl2 N2 O8 -","- C32 H56 Cl8 N8 O32 -","4","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0513","0.0413","","","0.1096","0.1184","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508954","9.274","0.01","11.635","0.015","11.047","0.009","90","","90","","90","","1192","2","173","2","173","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H14 I2 N2 -","- C8 H14 I2 N2 -","- C32 H56 I8 N8 -","4","0.25","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0438","0.0324","","","0.0694","0.0762","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508955","22.6389","0.0006","22.6389","0.0006","9.3466","0.0005","90","","90","","120","","4148.5","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H12 N3 O16 Pr3.25 -","- C21 H12 N3 O16 Pr3.25 -","- C126 H72 N18 O96 Pr19.5 -","6","0.333333","","Shi, Fa-Nian; Cunha-Silva, Luís; Trindade, Tito; Paz, Filipe A. Almeida; Rocha, João","Three-Dimensional Lanthanide−Organic Frameworks Based on Di-, Tetra-, and Hexameric Clusters","Crystal Growth & Design","2009","9","5","2098","","10.1021/cg8004932","","","0.71073","MoKα","","0.0225","0.0203","","","0.05","0.0508","","","","","","1.187","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508956","8.7088","0.0004","14.917","0.0008","15.9485","0.0007","86.067","0.002","79.917","0.002","81.642","0.003","2016.21","0.17","157","2","157","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Er4 N4 O24 -","- C28 H24 Er4 N4 O24 -","- C56 H48 Er8 N8 O48 -","2","1","","Shi, Fa-Nian; Cunha-Silva, Luís; Trindade, Tito; Paz, Filipe A. Almeida; Rocha, João","Three-Dimensional Lanthanide−Organic Frameworks Based on Di-, Tetra-, and Hexameric Clusters","Crystal Growth & Design","2009","9","5","2098","","10.1021/cg8004932","","","0.71073","MoKα","","0.0351","0.0255","","","0.0559","0.06","","","","","","1.08","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508957","26.7127","0.0008","17.9748","0.0007","17.8024","0.0007","90","","90","","90","","8547.9","0.5","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C64 H60 Eu4 N12 O34 -","- C64 H56 Eu4 N12 O34 -","- C256 H224 Eu16 N48 O136 -","4","0.125","","Shi, Fa-Nian; Cunha-Silva, Luís; Trindade, Tito; Paz, Filipe A. Almeida; Rocha, João","Three-Dimensional Lanthanide−Organic Frameworks Based on Di-, Tetra-, and Hexameric Clusters","Crystal Growth & Design","2009","9","5","2098","","10.1021/cg8004932","","","0.71073","MoKα","","0.037","0.0267","","","0.0746","0.0799","","","","","","1.111","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508958","26.4473","0.0016","17.9442","0.001","17.3804","0.0011","90","","90","","90","","8248.3","0.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C64 H60 Er4 N12 O34 -","- C64 H56 Er4 N12 O34 -","- C256 H224 Er16 N48 O136 -","4","0.125","","Shi, Fa-Nian; Cunha-Silva, Luís; Trindade, Tito; Paz, Filipe A. Almeida; Rocha, João","Three-Dimensional Lanthanide−Organic Frameworks Based on Di-, Tetra-, and Hexameric Clusters","Crystal Growth & Design","2009","9","5","2098","","10.1021/cg8004932","","","0.71073","MoKα","","0.0275","0.0235","","","0.0629","0.0648","","","","","","1.112","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508959","11.917","0.003","12.426","0.003","16.43","0.004","83.33","0.004","76.227","0.004","78.659","0.004","2310.7","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 F3 N4 O3 S -","- C24 H19 F3 N4 O3 S -","- C96 H76 F12 N16 O12 S4 -","4","2","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.0585","0.0463","","","0.1238","0.1341","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508960","11.582","0.002","12.275","0.002","16.184","0.003","97.183","0.004","108.818","0.004","98.03","0.004","2120.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H30 F6 N8 O8 S2 -","- C43 H30 F6 N8 O8 S2 -","- C86 H60 F12 N16 O16 S4 -","2","1","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.2391","0.0594","","","0.0821","0.1201","","","","","","0.559","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508961","5.1022","0.0008","10.128","0.0017","23.009","0.004","102.072","0.003","93.711","0.003","98.007","0.003","1145.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F3 N5 O3 S -","- C23 H20 F3 N5 O3 S -","- C46 H40 F6 N10 O6 S2 -","2","1","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.0727","0.0534","","","0.1331","0.1438","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508962","5.2329","0.0014","20.056","0.006","25.014","0.007","90","","93.3","0.006","90","","2620.9","1.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F3 N5 O3 S -","- C26 H26 F3 N5 O3 S -","- C104 H104 F12 N20 O12 S4 -","4","1","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.0823","0.0677","","","0.1757","0.1883","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508963","5.2056","0.0008","25.72","0.004","17.027","0.003","90","","93.981","0.003","90","","2274.2","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 F3 N4 O3 -","- C26 H21 F3 N4 O3 -","- C104 H84 F12 N16 O12 -","4","1","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.1634","0.0285","","","0.0391","0.0473","","","","","","0.34","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508964","10.559","0.002","9.528","0.002","22.396","0.005","90","","97.098","0.004","90","","2235.9","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 F3 N4 O4 S -","- C23 H18 F3 N4 O4 S -","- C92 H72 F12 N16 O16 S4 -","4","1","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.0773","0.0574","","","0.1446","0.156","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508965","9.8621","0.0015","12.9579","0.0019","13.5512","0.0019","98.915","0.003","90.638","0.003","93.451","0.003","1707.3","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 F3 N4 O S -","- C18 H11 F3 N4 O S -","- C72 H44 F12 N16 O4 S4 -","4","2","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.0996","0.0552","","","0.1401","0.1606","","","","","","0.969","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508966","44.787","0.006","4.7726","0.0006","24.11","0.003","90","","93.544","0.003","90","","5143.7","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 F3 N4 O4 S -","- C27 H23 F3 N4 O4 S -","- C216 H184 F24 N32 O32 S8 -","8","1","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.0795","0.0524","","","0.1173","0.135","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508967","10.302","0.002","12.794","0.003","17.004","0.004","104.026","0.004","99.473","0.004","91.595","0.004","2139.3","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 F6 N8 O8 S2 -","- C44 H32 F6 N8 O8 S2 -","- C88 H64 F12 N16 O16 S4 -","2","1","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.1479","0.0785","","","0.1609","0.1842","","","","","","0.953","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508968","10.269","0.002","13.135","0.003","13.325","0.003","107.245","0.003","98.368","0.004","91.498","0.004","1693.7","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F3 N4 O -","- C20 H13 F3 N4 O -","- C80 H52 F12 N16 O4 -","4","2","","Stanton, Mary K.; Tufekcic, Sunita; Morgan, Carrie; Bak, Annette","Drug Substance and Former Structure Property Relationships in 15 Diverse Pharmaceutical Co-Crystals","Crystal Growth & Design","2009","9","3","1344","","10.1021/cg8005019","","","0.71073","MoKα","","0.1242","0.0834","","","0.2544","0.2817","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508969","15.8465","0.0014","15.8465","0.0014","21.775","0.003","90","","90","","90","","5468","1","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C57 H48 N5 Ni2 O9.5 -","- C52 H42 N4 Ni2 O9 -","- C208 H168 N16 Ni8 O36 -","4","1","","Ma, Yu; Cheng, Ai-Ling; Zhang, Jian-Yong; Yue, Qi; Gao, En-Qing","One-, Two-, and Three-Dimensional Coordination Polymers of Stilbenedicarboxylate with Different Metal Ions","Crystal Growth & Design","2009","9","2","867","","10.1021/cg800506g","","","0.71073","MoKα","","0.1301","0.0811","","","0.199","0.2328","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508970","31.384","0.006","8.2869","0.0017","21.465","0.004","90","","111.61","0.03","90","","5190","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H22.5 Co N2.5 O4 -","- C28.5 H22.5 Co N2.5 O4 -","- C228 H180 Co8 N20 O32 -","8","1","","Ma, Yu; Cheng, Ai-Ling; Zhang, Jian-Yong; Yue, Qi; Gao, En-Qing","One-, Two-, and Three-Dimensional Coordination Polymers of Stilbenedicarboxylate with Different Metal Ions","Crystal Growth & Design","2009","9","2","867","","10.1021/cg800506g","","","0.71073","MoKα","","0.1174","0.0491","","","0.1108","0.1291","","","","","","0.87","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508971","31.638","0.003","8.5009","0.0008","20.568","0.002","90","","108.226","0.001","90","","5254.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H22.5 Cd N2.5 O4 -","- C28.5 H22.5 Cd N2.5 O4 -","- C228 H180 Cd8 N20 O32 -","8","1","","Ma, Yu; Cheng, Ai-Ling; Zhang, Jian-Yong; Yue, Qi; Gao, En-Qing","One-, Two-, and Three-Dimensional Coordination Polymers of Stilbenedicarboxylate with Different Metal Ions","Crystal Growth & Design","2009","9","2","867","","10.1021/cg800506g","","","0.71073","MoKα","","0.0583","0.0397","","","0.0981","0.1062","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508972","13.868","0.005","5.817","0.002","20.578","0.008","90","","91.174","0.005","90","","1659.7","1","293","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H32 Cu N4 O5 -","- C36 H32 Cu N4 O5 -","- C72 H64 Cu2 N8 O10 -","2","0.5","","Ma, Yu; Cheng, Ai-Ling; Zhang, Jian-Yong; Yue, Qi; Gao, En-Qing","One-, Two-, and Three-Dimensional Coordination Polymers of Stilbenedicarboxylate with Different Metal Ions","Crystal Growth & Design","2009","9","2","867","","10.1021/cg800506g","","","0.71073","MoKα","","0.0899","0.0579","","","0.1355","0.1567","","","","","","0.997","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508973","17.767","0.0009","10.519","0.0009","18.64","0.0016","90","","102.884","0.0013","90","","3395.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cl2 N8 O4 Zn -","- C36 H26 Cl2 N8 O4 Zn -","- C144 H104 Cl8 N32 O16 Zn4 -","4","0.5","","Lan, Ya-Qian; Li, Shun-Li; Fu, Yao-Mei; Du, Dong-Ying; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Fu, Qiang","Syntheses, Structures, and Luminescent Properties of Zinc(II) and Cadmium(II) Coordination Complexes Based on Different (Pyridyl)imidazole Derivatives and 1,4-Benzenedicarboxylate","Crystal Growth & Design","2009","9","3","1353","","10.1021/cg8005234","","","0.71069","MoKα","","0.0473","0.0355","","","0.0937","0.1006","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508974","17.98","0.0007","10.724","0.0008","18.726","0.0013","90","","104.232","0.0011","90","","3499.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cd Cl2 N8 O4 -","- C36 H26 Cd Cl2 N8 O4 -","- C144 H104 Cd4 Cl8 N32 O16 -","4","0.5","","Lan, Ya-Qian; Li, Shun-Li; Fu, Yao-Mei; Du, Dong-Ying; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Fu, Qiang","Syntheses, Structures, and Luminescent Properties of Zinc(II) and Cadmium(II) Coordination Complexes Based on Different (Pyridyl)imidazole Derivatives and 1,4-Benzenedicarboxylate","Crystal Growth & Design","2009","9","3","1353","","10.1021/cg8005234","","","0.71069","MoKα","","0.0401","0.0333","","","0.0817","0.0856","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508975","12.937","0.0008","10.837","0.0009","14.765","0.0011","90","","102.947","0.002","90","","2017.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O4 Zn -","- C22 H16 N4 O4 Zn -","- C88 H64 N16 O16 Zn4 -","4","1","","Lan, Ya-Qian; Li, Shun-Li; Fu, Yao-Mei; Du, Dong-Ying; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Fu, Qiang","Syntheses, Structures, and Luminescent Properties of Zinc(II) and Cadmium(II) Coordination Complexes Based on Different (Pyridyl)imidazole Derivatives and 1,4-Benzenedicarboxylate","Crystal Growth & Design","2009","9","3","1353","","10.1021/cg8005234","","","0.71069","MoKα","","0.0979","0.048","","","0.106","0.1246","","","","","","1.003","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508976","16.733","0.0007","10.241","0.0008","25.708","0.002","90","","108.95","0.001","90","","4166.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cd N4 O4 -","- C22 H16 Cd N4 O4 -","- C176 H128 Cd8 N32 O32 -","8","1","","Lan, Ya-Qian; Li, Shun-Li; Fu, Yao-Mei; Du, Dong-Ying; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Fu, Qiang","Syntheses, Structures, and Luminescent Properties of Zinc(II) and Cadmium(II) Coordination Complexes Based on Different (Pyridyl)imidazole Derivatives and 1,4-Benzenedicarboxylate","Crystal Growth & Design","2009","9","3","1353","","10.1021/cg8005234","","","0.71069","MoKα","","0.1016","0.0601","","","0.1369","0.1539","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508977","13.932","0.0005","18.412","0.0007","19.482","0.0007","90","","90","","90","","4997.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H21 N4 O8 Zn2 -","- C26 H21 N4 O8 Zn2 -","- C208 H168 N32 O64 Zn16 -","8","1","","Lan, Ya-Qian; Li, Shun-Li; Fu, Yao-Mei; Du, Dong-Ying; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Fu, Qiang","Syntheses, Structures, and Luminescent Properties of Zinc(II) and Cadmium(II) Coordination Complexes Based on Different (Pyridyl)imidazole Derivatives and 1,4-Benzenedicarboxylate","Crystal Growth & Design","2009","9","3","1353","","10.1021/cg8005234","","","0.71069","MoKα","","0.0509","0.0336","","","0.0797","0.0872","","","","","","1.054","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508978","17.326","0.012","11.492","0.008","17.326","0.012","90","","106.05","","90","","3315","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O15 S3 Yb2 -","- C23 H21 N O15 S3 Yb2 -","- C92 H84 N4 O60 S12 Yb8 -","4","1","","Huang, Wei; Wu, Dayu; Zhou, Peng; Yan, Wenbo; Guo, Dong; Duan, Chunying; Meng, Qingjin","Luminescent and Magnetic Properties of Lanthanide-Thiophene-2,5-dicarboxylate Hybrid Materials","Crystal Growth & Design","2009","9","3","1361","","10.1021/cg800531y","","","0.71073","MoKα","","0.094","0.0494","","","0.0797","0.0894","","","","","","1.066","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508979","17.219","0.005","10.692","0.003","17.855","0.006","90","","104.852","0.005","90","","3177.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Eu2 O16 S3 -","- C20 H6 Eu2 O15 S3 -","- C80 H24 Eu8 O60 S12 -","4","1","","Huang, Wei; Wu, Dayu; Zhou, Peng; Yan, Wenbo; Guo, Dong; Duan, Chunying; Meng, Qingjin","Luminescent and Magnetic Properties of Lanthanide-Thiophene-2,5-dicarboxylate Hybrid Materials","Crystal Growth & Design","2009","9","3","1361","","10.1021/cg800531y","","","0.71073","MoKα","","0.1386","0.0596","","","0.1017","0.1108","","","","","","1.027","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508980","25.181","0.002","5.7808","0.0005","18.8184","0.0017","90","","124.051","0.001","90","","2269.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O16 S3 Tb2 -","- C18 H14 O16 S3 Tb2 -","- C72 H56 O64 S12 Tb8 -","4","0.5","","Huang, Wei; Wu, Dayu; Zhou, Peng; Yan, Wenbo; Guo, Dong; Duan, Chunying; Meng, Qingjin","Luminescent and Magnetic Properties of Lanthanide-Thiophene-2,5-dicarboxylate Hybrid Materials","Crystal Growth & Design","2009","9","3","1361","","10.1021/cg800531y","","","0.71073","MoKα","","0.0277","0.0256","","","0.0677","0.0688","","","","","","1.04","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508981","8.6701","0.0019","15.806","0.004","14.265","0.003","90","","106.628","0.004","90","","1873.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Co N3 O5 -","- C18 H23 Co N3 O5 -","- C72 H92 Co4 N12 O20 -","4","1","","Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.","Generation of Three-Dimensional Networks through Aliphatic Chain Disorder in a Divalent Metal Dicarboxylate/Organodiimine Coordination Polymer System","Crystal Growth & Design","2009","9","1","358","","10.1021/cg800539j","","","0.71073","MoKα","","0.1676","0.088","","","0.1577","0.1846","","","","","","1.084","","","","has coordinates,has disorder","179625","2020-10-21","18:00:00",""
"4508982","5.5117","0.0004","9.3252","0.0007","11.7405","0.0009","77.762","0.001","79.421","0.001","76.283","0.001","567.23","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N4 O7 P2 -","- C4 H14 N4 O7 P2 -","- C8 H28 N8 O14 P4 -","2","1","","Chen, Shuo-ping; Yuan, Yi-xuan; Pan, Ling-ling; Xu, Shu-qin; Xia, Han; Yuan, Liang-jie","A Novel Supramolecular Plaster Based on An Organic Acid−Base Compound: Synthesis, Structure, Mechanical Properties, and Sterilizing Performance","Crystal Growth & Design","2009","9","2","874","","10.1021/cg800552s","","","0.71073","MoKα","","0.0308","0.0288","","","0.0839","0.0855","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508983","12.8276","0.0012","25.38","0.002","9.5029","0.0009","90","","90","","90","","3093.8","0.5","85","2","85","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C128 H184 N8 O40 -","8","1","","Reddy, L. Sreenivas; Bethune, Sarah J.; Kampf, Jeff W.; Rodríguez-Hornedo, Naír","Cocrystals and Salts of Gabapentin: pH Dependent Cocrystal Stability and Solubility","Crystal Growth & Design","2009","9","1","378","","10.1021/cg800587y","","","0.71073","MoKα","","0.0399","0.0371","","","0.0966","0.0994","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508984","6.0648","0.0004","11.0825","0.0008","12.5727","0.0009","66.355","0.001","83.402","0.001","85.714","0.001","768.6","0.09","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C32 H46 N2 O10 -","2","1","","Reddy, L. Sreenivas; Bethune, Sarah J.; Kampf, Jeff W.; Rodríguez-Hornedo, Naír","Cocrystals and Salts of Gabapentin: pH Dependent Cocrystal Stability and Solubility","Crystal Growth & Design","2009","9","1","378","","10.1021/cg800587y","","","0.71073","MoKα","","0.0418","0.0366","","","0.0931","0.0969","","","","","","1.035","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508985","10.5813","0.0009","10.392","0.0009","28.659","0.003","90","","96.573","0.001","90","","3130.7","0.5","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C128 H184 N8 O40 -","8","2","","Reddy, L. Sreenivas; Bethune, Sarah J.; Kampf, Jeff W.; Rodríguez-Hornedo, Naír","Cocrystals and Salts of Gabapentin: pH Dependent Cocrystal Stability and Solubility","Crystal Growth & Design","2009","9","1","378","","10.1021/cg800587y","","","0.71073","MoKα","","0.0577","0.0504","","","0.1248","0.1289","","","","","","1.126","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508986","7.3565","0.0006","18.4929","0.0015","13.7524","0.0011","90","","101.855","0.001","90","","1831","0.3","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Reddy, L. Sreenivas; Bethune, Sarah J.; Kampf, Jeff W.; Rodríguez-Hornedo, Naír","Cocrystals and Salts of Gabapentin: pH Dependent Cocrystal Stability and Solubility","Crystal Growth & Design","2009","9","1","378","","10.1021/cg800587y","","","0.71073","MoKα","","0.1141","0.0834","","","0.1959","0.2148","","","","","","1.147","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508987","6.1129","0.001","9.3483","0.0015","14.879","0.002","76.397","0.003","84.535","0.003","79.731","0.003","811.9","0.2","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C34 H50 N2 O10 -","2","1","","Reddy, L. Sreenivas; Bethune, Sarah J.; Kampf, Jeff W.; Rodríguez-Hornedo, Naír","Cocrystals and Salts of Gabapentin: pH Dependent Cocrystal Stability and Solubility","Crystal Growth & Design","2009","9","1","378","","10.1021/cg800587y","","","0.71073","MoKα","","0.0447","0.0424","","","0.1075","0.1086","","","","","","1.101","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508988","9.026","0.004","12.942","0.005","18.457","0.007","81.718","0.012","84.77","0.015","72.443","0.015","2031.6","1.4","200.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H81.88 Cu3 N30 O22.94 -","- C72 H72 Cu3 N30 O22.94 -","- C72 H72 Cu3 N30 O22.94 -","1","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property","Crystal Growth & Design","2009","9","1","395","","10.1021/cg800600g","","","0.71075","MoKα","","","0.0454","","","","0.1261","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508989","8.7","0.002","9.759","0.003","13.242","0.003","81.828","0.004","78.65","0.004","89.736","0.004","1090.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N12 O12 S2 -","- C40 H36 Cu2 N12 O12 S2 -","- C40 H36 Cu2 N12 O12 S2 -","1","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property","Crystal Growth & Design","2009","9","1","395","","10.1021/cg800600g","","","0.71073","MoKα","","0.0517","0.0472","","","0.1313","0.1345","","","","","","1.061","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508990","8.808","0.002","9.541","0.003","23.753","0.008","90","","101.34","0.013","90","","1957.2","1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[CuCl2(XG4)]","","- C18 H18 Cl2 Cu N6 -","- C18 H18 Cl2 Cu N6 -","- C72 H72 Cl8 Cu4 N24 -","4","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property","Crystal Growth & Design","2009","9","1","395","","10.1021/cg800600g","","","0.71075","MoKα","","0.0316","0.0269","","","0.0697","0.0719","","","","","","1.036","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508991","22.681","0.009","9.333","0.004","21.17","0.007","90","","111.906","0.018","90","","4158","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cd N14 O10 -","- C36 H36 Cd N14 O10 -","- C144 H144 Cd4 N56 O40 -","4","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property","Crystal Growth & Design","2009","9","1","395","","10.1021/cg800600g","","","0.71073","MoKα","","0.0635","0.055","","","0.1561","0.1625","","","","","","1.058","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508992","8.905","0.004","12.016","0.005","12.717","0.004","89.86","0.017","79.803","0.016","69.411","0.016","1251.1","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Cd(XG4)(OSO3)(H2O)2]-EtOH-H2O","","- C20 H30 Cd N6 O8 S -","- C20 H30 Cd N6 O8 S -","- C40 H60 Cd2 N12 O16 S2 -","2","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property","Crystal Growth & Design","2009","9","1","395","","10.1021/cg800600g","","","0.71075","MoKα","","0.0429","0.036","","","0.0845","0.0873","","","","","","1.052","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508993","8.714","0.004","11.956","0.005","12.667","0.005","89.173","0.019","79.119","0.017","70.462","0.015","1219.7","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Co(OH2)2(OSO3)(XG4)]-EtOH-H2O","","- C20 H30 Co N6 O8 S -","- C20 H30 Co N6 O8 S -","- C40 H60 Co2 N12 O16 S2 -","2","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property","Crystal Growth & Design","2009","9","1","395","","10.1021/cg800600g","","","0.71075","MoKα","","0.0351","0.0279","","","0.0669","0.0698","","","","","","1.049","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508994","8.691","0.0018","11.908","0.003","12.66","0.003","88.965","0.014","78.925","0.013","70.326","0.013","1209.2","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Ni(XG4)(H2O)2(OSO3)]-EtOH-H2O","","- C20 H30 N6 Ni O8 S -","- C20 H30 N6 Ni O8 S -","- C40 H60 N12 Ni2 O16 S2 -","2","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property","Crystal Growth & Design","2009","9","1","395","","10.1021/cg800600g","","","0.71075","MoKα","","0.0339","0.029","","","0.0718","0.0742","","","","","","1.047","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508995","12.766","0.001","12.766","0.001","12.766","0.001","63.097","0.001","63.097","0.001","63.097","0.001","1572.2","0.2","293","2","293","2","","","","","","","","6","R 3 :R","P 3*","146","","","","- C21 H21 Br4 N3 O6 Zn2 -","- C21 H21 Br4 N3 O6 Zn2 -","- C42 H42 Br8 N6 O12 Zn4 -","2","0.666667","","Hang, Tian; Fu, Da-Wei; Ye, Qiong; Xiong, Ren-Gen","Two Novel Noncentrosymmetric Zinc Coordination Compounds with Second Harmonic Generation Response, and Potential Piezoelectric and Ferroelectric Properties","Crystal Growth & Design","2009","9","5","2026","","10.1021/cg800618v","","","0.71073","MoKα","","0.0872","0.0652","","","0.1551","0.1607","","","","","","0.922","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508996","9.5921","0.0008","13.7579","0.0012","17.562","0.0015","90","","90","","90","","2317.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N2 O4 Zn -","- C28 H20 N2 O4 Zn -","- C112 H80 N8 O16 Zn4 -","4","1","","Hang, Tian; Fu, Da-Wei; Ye, Qiong; Xiong, Ren-Gen","Two Novel Noncentrosymmetric Zinc Coordination Compounds with Second Harmonic Generation Response, and Potential Piezoelectric and Ferroelectric Properties","Crystal Growth & Design","2009","9","5","2026","","10.1021/cg800618v","","","0.71073","MoKα","","0.0531","0.0428","","","0.1105","0.1205","","","","","","0.79","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508997","5.1909","0.0004","18.4126","0.0013","19.0481","0.0014","90","","97.774","0.001","90","","1803.8","0.2","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","","Jayasankar, Adivaraha; Reddy, L. Sreenivas; Bethune, Sarah J.; Rodríguez-Hornedo, Naír","Role of Cocrystal and Solution Chemistry on the Formation and Stability of Cocrystals with Different Stoichiometry","Crystal Growth & Design","2009","9","2","889","","10.1021/cg800632r","","","0.71073","MoKα","","0.046","0.0406","","","0.1051","0.1093","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508998","12.0874","0.0004","12.7221","0.0004","7.1581","0.0003","90","","97.64","0.002","90","","1090.98","0.07","113.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 O8 -","- C28 H16 O8 -","- C56 H32 O16 -","2","0.5","","Hisaki, Ichiro; Sakamoto, Yuu; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Conformational Polymorphism of Octadehydrodibenzo[12]annulene with Dimethyl Phthalate Moieties","Crystal Growth & Design","2009","9","1","414","","10.1021/cg800643e","","","1.54187","CuKα","","","0.0433","","","","0.1225","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508999","7.9839","0.0002","8.8536","0.0003","16.1096","0.0005","85.17","0.002","87.758","0.002","74.583","0.002","1093.69","0.06","153.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 O8 -","- C28 H16 O8 -","- C56 H32 O16 -","2","1","","Hisaki, Ichiro; Sakamoto, Yuu; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Conformational Polymorphism of Octadehydrodibenzo[12]annulene with Dimethyl Phthalate Moieties","Crystal Growth & Design","2009","9","1","414","","10.1021/cg800643e","","","1.54187","CuKα","","","0.046","","","","0.1373","","","","","","1.135","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509000","13.0212","0.0006","9.1207","0.0004","9.5017","0.0004","90","","97.46","0.003","90","","1118.89","0.09","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 O8 -","- C28 H16 O8 -","- C56 H32 O16 -","2","0.5","","Hisaki, Ichiro; Sakamoto, Yuu; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Conformational Polymorphism of Octadehydrodibenzo[12]annulene with Dimethyl Phthalate Moieties","Crystal Growth & Design","2009","9","1","414","","10.1021/cg800643e","","","1.54187","CuKα","","","0.0821","","","","0.2657","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509001","16.429","0.005","11.675","0.005","20.934","0.005","90","0.005","90","0.005","90","0.005","4015","2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C21 H20 O4 Zn -","- C21 H20 O4 Zn -","- C168 H160 O32 Zn8 -","8","1","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71069","MoKα","","0.1807","0.106","","","0.2577","0.3128","","","","","","1.024","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509002","20.5511","0.0012","21.5004","0.0013","14.0681","0.0008","90","","130.547","0.001","90","","4723.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Cd O5 -","- C23 H20 Cd O5 -","- C184 H160 Cd8 O40 -","8","1","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71073","MoKα","","0.063","0.0593","","","0.1775","0.1811","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509003","13.7354","0.0007","13.8485","0.0008","22.4233","0.0012","88.438","0.001","85.275","0.001","70.774","0.001","4013.7","0.4","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H142 N16 O19 Zn4 -","- C140 H136 N16 O19 Zn4 -","- C140 H136 N16 O19 Zn4 -","1","0.5","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71073","MoKα","","0.0945","0.0758","","","0.2153","0.2336","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509004","13.842","0.0019","13.928","0.002","22.838","0.003","87.372","0.003","87.465","0.003","72.708","0.003","4197.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H68 Cd2 N8 O8 -","- C70 H68 Cd2 N8 O8 -","- C140 H136 Cd4 N16 O16 -","2","1","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71073","MoKα","","0.2542","0.1071","","","0.2196","0.299","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509005","8.783","0.002","24.64","0.006","14.613","0.004","90","","90","","90","","3162.4","1.4","298","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H34 N4 O4 Zn -","- C31 H34 N4 O4 Zn -","- C124 H136 N16 O16 Zn4 -","4","0.5","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71073","MoKα","","0.1399","0.0877","","","0.1928","0.2179","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509006","13.1771","0.0009","11.5147","0.0008","22.2995","0.0015","90","","95.642","0.001","90","","3367.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 Cd N5 O5 -","- C34 H41 Cd N5 O5 -","- C136 H164 Cd4 N20 O20 -","4","1","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71073","MoKα","","0.0745","0.0537","","","0.1324","0.1433","","","","","","1.051","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509007","27.347","0.005","8.637","0.005","10.972","0.005","90","0.005","103.309","0.005","90","0.005","2521.9","1.9","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H28 N2 O4 Zn -","- C31 H28 N2 O4 Zn -","- C124 H112 N8 O16 Zn4 -","4","1","","Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie","Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA)","Crystal Growth & Design","2009","9","3","1394","","10.1021/cg8006469","","","0.71069","MoKα","","0.0756","0.0661","","","0.1579","0.166","","","","","","0.984","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509008","8.2193","0.0009","26.89","0.003","16.9816","0.0018","90","","95.751","0.002","90","","3734.3","0.7","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N11 Nd Ni2 O15 -","- C30 H20 N11 Nd Ni2 O15 -","- C120 H80 N44 Nd4 Ni8 O60 -","4","1","","Hu, Xin; Zeng, Yong-Fei; Chen, Zhuo; Sañudo, E. C.; Liu, Fu-Chen; Ribas, J.; Bu, Xian-He","3d−4f Coordination Polymers Containing Alternating EE/EO Azido Chain Synthesized by Synergistic Coordination of Lanthanide and Transition Metal Ions","Crystal Growth & Design","2009","9","1","421","","10.1021/cg8006475","","","0.71073","MoKα","","0.0538","0.0343","","","0.0789","0.0863","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509009","8.1978","0.0008","26.866","0.003","16.9079","0.0016","90","","95.508","0.002","90","","3706.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Eu N11 Ni2 O15 -","- C30 H20 Eu N11 Ni2 O15 -","- C120 H80 Eu4 N44 Ni8 O60 -","4","1","","Hu, Xin; Zeng, Yong-Fei; Chen, Zhuo; Sañudo, E. C.; Liu, Fu-Chen; Ribas, J.; Bu, Xian-He","3d−4f Coordination Polymers Containing Alternating EE/EO Azido Chain Synthesized by Synergistic Coordination of Lanthanide and Transition Metal Ions","Crystal Growth & Design","2009","9","1","421","","10.1021/cg8006475","","","0.71073","MoKα","","0.043","0.0296","","","0.0658","0.0701","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509010","8.2071","0.0011","26.893","0.004","16.931","0.002","90","","95.538","0.002","90","","3719.5","0.9","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 N11 Ni2 O13 Sm -","- C30 H20 N11 Ni2 O15 Sm -","- C120 H80 N44 Ni8 O60 Sm4 -","4","1","","Hu, Xin; Zeng, Yong-Fei; Chen, Zhuo; Sañudo, E. C.; Liu, Fu-Chen; Ribas, J.; Bu, Xian-He","3d−4f Coordination Polymers Containing Alternating EE/EO Azido Chain Synthesized by Synergistic Coordination of Lanthanide and Transition Metal Ions","Crystal Growth & Design","2009","9","1","421","","10.1021/cg8006475","","","0.71073","MoKα","","0.053","0.0327","","","0.0717","0.0789","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509011","8.2521","0.0009","26.966","0.003","17.0838","0.0018","90","","96.254","0.002","90","","3779","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 La N11 Ni2 O15 -","- C30 H20 La N11 Ni2 O15 -","- C120 H80 La4 N44 Ni8 O60 -","4","1","","Hu, Xin; Zeng, Yong-Fei; Chen, Zhuo; Sañudo, E. C.; Liu, Fu-Chen; Ribas, J.; Bu, Xian-He","3d−4f Coordination Polymers Containing Alternating EE/EO Azido Chain Synthesized by Synergistic Coordination of Lanthanide and Transition Metal Ions","Crystal Growth & Design","2009","9","1","421","","10.1021/cg8006475","","","0.71073","MoKα","","0.0355","0.0291","","","0.0704","0.073","","","","","","1.092","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509012","8.1982","0.0008","27.328","0.003","16.4634","0.0017","90","","93.154","0.002","90","","3682.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cu2 Gd N11 O15 -","- C30 H20 Cu2 Gd N11 O15 -","- C120 H80 Cu8 Gd4 N44 O60 -","4","1","","Hu, Xin; Zeng, Yong-Fei; Chen, Zhuo; Sañudo, E. C.; Liu, Fu-Chen; Ribas, J.; Bu, Xian-He","3d−4f Coordination Polymers Containing Alternating EE/EO Azido Chain Synthesized by Synergistic Coordination of Lanthanide and Transition Metal Ions","Crystal Growth & Design","2009","9","1","421","","10.1021/cg8006475","","","0.71073","MoKα","","0.05","0.0319","","","0.0763","0.0817","","","","","","1.05","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509013","13.6516","0.0019","6.3323","0.0009","15.573","0.002","90","","90","","90","","1346.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Yakovenko, Andrey A.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Molecular and Crystal Structure of Low Melting Nitrotoluene Isomers","Crystal Growth & Design","2009","9","1","57","","10.1021/cg800659f","","","0.71073","MoKα","","0.0584","0.0438","","","0.0936","0.101","","","","","","1.009","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509014","8.4053","0.0004","10.9028","0.0006","15.1685","0.0008","90","","105.917","0.001","90","","1336.77","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Yakovenko, Andrey A.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Molecular and Crystal Structure of Low Melting Nitrotoluene Isomers","Crystal Growth & Design","2009","9","1","57","","10.1021/cg800659f","","","0.71073","MoKα","","0.0663","0.0629","","","0.1303","0.1324","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509015","7.888","0.013","11.611","0.018","7.537","0.011","90","","90.15","0.03","90","","690.3","1.9","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Yakovenko, Andrey A.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Molecular and Crystal Structure of Low Melting Nitrotoluene Isomers","Crystal Growth & Design","2009","9","1","57","","10.1021/cg800659f","","","0.71073","MoKα","","0.0602","0.0439","","","0.0907","0.0994","","","","","","1.041","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509016","7.37","0.004","7.795","0.004","11.442","0.006","91.034","0.011","93.199","0.01","90.452","0.012","656.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","2","","Yakovenko, Andrey A.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Molecular and Crystal Structure of Low Melting Nitrotoluene Isomers","Crystal Growth & Design","2009","9","1","57","","10.1021/cg800659f","","","0.71073","MoKα","","0.0792","0.0671","","","0.1485","0.1581","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509017","7.127","0.003","7.181","0.003","15.042","0.007","90","","99.976","0.008","90","","758.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H5 Cl2 F4 Hg2 N O2 -","- C12 H5 Cl2 F4 Hg2 N O2 -","- C24 H10 Cl4 F8 Hg4 N2 O4 -","2","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes","Crystal Growth & Design","2009","9","1","66","","10.1021/cg8006603","","","0.71073","MoKα","","0.043","0.0392","","","0.0877","0.0898","","","","","","0.999","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509018","7.0963","0.0012","7.3024","0.0012","30.832","0.005","90","","93.973","0.002","90","","1593.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl2 F4 Hg2 N O2 -","- C13 H7 Cl2 F4 Hg2 N O2 -","- C52 H28 Cl8 F16 Hg8 N4 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes","Crystal Growth & Design","2009","9","1","66","","10.1021/cg8006603","","","0.71073","MoKα","","0.046","0.0408","","","0.0914","0.0939","","","","","","1","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509019","7.1522","0.0011","7.5536","0.0012","29.92","0.005","90","","92.123","0.002","90","","1615.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl2 F4 Hg2 N O2 -","- C13 H7 Cl2 F4 Hg2 N O2 -","- C52 H28 Cl8 F16 Hg8 N4 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes","Crystal Growth & Design","2009","9","1","66","","10.1021/cg8006603","","","0.71073","MoKα","","0.0484","0.0437","","","0.0945","0.0968","","","","","","1.001","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509020","7.1236","0.0016","7.3554","0.0017","15.543","0.004","90","","101.201","0.003","90","","798.9","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H7 Cl2 F4 Hg2 N O2 -","- C13 H7 Cl2 F4 Hg2 N O2 -","- C26 H14 Cl4 F8 Hg4 N2 O4 -","2","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes","Crystal Growth & Design","2009","9","1","66","","10.1021/cg8006603","","","0.71073","MoKα","","0.0291","0.0261","","","0.0539","0.0551","","","","","","1.002","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509021","7.0904","0.0013","35.056","0.007","11.14","0.002","90","","105.87","0.003","90","","2663.4","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H7 Cl4 F8 Hg4 N O2 -","- C19 H7 Cl4 F8 Hg4 N O2 -","- C76 H28 Cl16 F32 Hg16 N4 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes","Crystal Growth & Design","2009","9","1","66","","10.1021/cg8006603","","","0.71073","MoKα","","0.0651","0.0534","","","0.112","0.1169","","","","","","1.01","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509022","10.051","0.002","11.728","0.002","12.039","0.002","62.2","0.03","78.96","0.03","85.23","0.03","1232.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22.5 Fe2 N O4.5 Zn -","- C27 H22 Fe2 N O4.5 Zn -","- C54 H44 Fe4 N2 O9 Zn2 -","2","1","","Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting","Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","2","903","","10.1021/cg800661g","","","0.71073","MoKα","","0.0802","0.0556","","","0.1102","0.1217","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509023","12.159","0.003","32.718","0.007","13.924","0.003","90","","112.369","0.003","90","","5122","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 Fe4 N2 O8 Zn2 -","- C58 H52 Fe4 N2 O8 Zn2 -","- C232 H208 Fe16 N8 O32 Zn8 -","4","1","","Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting","Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","2","903","","10.1021/cg800661g","","","0.71073","MoKα","","0.1325","0.0564","","","0.1087","0.1383","","","","","","1.007","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509024","34.373","0.004","14.0358","0.0018","11.3722","0.0015","90","","90.187","0.002","90","","5486.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 Fe4 N2 O8 Zn2 -","- C62 H60 Fe4 N2 O8 Zn2 -","- C248 H240 Fe16 N8 O32 Zn8 -","4","0.5","","Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting","Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","2","903","","10.1021/cg800661g","","","0.71073","MoKα","","0.067","0.0495","","","0.128","0.1414","","","","","","1.056","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509025","8.4653","0.0011","10.4233","0.0013","17.341","0.002","95.981","0.001","99.933","0.001","95.418","0.001","1489.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 Fe2 N O4 Zn -","- C33 H34 Fe2 N O4 Zn -","- C66 H68 Fe4 N2 O8 Zn2 -","2","1","","Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting","Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","2","903","","10.1021/cg800661g","","","0.71073","MoKα","","0.0449","0.0331","","","0.0729","0.078","","","","","","1.042","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509026","28.347","0.006","11.537","0.002","10.987","0.002","90","","101.47","0.03","90","","3521.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Fe2 N2 O6 Zn -","- C40 H46 Fe2 N2 O6 Zn -","- C160 H184 Fe8 N8 O24 Zn4 -","4","0.5","","Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting","Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","2","903","","10.1021/cg800661g","","","0.71073","MoKα","","0.0346","0.0324","","","0.0848","0.0946","","","","","","1.02","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509027","10.6838","0.0003","16.8693","0.0005","18.8666","0.0006","73.368","0.003","74.888","0.003","75.342","0.003","3086.3","0.17","293","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H126 Ca Fe10 N4 O20 Zn4 -","- C140 H126 Ca Fe10 N4 O20 Zn4 -","- C140 H126 Ca Fe10 N4 O20 Zn4 -","1","0.5","","Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting","Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","2","903","","10.1021/cg800661g","","","0.71073","MoKα","","0.1113","0.0642","","","0.1546","0.175","","","","","","0.992","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509028","12.664","0.0012","12.8431","0.0013","13.3132","0.0013","90.598","0.015","100.892","0.015","105.459","0.015","2045.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H86 Ca Fe6 N2 O12 Zn2 -","- C88 H86 Ca Fe6 N2 O12 Zn2 -","- C88 H86 Ca Fe6 N2 O12 Zn2 -","1","0.5","","Zhang, Erpeng; Hou, Hongwei; Meng, Xiangru; Liu, Yaru; Liu, Yun; Fan, Yaoting","Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","2","903","","10.1021/cg800661g","","","0.71073","MoKα","","0.1238","0.0677","","","0.1088","0.1311","","","","","","0.988","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509029","13.3603","0.0015","16.3035","0.0018","16.7523","0.0019","89.896","0.002","84","0.002","88.066","0.002","3626.9","0.7","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C100 H80 Ag8 Mo22 N20 O80 P2 V2 -","- C100 H80 Ag8 Mo22.08 N20 O80 P2 V1.92 -","- C100 H80 Ag8 Mo22.08 N20 O80 P2 V1.92 -","1","0.5","","Dai, Limei; You, Wansheng; Wang, Enbo; Wu, Shuixing; Su, Zhongmin; Du, Qinghua; Zhao, Yi; Fang, Yong","Two Novel One-Dimensional α-Keggin-Based Coordination Polymers with Argentophilic {Ag3}3+/{Ag4}4+Clusters","Crystal Growth & Design","2009","9","5","2110","","10.1021/cg8006734","","","0.71073","MoKα","","0.1729","0.0738","","","0.0899","0.1088","","","","","","0.972","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509030","10.5245","0.0019","12.058","0.002","13.53","0.002","87.015","0.002","72.146","0.002","86.563","0.002","1630.4","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Ag3 Mo12 N8 O42 P -","- C40 H32 Ag3 Mo12 N8 O42 P -","- C40 H32 Ag3 Mo12 N8 O42 P -","1","0.5","","Dai, Limei; You, Wansheng; Wang, Enbo; Wu, Shuixing; Su, Zhongmin; Du, Qinghua; Zhao, Yi; Fang, Yong","Two Novel One-Dimensional α-Keggin-Based Coordination Polymers with Argentophilic {Ag3}3+/{Ag4}4+Clusters","Crystal Growth & Design","2009","9","5","2110","","10.1021/cg8006734","","","0.71073","MoKα","","0.0731","0.0572","","","0.139","0.1452","","","","","","1.1","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509031","5.0869","0.001","10.533","0.002","17.686","0.004","90","","90","","90","","947.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co0.19 Li0.93 Mo1.5 O6 Zn0.88 -","- Co0.19215 Li0.924 Mo1.5 O6 Zn0.88295 -","- Co1.5372 Li7.392 Mo12 O48 Zn7.0636 -","8","1","","Xue, Liping; Wang, Yongjing; Lv, Peiwen; Chen, Dagui; Lin, Zhang; Liang, Jingkui; Huang, Feng; Xie, Zhi","Growth, Structures, and Properties of Li2Zn2(MoO4)3and Co-doped Li2Zn2(MoO4)3","Crystal Growth & Design","2009","9","2","914","","10.1021/cg800700h","","","0.71073","MoKα","","0.0267","0.0236","","","0.0861","0.0943","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509032","5.1042","0.001","10.506","0.002","17.638","0.003","90","","90","","90","","945.8","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li7.82 Mo12 O48 Zn8.18 -","- Li7.824 Mo12 O48 Zn8.1688 -","- Li7.824 Mo12 O48 Zn8.1688 -","1","0.125","","Xue, Liping; Wang, Yongjing; Lv, Peiwen; Chen, Dagui; Lin, Zhang; Liang, Jingkui; Huang, Feng; Xie, Zhi","Growth, Structures, and Properties of Li2Zn2(MoO4)3and Co-doped Li2Zn2(MoO4)3","Crystal Growth & Design","2009","9","2","914","","10.1021/cg800700h","","","0.71073","MoKα","","0.0222","0.0198","","","0.0512","0.0525","","","","","","1.047","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509033","9.6784","0.0002","8.8112","0.0002","24.1616","0.0004","90","","93.381","0.002","90","","2056.87","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Ag2 N4 O9 -","- C42 H48 Ag2 N4 O9 -","- C84 H96 Ag4 N8 O18 -","2","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuojia; Tong, Ming-Liang","Enantiopure and Racemic Sandwich-like Networks with Dehydration, Readsorption, and Selective Guest-Exchange Phase Transformations","Crystal Growth & Design","2009","9","1","457","","10.1021/cg800710q","","","1.54178","CuKα","","0.0271","0.0242","","","0.0572","0.0577","","","","","","1.002","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509034","9.6683","0.0002","8.8016","0.0002","24.1522","0.0006","90","","93.377","0.002","90","","2051.7","0.08","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Ag2 N4 O9 -","- C42 H48 Ag2 N4 O9 -","- C84 H96 Ag4 N8 O18 -","2","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuojia; Tong, Ming-Liang","Enantiopure and Racemic Sandwich-like Networks with Dehydration, Readsorption, and Selective Guest-Exchange Phase Transformations","Crystal Growth & Design","2009","9","1","457","","10.1021/cg800710q","","","0.71073","MoKα","","0.0396","0.0267","","","0.046","0.0474","","","","","","0.895","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509035","9.865","0.002","8.8826","0.0019","25.234","0.005","90","","103.38","0.007","90","","2151.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Ag N2 O5 -","- C21 H25 Ag N2 O5 -","- C84 H100 Ag4 N8 O20 -","4","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuojia; Tong, Ming-Liang","Enantiopure and Racemic Sandwich-like Networks with Dehydration, Readsorption, and Selective Guest-Exchange Phase Transformations","Crystal Growth & Design","2009","9","1","457","","10.1021/cg800710q","","","0.71073","MoKα","","0.0577","0.0454","","","0.1094","0.1159","","","","","","1.018","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509036","8.2514","0.0003","9.6419","0.0003","11.9807","0.0005","97.106","0.003","91.692","0.003","96.596","0.003","938.67","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Ag N2 O3.5 -","- C21 H22 Ag N2 O3.5 -","- C42 H44 Ag2 N4 O7 -","2","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuojia; Tong, Ming-Liang","Enantiopure and Racemic Sandwich-like Networks with Dehydration, Readsorption, and Selective Guest-Exchange Phase Transformations","Crystal Growth & Design","2009","9","1","457","","10.1021/cg800710q","","","0.71073","MoKα","","0.0289","0.0234","","","0.056","0.0572","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509037","9.9575","0.0006","9.3038","0.0005","24.8837","0.0015","90","","112.579","0.005","90","","2128.6","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Ag N2 O4 -","- C22 H25 Ag N2 O4 -","- C88 H100 Ag4 N8 O16 -","4","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuojia; Tong, Ming-Liang","Enantiopure and Racemic Sandwich-like Networks with Dehydration, Readsorption, and Selective Guest-Exchange Phase Transformations","Crystal Growth & Design","2009","9","1","457","","10.1021/cg800710q","","","0.71073","MoKα","","0.041","0.0315","","","0.0818","0.0852","","","","","","1.044","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509038","6.592","0.002","9.43","0.003","15.185","0.005","90","","90","","90","","943.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Cl Cu N4 O -","- C7 H7 Cl Cu N4 O -","- C28 H28 Cl4 Cu4 N16 O4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0202","0.0188","","","0.049","0.0493","","","","","","1.036","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509039","6.5901","0.0009","9.8962","0.0015","15.329","0.002","90","","90","","90","","999.7","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Br Cu N4 O -","- C7 H7 Br Cu N4 O -","- C28 H28 Br4 Cu4 N16 O4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.04","0.0344","","","0.0813","0.0849","","","","","","1.034","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509040","6.7418","0.0012","12.143","0.002","13.04","0.002","90","","90","","90","","1067.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cu N5 O5 -","- C7 H9 Cu N5 O5 -","- C28 H36 Cu4 N20 O20 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0529","0.0361","","","0.0786","0.0842","","","","","","1.058","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509041","6.591","0.004","11.078","0.006","15.408","0.009","90","","90","","90","","1125","1.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 B Cu F4 N4 O -","- C7 H7 B Cu F4 N4 O -","- C28 H28 B4 Cu4 F16 N16 O4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0659","0.0574","","","0.1509","0.1575","","","","","","1.092","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509042","13.288","0.004","14.09","0.004","6.75","0.002","90","","108.594","0.004","90","","1197.8","0.6","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C8 H7 Cu F3 N4 O4 S -","- C8 H7 Cu F3 N4 O4 S -","- C32 H28 Cu4 F12 N16 O16 S4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0312","0.028","","","0.0669","0.0681","","","","","","1.051","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509043","16.9328","0.0012","16.9328","0.0012","46.598","0.008","90","","90","","120","","11571","2","294","2","294","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C14 H16 B2 Cu F8 N8 O2 -","- C14 H16 B2 Cu F8 N8 O2 -","- C252 H288 B36 Cu18 F144 N144 O36 -","18","0.5","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.1461","0.097","","","0.2553","0.3286","","","","","","1.078","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509044","6.921","0.003","10.454","0.004","18.448","0.008","90","","97.579","0.005","90","","1323.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cu3 N12 O15 -","- C14 H18 Cu3 N12 O15 -","- C28 H36 Cu6 N24 O30 -","2","0.5","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0312","0.0259","","","0.0668","0.0688","","","","","","1.024","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509045","10.928","0.002","10.0233","0.0019","14.35","0.003","90","","90.926","0.002","90","","1571.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cu3 N8 O22 S2 -","- C14 H34 Cu3 N8 O22 S2 -","- C28 H68 Cu6 N16 O44 S4 -","2","0.5","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0682","0.064","","","0.1636","0.1655","","","","","","1.205","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509046","18.924","0.002","18.028","0.002","18.484","0.002","90","","109.975","0.002","90","","5926.7","1.1","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 Cu4 F18 N16 O15.5 Si3 -","- C28 H30 Cu4 F18 N16 O15.5 Si3 -","- C112 H120 Cu16 F72 N64 O62 Si12 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.1038","0.0637","","","0.185","0.2149","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509047","22.1138","0.001","22.1138","0.001","8.0576","0.0008","90","","90","","90","","3940.3","0.5","291","2","291","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H52 Co2 O22 -","- C24 H52 Co2 O22 -","- C96 H208 Co8 O88 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart R.; Wang, Jian-Ge","Structural Variation from 1D to 3D: Effects of Temperature and pH Value on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System","Crystal Growth & Design","2009","9","4","1741","","10.1021/cg800732e","","","0.71073","MoKα","","0.0402","0.0379","","","0.1262","0.1289","","","","","","1.093","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509048","10.8783","0.0009","14.209","0.0012","17.9997","0.0015","97.044","0.001","100.515","0.001","105.132","0.001","2597.8","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H52 Co3 N2 O13 -","- C49 H52 Co3 N2 O13 -","- C98 H104 Co6 N4 O26 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart R.; Wang, Jian-Ge","Structural Variation from 1D to 3D: Effects of Temperature and pH Value on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System","Crystal Growth & Design","2009","9","4","1741","","10.1021/cg800732e","","","0.71073","MoKα","","0.0392","0.0307","","","0.0741","0.0787","","","","","","1.027","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509049","11.6919","0.0014","20.191","0.003","25.859","0.003","90","","90.733","0.002","90","","6104.1","1.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Co2 N4 O14 -","- C50 H64 Co2 N4 O14 -","- C200 H256 Co8 N16 O56 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart R.; Wang, Jian-Ge","Structural Variation from 1D to 3D: Effects of Temperature and pH Value on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System","Crystal Growth & Design","2009","9","4","1741","","10.1021/cg800732e","","","0.71073","MoKα","","0.16","0.122","","","0.293","0.32","","","","","","1.045","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509050","14.4201","0.0009","19.6832","0.0013","24.3937","0.0016","90","","95.632","0.001","90","","6890.3","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 Co2 N4 O15.5 -","- C68 H76 Co2 N4 O15.5 -","- C272 H304 Co8 N16 O62 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart R.; Wang, Jian-Ge","Structural Variation from 1D to 3D: Effects of Temperature and pH Value on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System","Crystal Growth & Design","2009","9","4","1741","","10.1021/cg800732e","","","0.71073","MoKα","","0.1143","0.0716","","","0.1916","0.2223","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509051","7.387","0.003","17.862","0.007","18.07","0.007","90","","99.063","0.005","90","","2354.5","1.6","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Co N2 O5 -","- C25 H28 Co N2 O5 -","- C100 H112 Co4 N8 O20 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart R.; Wang, Jian-Ge","Structural Variation from 1D to 3D: Effects of Temperature and pH Value on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System","Crystal Growth & Design","2009","9","4","1741","","10.1021/cg800732e","","","0.71073","MoKα","","0.0793","0.0556","","","0.1442","0.1634","","","","","","1.023","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509052","13.785","0.003","8.4298","0.0018","22.06","0.004","90","","111.25","0.011","90","","2389.2","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cd N6 O4 -","- C28 H20 Cd N6 O4 -","- C112 H80 Cd4 N24 O16 -","4","1","","Wang, Zuo-Wei; Ji, Chang-Chun; Li, Jing; Guo, Zi-Jian; Li, Yi-Zhi; Zheng, He-Gen","Synthesis, X-ray Structures, and Fluorescent Properties of Coordination Networks Constructed from 2-(2-Pyridinyl-benzimidazolyl) Acetic Anion","Crystal Growth & Design","2009","9","1","475","","10.1021/cg8007393","","","0.71073","MoKα","","0.0755","0.0482","","","0.0897","0.0938","","","","","","1.035","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509053","7.4875","0.0016","9.811","0.002","21.09","0.004","90","","110.462","0.007","90","","1451.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N12 O18 Zn4 -","- C60 H44 N12 O18 Zn4 -","- C60 H44 N12 O18 Zn4 -","1","0.25","","Wang, Zuo-Wei; Ji, Chang-Chun; Li, Jing; Guo, Zi-Jian; Li, Yi-Zhi; Zheng, He-Gen","Synthesis, X-ray Structures, and Fluorescent Properties of Coordination Networks Constructed from 2-(2-Pyridinyl-benzimidazolyl) Acetic Anion","Crystal Growth & Design","2009","9","1","475","","10.1021/cg8007393","","","0.71073","MoKα","","0.1067","0.0643","","","0.1518","0.1637","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509054","9.011","0.002","9.038","0.002","9.638","0.002","101.955","0.005","110.443","0.004","106.959","0.004","660.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Co N3 O4 -","- C15 H10 Co N3 O4 -","- C30 H20 Co2 N6 O8 -","2","1","","Wang, Zuo-Wei; Ji, Chang-Chun; Li, Jing; Guo, Zi-Jian; Li, Yi-Zhi; Zheng, He-Gen","Synthesis, X-ray Structures, and Fluorescent Properties of Coordination Networks Constructed from 2-(2-Pyridinyl-benzimidazolyl) Acetic Anion","Crystal Growth & Design","2009","9","1","475","","10.1021/cg8007393","","","0.71073","MoKα","","0.0495","0.0407","","","0.0956","0.099","","","","","","0.956","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509055","8.692","0.002","11.027","0.003","12.797","0.003","75.434","0.005","71.326","0.005","77.664","0.005","1112.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 N6 O20 Zn3 -","- C46 H36 N6 O20 Zn3 -","- C46 H36 N6 O20 Zn3 -","1","0.5","","Wang, Zuo-Wei; Ji, Chang-Chun; Li, Jing; Guo, Zi-Jian; Li, Yi-Zhi; Zheng, He-Gen","Synthesis, X-ray Structures, and Fluorescent Properties of Coordination Networks Constructed from 2-(2-Pyridinyl-benzimidazolyl) Acetic Anion","Crystal Growth & Design","2009","9","1","475","","10.1021/cg8007393","","","0.71073","MoKα","","0.0975","0.0552","","","0.0841","0.0946","","","","","","0.806","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509056","3.9182","0.0008","11.901","0.002","23.687","0.005","90","","92.089","0.004","90","","1103.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-cyanobenzylidene)-4-fluoroaniline","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0918","0.0482","","","0.1028","0.1206","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509057","7.057","0.003","3.8807","0.0015","42.011","0.015","90","","90.606","0.006","90","","1150.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-cyanobenzylidene)-4-chloroaniline","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.058","0.0409","","","0.088","0.0932","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509058","7.1031","0.0007","3.9075","0.0004","42.454","0.004","90","","90.857","0.002","90","","1178.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-cyanobenzylidene)-4-bromoaniline","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0499","0.038","","","0.0741","0.0769","","","","","","1.192","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509059","4.1333","0.0004","11.5489","0.0012","13.6092","0.0014","70.583","0.001","88.69","0.002","83.109","0.002","608.16","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N-(2-cyanobenzylidene)-4-iodoaniline","","- C14 H9 I N2 -","- C14 H9 I N2 -","- C28 H18 I2 N4 -","2","1","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71069","MoKα","","0.0199","0.0188","","","0.0486","0.0492","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509060","7.0689","0.0011","15.98","0.003","22.18","0.004","75.792","0.003","83.549","0.003","88.317","0.003","2413.5","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","N-(2-cyanobenzylidene)-4-methylaniline","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","4","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0959","0.0514","","","0.1135","0.1286","","","","","","1.026","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509061","12.7404","0.001","7.1801","0.0005","24.0894","0.0018","90","","90.724","0.001","90","","2203.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-fluorobenzylidene)-2-cyanoaniline","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C112 H72 F8 N16 -","8","2","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0467","0.0368","","","0.0948","0.0997","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509062","13.4815","0.0011","7.3059","0.0006","23.461","0.002","90","","90.224","0.001","90","","2310.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-chlorobenzylidene)-2-cyanoaniline","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C112 H72 Cl8 N16 -","8","2","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0672","0.047","","","0.0926","0.0992","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509063","13.7628","0.0013","7.4094","0.0007","23.245","0.002","90","","90.104","0.002","90","","2370.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-bromobenzylidene)-2-cyanoaniline","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C112 H72 Br8 N16 -","8","2","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0377","0.0274","","","0.0649","0.0695","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509064","9.9873","0.0007","14.268","0.001","18.0622","0.0012","90","","94.243","0.001","90","","2566.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-iodobenzylidene)-2-cyanoaniline","","- C14 H9 I N2 -","- C14 H9 I N2 -","- C112 H72 I8 N16 -","8","2","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0388","0.0252","","","0.0479","0.0511","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509065","11.5779","0.0012","7.3556","0.0007","13.7938","0.0014","90","","91.074","0.002","90","","1174.5","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N-(4-methylbenzylidene)-2-cyanoaniline","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","2","","Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.","Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines","Crystal Growth & Design","2009","9","2","964","","10.1021/cg8007443","","","0.71073","MoKα","","0.0548","0.0421","","","0.0914","0.0961","","","","","","1.045","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509066","16.0939","0.0004","16.0939","0.0004","16.0939","0.0004","90","","90","","90","","4168.54","0.18","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C42 H27 Co2 N12 O -","- C42 H27 Co2 N12 O -","- C168 H108 Co8 N48 O4 -","4","0.333333","","Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui","Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy","Crystal Growth & Design","2009","9","1","488","","10.1021/cg800747t","","","0.71073","MoKα","","0.0674","0.0617","","","0.1629","0.1677","","","","","","1.012","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509067","17.9653","0.0018","19.8784","0.0019","17.6947","0.0019","90","","90","","90","","6319.2","1.1","273","2","273","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C68 H42 Co5 N18 O5 -","- C68 H42 Co5 N18 O5 -","- C272 H168 Co20 N72 O20 -","4","","","Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui","Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy","Crystal Growth & Design","2009","9","1","488","","10.1021/cg800747t","","","0.71073","MoKα","","0.0545","0.0465","","","0.1156","0.1221","","","","","","1.011","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509068","24.6815","0.001","24.6815","0.001","24.6815","0.001","90","","90","","90","","15035.4","1.1","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C42 H33 Co N12 O3 -","- C42 H33 Co N12 O3 -","- C672 H528 Co16 N192 O48 -","16","0.333333","","Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui","Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy","Crystal Growth & Design","2009","9","1","488","","10.1021/cg800747t","","","0.71073","MoKα","","0.0601","0.0494","","","0.1034","0.1085","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509069","17.774","0.009","18.964","0.01","23.806","0.012","90","","90","","90","","8024","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H52 Co4 N24 O2 -","- C84 H52 Co4 N24 O2 -","- C336 H208 Co16 N96 O8 -","4","1","","Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui","Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy","Crystal Growth & Design","2009","9","1","488","","10.1021/cg800747t","","","0.71073","MoKα","","0.142","0.0957","","","0.1839","0.2074","","","","","","1.073","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509070","8.0117","0.0017","6.8313","0.0009","16.5259","0.0017","90","","98.758","0.011","90","","893.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H26 N4 O12 P4 -","- C6 H26 N4 O12 P4 -","- C12 H52 N8 O24 P8 -","2","0.5","","Demadis, Konstantinos D.; Barouda, Eleni; Stavgianoudaki, Nikoleta; Zhao, Hong","Inorganic−Organic Hybrid Molecular Ribbons Based on Chelating/Bridging, “Pincer” Tetraphosphonates, and Alkaline-Earth Metals","Crystal Growth & Design","2009","9","3","1250","","10.1021/cg800748f","","","0.71073","MoKα","","0.0385","0.0341","","","0.0935","0.0961","","","","","","1.146","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509071","13.206","0.003","10.368","0.002","13.763","0.003","90","","97.367","0.018","90","","1868.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Ca N2 O15 P4 -","- C6 H24 Ca N2 O15 P4 -","- C24 H96 Ca4 N8 O60 P16 -","4","0.5","","Demadis, Konstantinos D.; Barouda, Eleni; Stavgianoudaki, Nikoleta; Zhao, Hong","Inorganic−Organic Hybrid Molecular Ribbons Based on Chelating/Bridging, “Pincer” Tetraphosphonates, and Alkaline-Earth Metals","Crystal Growth & Design","2009","9","3","1250","","10.1021/cg800748f","","","0.71073","MoKα","","0.0439","0.0362","","","0.1052","0.1094","","","","","","1.077","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509072","13.449","0.004","10.3649","0.0018","13.912","0.005","90","","98.4","0.02","90","","1918.5","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H26 N2 O15 P4 Sr -","- C6 H22 N2 O15 P4 Sr -","- C24 H88 N8 O60 P16 Sr4 -","4","0.5","","Demadis, Konstantinos D.; Barouda, Eleni; Stavgianoudaki, Nikoleta; Zhao, Hong","Inorganic−Organic Hybrid Molecular Ribbons Based on Chelating/Bridging, “Pincer” Tetraphosphonates, and Alkaline-Earth Metals","Crystal Growth & Design","2009","9","3","1250","","10.1021/cg800748f","","","0.71073","MoKα","","0.0293","0.0256","","","0.0701","0.0717","","","","","","1.04","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509073","7.571","0.005","8.345","0.005","5.397","0.005","90","","108.185","0.005","90","","324","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Nickel(II) ethylenediamine oxalate","Nickel(II) ethylenediamine oxalate","","- C4 H8 N2 Ni O4 -","- C4 H8 N2 Ni O4 -","- C8 H16 N4 Ni2 O8 -","2","0.25","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Two-Dimensional Metal−Organic Frameworks: A System with Competing Chelating Ligands","Crystal Growth & Design","2009","9","6","2604","","10.1021/cg800769z","","","0.71069","MoKα","","0.0208","0.0207","","","0.0508","0.0508","","","","","","1.124","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509074","7.6483","0.0019","8.299","0.002","5.4943","0.0011","90","","108.586","0.012","90","","330.55","0.13","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Cobalt(II) ethylenediamine oxalate","Cobalt(II) ethylenediamine oxalate","","- C4 H8 Co N2 O4 -","- C4 H8 Co N2 O4 -","- C8 H16 Co2 N4 O8 -","2","0.25","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Two-Dimensional Metal−Organic Frameworks: A System with Competing Chelating Ligands","Crystal Growth & Design","2009","9","6","2604","","10.1021/cg800769z","","","0.71073","MoKα","","0.0498","0.0374","","","0.0807","0.085","","","","","","1.16","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509075","9.321","0.003","11.98","0.004","15.456","0.005","90","","91.99","0.03","90","","1724.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Cu N6 O4 -","- C13 H12 Cl2 Cu N6 O4 -","- C52 H48 Cl8 Cu4 N24 O16 -","4","1","","Drabent, Krzysztof; Ciunik, Zbigniew","Copper(I) Complexes withN4-Functionalized-1,2,4-Triazole and Bidentate Spacer Ligands: From One- to Three-Dimensional Architecture","Crystal Growth & Design","2009","9","8","3367","","10.1021/cg800774z","","","0.71073","MoKα","","0.1105","0.0479","","","0.0728","0.0841","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509076","11.229","0.002","13.05","0.003","31.854","0.006","90","","90","","90","","4667.8","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H18 Cl2 Cu N7 O4 -","- C21 H18 Cl2 Cu N7 O4 -","- C168 H144 Cl16 Cu8 N56 O32 -","8","1","","Drabent, Krzysztof; Ciunik, Zbigniew","Copper(I) Complexes withN4-Functionalized-1,2,4-Triazole and Bidentate Spacer Ligands: From One- to Three-Dimensional Architecture","Crystal Growth & Design","2009","9","8","3367","","10.1021/cg800774z","","","0.71073","MoKα","","0.1724","0.0548","","","0.057","0.0731","","","","","","0.911","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509077","14.545","0.006","28.78","0.01","8.028","0.004","90","","113.22","0.03","90","","3088","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cl3 Cu N10 O4 -","- C28 H22 Cl3 Cu N10 O4 -","- C112 H88 Cl12 Cu4 N40 O16 -","4","0.5","","Drabent, Krzysztof; Ciunik, Zbigniew","Copper(I) Complexes withN4-Functionalized-1,2,4-Triazole and Bidentate Spacer Ligands: From One- to Three-Dimensional Architecture","Crystal Growth & Design","2009","9","8","3367","","10.1021/cg800774z","","","0.71073","MoKα","","0.1881","0.0788","","","0.1964","0.2249","","","","","","1.045","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509078","8.968","0.002","15.964","0.003","19.737","0.003","77.56","0.03","85.31","0.02","81.57","0.02","2725.8","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H44 Cl3 Cu2 N18 O8 -","- C47 H44 Cl3 Cu2 N18 O8 -","- C94 H88 Cl6 Cu4 N36 O16 -","2","1","","Drabent, Krzysztof; Ciunik, Zbigniew","Copper(I) Complexes withN4-Functionalized-1,2,4-Triazole and Bidentate Spacer Ligands: From One- to Three-Dimensional Architecture","Crystal Growth & Design","2009","9","8","3367","","10.1021/cg800774z","","","0.71073","MoKα","","0.0902","0.0403","","","0.074","0.0827","","","","","","0.827","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509079","9.446","0.002","10.161","0.002","13.195","0.003","79.16","0.03","80.02","0.03","69.48","0.03","1157","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H35 Cl4 Cu2 N16 O8 -","- C40 H35 Cl4 Cu2 N16 O8 -","- C40 H35 Cl4 Cu2 N16 O8 -","1","0.5","","Drabent, Krzysztof; Ciunik, Zbigniew","Copper(I) Complexes withN4-Functionalized-1,2,4-Triazole and Bidentate Spacer Ligands: From One- to Three-Dimensional Architecture","Crystal Growth & Design","2009","9","8","3367","","10.1021/cg800774z","","","0.71073","MoKα","","0.061","0.0409","","","0.0838","0.0928","","","","","","1.062","","","","has coordinates,has disorder","179626","2020-10-21","18:00:00",""
"4509080","13.443","0.003","11.745","0.002","15.632","0.003","90","","114.52","0.03","90","","2245.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Fan, Yan; Zhao, Yunfeng; Ye, Ling; Li, Bao; Yang, Guangdi; Wang, Yue","Polymorphs and Pseudopolymorphs ofN,N-Di(n-butyl)Quinacridone: Structures and Solid-State Luminescence Properties","Crystal Growth & Design","2009","9","3","1421","","10.1021/cg800785u","","","0.71073","MoKα","","0.0995","0.0488","","","0.1189","0.1363","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509081","7.2362","0.0014","14.737","0.003","10.36","0.002","90","","106.6","0.03","90","","1058.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","","Fan, Yan; Zhao, Yunfeng; Ye, Ling; Li, Bao; Yang, Guangdi; Wang, Yue","Polymorphs and Pseudopolymorphs ofN,N-Di(n-butyl)Quinacridone: Structures and Solid-State Luminescence Properties","Crystal Growth & Design","2009","9","3","1421","","10.1021/cg800785u","","","0.71073","MoKα","","0.0582","0.0421","","","0.1145","0.1231","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509082","7.541","0.0015","14.766","0.003","20.209","0.005","90","","108.08","0.03","90","","2139.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Fan, Yan; Zhao, Yunfeng; Ye, Ling; Li, Bao; Yang, Guangdi; Wang, Yue","Polymorphs and Pseudopolymorphs ofN,N-Di(n-butyl)Quinacridone: Structures and Solid-State Luminescence Properties","Crystal Growth & Design","2009","9","3","1421","","10.1021/cg800785u","","","0.71073","MoKα","","0.0852","0.048","","","0.1249","0.1436","","","","","","0.996","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509083","7.1938","0.0014","10.337","0.002","15.022","0.003","94.67","0.03","90.58","0.03","101.87","0.03","1089.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","1","","Fan, Yan; Zhao, Yunfeng; Ye, Ling; Li, Bao; Yang, Guangdi; Wang, Yue","Polymorphs and Pseudopolymorphs ofN,N-Di(n-butyl)Quinacridone: Structures and Solid-State Luminescence Properties","Crystal Growth & Design","2009","9","3","1421","","10.1021/cg800785u","","","0.71073","MoKα","","0.1967","0.0746","","","0.1585","0.2055","","","","","","0.986","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509084","4.9927","0.001","14.153","0.003","16.101","0.003","98.85","0.03","95.32","0.03","90.86","0.03","1118.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Fan, Yan; Zhao, Yunfeng; Ye, Ling; Li, Bao; Yang, Guangdi; Wang, Yue","Polymorphs and Pseudopolymorphs ofN,N-Di(n-butyl)Quinacridone: Structures and Solid-State Luminescence Properties","Crystal Growth & Design","2009","9","3","1421","","10.1021/cg800785u","","","0.71073","MoKα","","0.1134","0.0665","","","0.1981","0.238","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509085","5.0722","0.001","15.926","0.003","17.571","0.004","109.12","0.03","94.83","0.03","90.82","0.03","1335","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 Cl3 N2 O2 -","- C29 H29 Cl3 N2 O2 -","- C58 H58 Cl6 N4 O4 -","2","1","","Fan, Yan; Zhao, Yunfeng; Ye, Ling; Li, Bao; Yang, Guangdi; Wang, Yue","Polymorphs and Pseudopolymorphs ofN,N-Di(n-butyl)Quinacridone: Structures and Solid-State Luminescence Properties","Crystal Growth & Design","2009","9","3","1421","","10.1021/cg800785u","","","0.71073","MoKα","","0.2579","0.0935","","","0.1928","0.2582","","","","","","0.973","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509086","7.2193","0.0009","8.464","0.001","9.3642","0.0011","101.239","0.002","106.892","0.002","110.011","0.002","486.1","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cu N4 O12 Zn -","- C14 H20 Cu N4 O12 Zn -","- C14 H20 Cu N4 O12 Zn -","1","0.5","","Wang, Chih-Chieh; Ke, Meu-Ju; Tsai, Cheng-Hsiao; Chen, I-Hsuan; Lin, Shin-I; Lin, Tzuen-Yeuan; Wu, Li-Mei; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","[M(C5O5)2(H2O)n]2−as a Building Block for Hetero- and Homo-bimetallic Coordination Polymers: From 1D Chains to 3D Supramolecular Architectures","Crystal Growth & Design","2009","9","2","1013","","10.1021/cg800827a","","","0.71073","MoKα","","0.0427","0.0358","","","0.0871","0.0901","","","","","","1.124","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509087","7.5537","0.0003","8.0458","0.0003","9.1444","0.0003","112.811","0.001","103.164","0.001","99.505","0.001","478.53","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cu2 N4 O12 -","- C14 H20 Cu2 N4 O12 -","- C14 H20 Cu2 N4 O12 -","1","0.5","","Wang, Chih-Chieh; Ke, Meu-Ju; Tsai, Cheng-Hsiao; Chen, I-Hsuan; Lin, Shin-I; Lin, Tzuen-Yeuan; Wu, Li-Mei; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","[M(C5O5)2(H2O)n]2−as a Building Block for Hetero- and Homo-bimetallic Coordination Polymers: From 1D Chains to 3D Supramolecular Architectures","Crystal Growth & Design","2009","9","2","1013","","10.1021/cg800827a","","","0.71073","MoKα","","0.0343","0.0258","","","0.0609","0.0622","","","","","","1.185","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509088","7.1591","0.0002","8.4702","0.0002","9.353","0.0002","101.792","0.001","106.691","0.001","109.665","0.001","482.25","0.02","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Co Cu N4 O12 -","- C14 H20 Co Cu N4 O12 -","- C14 H20 Co Cu N4 O12 -","1","0.5","","Wang, Chih-Chieh; Ke, Meu-Ju; Tsai, Cheng-Hsiao; Chen, I-Hsuan; Lin, Shin-I; Lin, Tzuen-Yeuan; Wu, Li-Mei; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","[M(C5O5)2(H2O)n]2−as a Building Block for Hetero- and Homo-bimetallic Coordination Polymers: From 1D Chains to 3D Supramolecular Architectures","Crystal Growth & Design","2009","9","2","1013","","10.1021/cg800827a","","","0.71073","MoKα","","0.0548","0.0449","","","0.1324","0.1384","","","","","","1.079","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509089","10.0074","0.0003","13.9437","0.0004","7.01","0.0002","90","","98.075","0.001","90","","968.48","0.05","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu2 N4 O12 -","- C14 H20 Cu2 N4 O12 -","- C28 H40 Cu4 N8 O24 -","2","0.5","","Wang, Chih-Chieh; Ke, Meu-Ju; Tsai, Cheng-Hsiao; Chen, I-Hsuan; Lin, Shin-I; Lin, Tzuen-Yeuan; Wu, Li-Mei; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","[M(C5O5)2(H2O)n]2−as a Building Block for Hetero- and Homo-bimetallic Coordination Polymers: From 1D Chains to 3D Supramolecular Architectures","Crystal Growth & Design","2009","9","2","1013","","10.1021/cg800827a","","","0.71073","MoKα","","0.0417","0.0258","","","0.0671","0.0714","","","","","","1.051","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509090","13.0699","0.0007","13.066","0.0007","7.0103","0.0004","90","","101.104","0.001","90","","1174.75","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Cu Mn N4 O16 -","- C14 H28 Cu Mn N4 O16 -","- C28 H56 Cu2 Mn2 N8 O32 -","2","0.5","","Wang, Chih-Chieh; Ke, Meu-Ju; Tsai, Cheng-Hsiao; Chen, I-Hsuan; Lin, Shin-I; Lin, Tzuen-Yeuan; Wu, Li-Mei; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","[M(C5O5)2(H2O)n]2−as a Building Block for Hetero- and Homo-bimetallic Coordination Polymers: From 1D Chains to 3D Supramolecular Architectures","Crystal Growth & Design","2009","9","2","1013","","10.1021/cg800827a","","","0.71073","MoKα","","0.0499","0.0399","","","0.102","0.1149","","","","","","1.095","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509091","9.8755","0.0005","13.9423","0.0009","7.0743","0.0004","90","","98.677","0.001","90","","962.89","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu N4 Ni O12 -","- C14 H20 Cu N4 Ni O12 -","- C28 H40 Cu2 N8 Ni2 O24 -","2","0.5","","Wang, Chih-Chieh; Ke, Meu-Ju; Tsai, Cheng-Hsiao; Chen, I-Hsuan; Lin, Shin-I; Lin, Tzuen-Yeuan; Wu, Li-Mei; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","[M(C5O5)2(H2O)n]2−as a Building Block for Hetero- and Homo-bimetallic Coordination Polymers: From 1D Chains to 3D Supramolecular Architectures","Crystal Growth & Design","2009","9","2","1013","","10.1021/cg800827a","","","0.71073","MoKα","","0.0567","0.0489","","","0.1045","0.1079","","","","","","1.197","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509092","7.1324","0.0013","10.2575","0.0018","15.589","0.003","80.826","0.003","79.755","0.003","76.877","0.003","1084.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 Cu N4 O19 S Tb2 -","- C10 H16 Cu N4 O19 S Tb2 -","- C20 H32 Cu2 N8 O38 S2 Tb4 -","2","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Wang, Cai-Feng; Zuo, Jing-Lin; You, Xiao-Zeng","New 3d−4f Heterometallic Coordination Polymers Based on Pyrazole-Bridged CuIILnIIIDinuclear Units and Sulfate Anions: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","2","1028","","10.1021/cg800848n","","","0.71073","MoKα","","0.0441","0.0409","","","0.1073","0.1096","","","","","","1.053","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509093","7.1295","0.0009","10.2508","0.0012","15.5835","0.0019","80.709","0.002","79.568","0.002","76.666","0.002","1081.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 Cu Dy2 N4 O19 S -","- C10 H16 Cu Dy2 N4 O19 S -","- C20 H32 Cu2 Dy4 N8 O38 S2 -","2","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Wang, Cai-Feng; Zuo, Jing-Lin; You, Xiao-Zeng","New 3d−4f Heterometallic Coordination Polymers Based on Pyrazole-Bridged CuIILnIIIDinuclear Units and Sulfate Anions: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","2","1028","","10.1021/cg800848n","","","0.71073","MoKα","","0.0375","0.0357","","","0.0988","0.1002","","","","","","1.122","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509094","12.2775","0.0018","6.8941","0.001","23.769","0.004","90","","95.294","0.003","90","","2003.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N4 O17 S Sm2 -","- C10 H12 Cu N4 O17 S Sm2 -","- C40 H48 Cu4 N16 O68 S4 Sm8 -","4","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Wang, Cai-Feng; Zuo, Jing-Lin; You, Xiao-Zeng","New 3d−4f Heterometallic Coordination Polymers Based on Pyrazole-Bridged CuIILnIIIDinuclear Units and Sulfate Anions: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","2","1028","","10.1021/cg800848n","","","0.71073","MoKα","","0.0676","0.054","","","0.098","0.1021","","","","","","1.163","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509095","12.2698","0.0012","6.8833","0.0007","23.757","0.002","90","","95.216","0.002","90","","1998.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu Eu2 N4 O17 S -","- C10 H12 Cu Eu2 N4 O17 S -","- C40 H48 Cu4 Eu8 N16 O68 S4 -","4","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Wang, Cai-Feng; Zuo, Jing-Lin; You, Xiao-Zeng","New 3d−4f Heterometallic Coordination Polymers Based on Pyrazole-Bridged CuIILnIIIDinuclear Units and Sulfate Anions: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","2","1028","","10.1021/cg800848n","","","0.71073","MoKα","","0.0408","0.037","","","0.082","0.0839","","","","","","1.132","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509096","12.2664","0.0018","6.8633","0.001","23.739","0.003","90","","95.118","0.003","90","","1990.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu Gd2 N4 O17 S -","- C10 H12 Cu Gd2 N4 O17 S -","- C40 H48 Cu4 Gd8 N16 O68 S4 -","4","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Wang, Cai-Feng; Zuo, Jing-Lin; You, Xiao-Zeng","New 3d−4f Heterometallic Coordination Polymers Based on Pyrazole-Bridged CuIILnIIIDinuclear Units and Sulfate Anions: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","2","1028","","10.1021/cg800848n","","","0.71073","MoKα","","0.0455","0.0389","","","0.0844","0.087","","","","","","1.092","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509097","12.212","0.004","6.814","0.002","23.693","0.007","90","","95.087","0.006","90","","1963.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N4 O17 S Tb2 -","- C10 H12 Cu N4 O17 S Tb2 -","- C40 H48 Cu4 N16 O68 S4 Tb8 -","4","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Wang, Cai-Feng; Zuo, Jing-Lin; You, Xiao-Zeng","New 3d−4f Heterometallic Coordination Polymers Based on Pyrazole-Bridged CuIILnIIIDinuclear Units and Sulfate Anions: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","2","1028","","10.1021/cg800848n","","","0.71073","MoKα","","0.061","0.0433","","","0.07","0.0748","","","","","","0.883","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509098","12.2024","0.0018","6.7802","0.001","23.664","0.004","90","","94.75","0.002","90","","1951.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu Dy2 N4 O17 S -","- C10 H12 Cu Dy2 N4 O17 S -","- C40 H48 Cu4 Dy8 N16 O68 S4 -","4","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Wang, Cai-Feng; Zuo, Jing-Lin; You, Xiao-Zeng","New 3d−4f Heterometallic Coordination Polymers Based on Pyrazole-Bridged CuIILnIIIDinuclear Units and Sulfate Anions: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","2","1028","","10.1021/cg800848n","","","0.71073","MoKα","","0.0521","0.0495","","","0.1295","0.1321","","","","","","1.092","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509099","32.826","0.0012","32.826","0.0012","18.669","0.0014","90","","90","","120","","17421.6","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C222 H192 Co9 N72 O51 -","- C222 H192 Co9 N72 O51 -","- C666 H576 Co27 N216 O153 -","3","0.166667","","Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Architecture of Hydrogen-Bonded Three-Dimensional NbO Net Based on Hydrogen Carbonate or Trimesic Acid Using a Hydrophobic, Predesigned, Cubic Cation [Co(H2O)6⊂Co8L12] as a Template","Crystal Growth & Design","2009","9","1","546","","10.1021/cg800852d","","","0.71073","MoKα","","0.0883","0.0634","","","0.1861","0.205","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509100","21.3548","0.0017","21.3548","0.0017","21.3548","0.0017","90","","90","","90","","9738.4","1.3","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C162 H174 Co9 N72 O48 -","- C162 H174 Co9 N72 O48 -","- C324 H348 Co18 N144 O96 -","2","0.0416667","","Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Architecture of Hydrogen-Bonded Three-Dimensional NbO Net Based on Hydrogen Carbonate or Trimesic Acid Using a Hydrophobic, Predesigned, Cubic Cation [Co(H2O)6⊂Co8L12] as a Template","Crystal Growth & Design","2009","9","1","546","","10.1021/cg800852d","","","0.71073","MoKα","","0.089","0.0658","","","0.1925","0.2115","","","","","","1.012","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509101","17.92","0.006","18.051","0.006","18.098","0.006","63.045","0.006","60.671","0.005","88.246","0.006","4409","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H144 Co9 N78 O36 -","- C156 H144 Co9 N78 O36 -","- C156 H144 Co9 N78 O36 -","1","0.5","","Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Architecture of Hydrogen-Bonded Three-Dimensional NbO Net Based on Hydrogen Carbonate or Trimesic Acid Using a Hydrophobic, Predesigned, Cubic Cation [Co(H2O)6⊂Co8L12] as a Template","Crystal Growth & Design","2009","9","1","546","","10.1021/cg800852d","","","0.71073","MoKα","","0.0922","0.0637","","","0.1823","0.2028","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509102","9.765","0.003","14.167","0.005","17.435","0.007","113.939","0.009","94.527","0.018","98.467","0.013","2154.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl4 N6 O0 Pt -","- C44 H42 Cl4 N6 Pt -","- C88 H84 Cl8 N12 Pt2 -","2","1","","Xu, Hai-Bing; Zhang, Li-Yi; Chen, Xiao-Ming; Li, Xiu-Ling; Chen, Zhong-Ning","Modulation of Pt →Ln Energy Transfer in PtLn2(Ln = Nd, Er, Yb) Complexes with 2,2′-Bipyridyl/2,2′:6′2′′-Terpyridyl Ethynyl Ligands","Crystal Growth & Design","2009","9","1","569","","10.1021/cg800866r","","","0.71073","MoKα","","0.1015","0.0953","","","0.2667","0.2694","","","","","","1.183","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509103","10.909","0.008","20.639","0.014","20.771","0.014","90.362","0.011","94.373","0.015","92.239","0.011","4659","6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H46 Cl2 F36 N6 O12 Pt Yb2 -","- C73 H46 Cl2 F36 N6 O12 Pt Yb2 -","- C146 H92 Cl4 F72 N12 O24 Pt2 Yb4 -","2","1","","Xu, Hai-Bing; Zhang, Li-Yi; Chen, Xiao-Ming; Li, Xiu-Ling; Chen, Zhong-Ning","Modulation of Pt →Ln Energy Transfer in PtLn2(Ln = Nd, Er, Yb) Complexes with 2,2′-Bipyridyl/2,2′:6′2′′-Terpyridyl Ethynyl Ligands","Crystal Growth & Design","2009","9","1","569","","10.1021/cg800866r","","","0.71073","MoKα","","0.092","0.0746","","","0.1962","0.2187","","","","","","1.067","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509104","18.49","0.006","18.689","0.006","21.547","0.009","88.563","0.017","83.632","0.014","64.641","0.013","6685","4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C95 H60 Cl2 F36 N8 O12 Pt Yb2 -","- C95 H60 Cl2 F36 N8 O12 Pt Yb2 -","- C190 H120 Cl4 F72 N16 O24 Pt2 Yb4 -","2","1","","Xu, Hai-Bing; Zhang, Li-Yi; Chen, Xiao-Ming; Li, Xiu-Ling; Chen, Zhong-Ning","Modulation of Pt →Ln Energy Transfer in PtLn2(Ln = Nd, Er, Yb) Complexes with 2,2′-Bipyridyl/2,2′:6′2′′-Terpyridyl Ethynyl Ligands","Crystal Growth & Design","2009","9","1","569","","10.1021/cg800866r","","","0.71073","MoKα","","0.1124","0.0876","","","0.2476","0.2809","","","","","","1.059","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509105","19.445","0.006","18.608","0.006","16.675","0.005","90","","104.563","0.003","90","","5840","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H52 Cl6 N6 Pt -","- C61 H50 Cl6 N6 Pt -","- C244 H200 Cl24 N24 Pt4 -","4","0.5","","Xu, Hai-Bing; Zhang, Li-Yi; Chen, Xiao-Ming; Li, Xiu-Ling; Chen, Zhong-Ning","Modulation of Pt →Ln Energy Transfer in PtLn2(Ln = Nd, Er, Yb) Complexes with 2,2′-Bipyridyl/2,2′:6′2′′-Terpyridyl Ethynyl Ligands","Crystal Growth & Design","2009","9","1","569","","10.1021/cg800866r","","","0.71073","MoKα","","0.0417","0.0372","","","0.0976","0.1019","","","","","","1.045","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509106","10.44","0.002","12.786","0.003","20.152","0.004","108.327","0.004","96.93","0.004","102.439","0.003","2441.6","0.9","273","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 N10 O10 Zn2 -","- C52 H38 N10 O10 Zn2 -","- C104 H76 N20 O20 Zn4 -","2","1","","Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures","Crystal Growth & Design","2009","9","2","1041","","10.1021/cg8008859","","","0.71073","MoKα","","0.0887","0.0604","","","0.1276","0.1341","","","","","","0.992","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509107","22.292","0.004","22.292","0.004","18.692","0.005","90","","90","","90","","9289","3","291","2","291","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C88 H72 Cd3 N20 O15 -","- C88 H72 Cd3 N20 O15 -","- C352 H288 Cd12 N80 O60 -","4","0.25","","Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures","Crystal Growth & Design","2009","9","2","1041","","10.1021/cg8008859","","","0.71073","MoKα","","0.0583","0.0461","","","0.1403","0.1468","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509108","23.375","0.005","9.8795","0.0016","21.142","0.004","90","","108.259","0.003","90","","4636.6","1.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 N5 O6 Zn -","- C27 H17 N5 O6 Zn -","- C216 H136 N40 O48 Zn8 -","8","1","","Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures","Crystal Growth & Design","2009","9","2","1041","","10.1021/cg8008859","","","0.71073","MoKα","","0.0755","0.0609","","","0.1373","0.1425","","","","","","1.054","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509109","10.706","0.002","12.227","0.003","19.154","0.004","90","","96.946","0.004","90","","2488.9","0.9","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H72 N20 O18 Zn4 -","- C104 H72 N20 O18 Zn4 -","- C104 H72 N20 O18 Zn4 -","1","0.25","","Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures","Crystal Growth & Design","2009","9","2","1041","","10.1021/cg8008859","","","0.71073","MoKα","","0.097","0.0679","","","0.1468","0.1543","","","","","","1.049","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509110","13.1142","0.0011","13.0598","0.001","15.0037","0.0012","90","","94.802","0.001","90","","2560.6","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cd N5 O4 -","- C28 H27 Cd N5 O4 -","- C112 H108 Cd4 N20 O16 -","4","1","","Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures","Crystal Growth & Design","2009","9","2","1041","","10.1021/cg8008859","","","0.71073","MoKα","","0.0579","0.046","","","0.1149","0.1191","","","","","","0.988","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509111","25.765","0.003","18.5139","0.0018","20.06","0.002","90","","97.116","0.001","90","","9495.1","1.7","293","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H90 Cd4 N10 O23 -","- C76 H90 Cd4 N10 O23 -","- C304 H360 Cd16 N40 O92 -","4","0.5","","Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures","Crystal Growth & Design","2009","9","2","1041","","10.1021/cg8008859","","","0.71073","MoKα","","0.0703","0.0494","","","0.0979","0.1028","","","","","","1.041","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509112","5.1197","0.0005","10.5328","0.001","10.8003","0.001","108.388","0.011","95.656","0.011","93.521","0.011","547.33","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12.3 Cu1.5 O8.15 P S -","- C4 H12 Cu1.5 O8.15 P S -","- C8 H24 Cu3 O16.3 P2 S2 -","2","1","","Sonnauer, Andreas; Feyand, Mark; Stock, Norbert","Synthesis of 4-Phosphonobutanesulfonic Acid and Systematic Investigation of Copper Phosphonatobutanesulfonates by High-Throughput Methods","Crystal Growth & Design","2009","9","1","586","","10.1021/cg8008865","","","0.71073","MoKα","","0.038","0.0286","","","0.0718","0.075","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509113","12.065","0.002","8.3587","0.0013","25.861","0.004","90","","99.548","0.003","90","","2571.9","0.7","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cu F6 N18 O12 S2 -","- C38 H48 Cu F6 N18 O12 S2 -","- C76 H96 Cu2 F12 N36 O24 S4 -","2","0.5","","Ding, Bin; Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural Variations Influenced by Ligand Conformation and Counteranions in Copper(II) Complexes with Flexible Bis-Triazole Ligand","Crystal Growth & Design","2009","9","1","593","","10.1021/cg8008943","","","0.71073","MoKα","","0.1207","0.0476","","","0.0983","0.1244","","","","","","1.007","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509114","22.296","0.012","9.268","0.005","20.969","0.011","90","","119.64","0.005","90","","3766","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cu F6 N12 O10 S2 -","- C26 H32 Cu F6 N12 O10 S2 -","- C104 H128 Cu4 F24 N48 O40 S8 -","4","0.5","","Ding, Bin; Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural Variations Influenced by Ligand Conformation and Counteranions in Copper(II) Complexes with Flexible Bis-Triazole Ligand","Crystal Growth & Design","2009","9","1","593","","10.1021/cg8008943","","","0.71073","MoKα","","0.0625","0.0556","","","0.1465","0.1508","","","","","","1.08","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509115","7.6671","0.0016","21.327","0.004","8.5287","0.0018","90","","106.559","0.002","90","","1336.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl Cu0.5 N6 -","- C12 H12 Cl Cu0.5 N6 -","- C48 H48 Cl4 Cu2 N24 -","4","1","","Ding, Bin; Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural Variations Influenced by Ligand Conformation and Counteranions in Copper(II) Complexes with Flexible Bis-Triazole Ligand","Crystal Growth & Design","2009","9","1","593","","10.1021/cg8008943","","","0.71073","MoKα","","0.0407","0.0313","","","0.0879","0.0917","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509116","24.199","0.004","9.6398","0.0016","15.528","0.003","90","","124.507","0.003","90","","2985","0.9","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 B2 Cu F8 N12 -","- C24 H24 B2 Cu F8 N12 -","- C96 H96 B8 Cu4 F32 N48 -","4","0.5","","Ding, Bin; Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Structural Variations Influenced by Ligand Conformation and Counteranions in Copper(II) Complexes with Flexible Bis-Triazole Ligand","Crystal Growth & Design","2009","9","1","593","","10.1021/cg8008943","","","0.71073","MoKα","","0.113","0.0574","","","0.1317","0.1631","","","","","","1.012","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509117","11.586","0.002","14.543","0.003","13.117","0.006","90","","119.57","0.02","90","","1922.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Co3 N2 O17 -","- C36 H32 Co3 N2 O17 -","- C72 H64 Co6 N4 O34 -","2","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Trinuclear Cobalt Based Porous Coordination Polymers Showing Unique Topological and Magnetic Variety upon Different Dicarboxylate-like Ligands","Crystal Growth & Design","2009","9","2","1066","","10.1021/cg800895g","","x-ray","0.71073","MoKα","","0.0424","0.0322","","","0.0728","0.0773","","","","","","1.033","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509118","32.997","0.007","9.7187","0.0019","18.392","0.004","90","","92.25","0.03","90","","5894","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Co3 N4 O18 -","- C42 H30 Co3 N4 O18 -","- C168 H120 Co12 N16 O72 -","4","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Trinuclear Cobalt Based Porous Coordination Polymers Showing Unique Topological and Magnetic Variety upon Different Dicarboxylate-like Ligands","Crystal Growth & Design","2009","9","2","1066","","10.1021/cg800895g","","x-ray","0.71073","MoKα","","0.1308","0.1182","","","0.3121","0.3211","","","","","","1.17","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509119","32.997","0.007","9.7187","0.0019","18.392","0.004","90","","92.25","0.03","90","","5894","2","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Co3 O16 -","- C32 H16 Co3 O16 -","- C128 H64 Co12 O64 -","4","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Trinuclear Cobalt Based Porous Coordination Polymers Showing Unique Topological and Magnetic Variety upon Different Dicarboxylate-like Ligands","Crystal Growth & Design","2009","9","2","1066","","10.1021/cg800895g","","x-ray","0.71073","MoKα","","0.0803","0.0634","","","0.1724","0.181","","","","","","1.014","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509120","22.55","0.01","14.187","0.007","25.681","0.012","90","","92.096","0.009","90","","8210","7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66.5 H66.5 Co3 N3.5 O19.5 -","- C62 H54 Co3 N2 O18 -","- C248 H216 Co12 N8 O72 -","4","1","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Trinuclear Cobalt Based Porous Coordination Polymers Showing Unique Topological and Magnetic Variety upon Different Dicarboxylate-like Ligands","Crystal Growth & Design","2009","9","2","1066","","10.1021/cg800895g","","","0.71073","MoKα","","0.3233","0.2256","","","0.4838","0.5282","","","","","","1.462","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509121","22.55","0.01","14.187","0.007","25.681","0.012","90","","92.096","0.009","90","","8210","7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H32 Co3 N3 O16 -","- C56 H32 Co3 O16 -","- C224 H128 Co12 O64 -","4","1","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Trinuclear Cobalt Based Porous Coordination Polymers Showing Unique Topological and Magnetic Variety upon Different Dicarboxylate-like Ligands","Crystal Growth & Design","2009","9","2","1066","","10.1021/cg800895g","","","0.71073","MoKα","","0.2041","0.1401","","","0.3393","0.3632","","","","","","0.941","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509122","15.7872","0.0002","17.1818","0.0003","19.9734","0.0004","64.672","0.008","85.659","0.001","89.496","0.003","4881.3","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H94 Cu6 Mo2 N18 O2 S8 -","- C92 H94 Cu6 Mo2 N18 O2 S8 -","- C184 H188 Cu12 Mo4 N36 O4 S16 -","2","1","","Chen, Jin-Xiang; Tang, Xiao-Yan; Chen, Yang; Zhang, Wen-Hua; Li, Ling-Ling; Yuan, Rong-Xin; Zhang, Yong; Lang, Jian-Ping","Formation of Four Different [MoOS3Cu3]-Based Coordination Polymers from the Same Components via Four Synthetic Routes","Crystal Growth & Design","2009","9","3","1461","","10.1021/cg800896k","","","0.7107","MoKα","","0.1078","0.0795","","","0.1959","0.2163","","","","","","1.119","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509123","9.901","0.002","25.752","0.005","18.883","0.004","90","","97.9","0.03","90","","4768.9","1.7","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H110 Cu6 Mo2 N14 O2 S10 -","- C78 H110 Cu6 Mo2 N14 O2 S10 -","- C156 H220 Cu12 Mo4 N28 O4 S20 -","2","1","","Chen, Jin-Xiang; Tang, Xiao-Yan; Chen, Yang; Zhang, Wen-Hua; Li, Ling-Ling; Yuan, Rong-Xin; Zhang, Yong; Lang, Jian-Ping","Formation of Four Different [MoOS3Cu3]-Based Coordination Polymers from the Same Components via Four Synthetic Routes","Crystal Growth & Design","2009","9","3","1461","","10.1021/cg800896k","","","0.71073","MoKα","","0.0953","0.0927","","","0.1547","0.1673","","","","","","1.139","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509124","9.9998","0.0017","27.294","0.003","17.664","0.003","90","","100.51","0.009","90","","4740.2","1.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Cu3 Mo N9 O S4 -","- C44 H41 Cu3 Mo N9 O S4 -","- C176 H164 Cu12 Mo4 N36 O4 S16 -","4","1","","Chen, Jin-Xiang; Tang, Xiao-Yan; Chen, Yang; Zhang, Wen-Hua; Li, Ling-Ling; Yuan, Rong-Xin; Zhang, Yong; Lang, Jian-Ping","Formation of Four Different [MoOS3Cu3]-Based Coordination Polymers from the Same Components via Four Synthetic Routes","Crystal Growth & Design","2009","9","3","1461","","10.1021/cg800896k","","","0.7107","MoKα","","0.0989","0.0947","","","0.1976","0.1997","","","","","","1.27","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509125","17.1042","0.0016","18.3052","0.001","20.236","0.002","75.305","0.011","86.882","0.012","67.409","0.008","5651.7","0.9","193","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H85 Cu6 Mo2 N18 O2 S8 -","- C89 H85 Cu6 Mo2 N18 O2 S8 -","- C178 H170 Cu12 Mo4 N36 O4 S16 -","2","1","","Chen, Jin-Xiang; Tang, Xiao-Yan; Chen, Yang; Zhang, Wen-Hua; Li, Ling-Ling; Yuan, Rong-Xin; Zhang, Yong; Lang, Jian-Ping","Formation of Four Different [MoOS3Cu3]-Based Coordination Polymers from the Same Components via Four Synthetic Routes","Crystal Growth & Design","2009","9","3","1461","","10.1021/cg800896k","","","0.7107","MoKα","","0.1102","0.0997","","","0.179","0.1837","","","","","","1.057","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509126","9.6086","0.0007","13.1115","0.001","7.2275","0.0005","90","","93.043","0.001","90","","909.26","0.11","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C25 H14 N4 -","- C25 H14 N4 -","- C50 H28 N8 -","2","0.25","","Al-Kaysi, Rabih O.; Müller, Astrid M.; Frisbee, Robert J.; Bardeen, Christopher J.","Formation of Cocrystal Nanorods by Solid-State Reaction of Tetracyanobenzene in 9-Methylanthracene Molecular Crystal Nanorods","Crystal Growth & Design","2009","9","4","1780","","10.1021/cg800898f","","","0.71073","MoKα","","0.0398","0.0365","","","0.1042","0.1077","","","","","","1.072","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509127","12.6237","0.0006","11.0518","0.0005","8.7066","0.0004","90","","100.048","0.001","90","","1196.07","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PdCl2(ATQACH2NH2)","","","- C10 H18 Cl2 N2 Pd -","- C10 H18 Cl2 N2 Pd -","- C40 H72 Cl8 N8 Pd4 -","4","1","","Gussenhoven, Emily M.; Jevric, Martyn; Olmstead, Marilyn M.; Fettinger, James C.; Mascal, Mark; Balch, Alan L.","Crystal Packing in Planar Platinum(II) and Palladium(II) Complexes. Hydrogen-Bond-Mediated Supramolecular Assembly of Ten Wedge-Shaped Molecules into a Cyclic Array","Crystal Growth & Design","2009","9","4","1786","","10.1021/cg800906x","","","0.71073","MoKα","","0.0177","0.0148","","","0.0358","0.0371","","","","","","1.039","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509128","13.205","0.005","31.572","0.012","22.652","0.009","90","","92.293","0.007","90","","9436","6","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6[PtCl2(ATQA-CH2NH2)].4(0.5(CH3CN))","","","- C64 H114 Cl12 N14 Pt6 -","- C54 H96 Cl12 N12 Pt6 -","- C216 H384 Cl48 N48 Pt24 -","4","1","","Gussenhoven, Emily M.; Jevric, Martyn; Olmstead, Marilyn M.; Fettinger, James C.; Mascal, Mark; Balch, Alan L.","Crystal Packing in Planar Platinum(II) and Palladium(II) Complexes. Hydrogen-Bond-Mediated Supramolecular Assembly of Ten Wedge-Shaped Molecules into a Cyclic Array","Crystal Growth & Design","2009","9","4","1786","","10.1021/cg800906x","","","0.71073","MoKα","","0.1555","0.1375","","","0.3306","0.3391","","","","","","1.316","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509129","14.278","0.0019","12.3927","0.0016","24.519","0.003","90","","95.554","0.002","90","","4318.1","1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3[PtCl2(ATQA-CH2NH2)].2(CH2Cl2)","","","- C32 H58 Cl10 N6 Pt3 -","- C32 H58 Cl10 N6 Pt3 -","- C128 H232 Cl40 N24 Pt12 -","4","1","","Gussenhoven, Emily M.; Jevric, Martyn; Olmstead, Marilyn M.; Fettinger, James C.; Mascal, Mark; Balch, Alan L.","Crystal Packing in Planar Platinum(II) and Palladium(II) Complexes. Hydrogen-Bond-Mediated Supramolecular Assembly of Ten Wedge-Shaped Molecules into a Cyclic Array","Crystal Growth & Design","2009","9","4","1786","","10.1021/cg800906x","","","0.71073","MoKα","","0.0539","0.0287","","","0.0586","0.0704","","","","","","1.079","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509130","4.79","0.02","10.46","0.03","34.2","0.1","87.9","0.2","86.2","0.2","89","0.2","1708","10","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 N O2 -","- C18 H18 N O2 -","- C72 H72 N4 O8 -","4","2","","Inoue, Katsunari; Tohnai, Norimitsu; Miyata, Mikiji; Matsumoto, Akikazu; Tani, Takahiro; Goto, Yuta; Shinkai, Seiji; Sada, Kazuki","Molecular Solid Solutions with Steric Complementary Pairing from the Binary Mixtures of 1-Naphthylmethylammonium Alkanoates","Crystal Growth & Design","2009","9","2","1072","","10.1021/cg800907c","","","1.5419","CuKα","","","0.0895","","","","0.1998","","","","","","1.635","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509131","12.9012","0.001","14.2134","0.0012","25.111","0.002","90","","90","","90","","4604.6","0.6","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H52 N4 O6 -","- C55 H49 N4 O6 -","- C220 H196 N16 O24 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid","Crystal Growth & Design","2009","9","1","602","","10.1021/cg800911x","","","0.71073","MoKα","","0.0723","0.0619","","","0.1493","0.1564","","","","","","1.048","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509132","12.9155","0.0009","14.2194","0.001","25.2284","0.0017","90","","90","","90","","4633.2","0.6","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H54 N4 O6 -","- C56 H51 N4 O6 -","- C224 H204 N16 O24 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid","Crystal Growth & Design","2009","9","1","602","","10.1021/cg800911x","","","0.71073","MoKα","","0.0783","0.0639","","","0.138","0.145","","","","","","1.071","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509133","12.8177","0.0008","14.4717","0.0009","25.1811","0.0015","90","","90","","90","","4670.9","0.5","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H56 N4 O6 -","- C57 H56 N4 O6 -","- C228 H224 N16 O24 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid","Crystal Growth & Design","2009","9","1","602","","10.1021/cg800911x","","","0.71073","MoKα","","0.0818","0.0667","","","0.1333","0.1403","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509134","19.125","0.004","12.927","0.003","13.787","0.003","90","","129.096","0.002","90","","2645.3","1","294","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cd N10 O7 S -","- C2 H12 Cd N10 O7 S -","- C16 H96 Cd8 N80 O56 S8 -","8","1","","Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min","Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers","Crystal Growth & Design","2009","9","1","606","","10.1021/cg8009157","","x-ray","0.71073","MoKα","","0.053","0.0258","","","0.0487","0.0566","","","","","","1.024","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509135","8.8482","0.0018","9.5706","0.0019","13.312","0.003","90","","102.43","0.03","90","","1100.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cd5 N20 O10 S2 -","- C4 H8 Cd5 N20 O10 S2 -","- C8 H16 Cd10 N40 O20 S4 -","2","0.5","","Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min","Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers","Crystal Growth & Design","2009","9","1","606","","10.1021/cg8009157","","x-ray","0.71073","MoKα","","0.0297","0.0248","","","0.053","0.0716","","","","","","1.202","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509136","3.7527","0.0008","16.473","0.003","8.0342","0.0016","90","","94.71","0.03","90","","494.98","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Cd Cl2 N10 -","- C2 H6 Cd Cl2 N10 -","- C4 H12 Cd2 Cl4 N20 -","2","0.5","","Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min","Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers","Crystal Growth & Design","2009","9","1","606","","10.1021/cg8009157","","x-ray","0.71073","MoKα","","0.0307","0.0287","","","0.0687","0.0699","","","","","","1.082","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509137","12.993","0.003","9.3582","0.0019","9.85","0.002","90","","90","","90","","1197.7","0.4","298","2","298","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H14 Cd3 Cl2 N22 -","- C8 H14 Cd3 Cl2 N22 -","- C16 H28 Cd6 Cl4 N44 -","2","0.25","","Yao, Ya-Li; Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min","Syntheses, Structures, and Characterizations of Two Pairs of Cd(II)-5-Aminotetrazolate Coordination Polymers","Crystal Growth & Design","2009","9","1","606","","10.1021/cg8009157","","x-ray","0.71073","MoKα","","0.0228","0.0188","","","0.0415","0.0425","","","","","","1.059","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509138","9.5574","0.0002","8.7122","0.0002","18.1866","0.0003","90","","100.459","0.001","90","","1489.16","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Br2 N4 Zn -","- C11 H16 Br2 N4 Zn -","- C44 H64 Br8 N16 Zn4 -","4","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0629","0.0321","","","0.064","0.0718","","","","","","0.994","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509139","13.4139","0.0007","13.4139","0.0007","31.309","0.003","90","","90","","90","","5633.5","0.7","120","2","120","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H32 N10 O6 Zn -","- C22 H32 N10 O6 Zn -","- C176 H256 N80 O48 Zn8 -","8","0.25","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0369","0.0297","","","0.078","0.0838","","","","","","1.092","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509140","9.2787","0.0004","8.7453","0.0003","17.7348","0.0007","90","","99.192","0.002","90","","1420.61","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Cl2 N4 Zn -","- C11 H16 Cl2 N4 Zn -","- C44 H64 Cl8 N16 Zn4 -","4","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0497","0.0312","","","0.0693","0.0757","","","","","","1.02","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509141","13.4095","0.0006","14.0204","0.0007","16.6409","0.0008","90","","90","","90","","3128.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N4 O4 Zn -","- C13 H18 N4 O4 Zn -","- C104 H144 N32 O32 Zn8 -","8","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0512","0.0333","","","0.0846","0.095","","","","","","1.028","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509142","9.9103","0.0002","12.8091","0.0002","13.3863","0.0002","90","","90","","90","","1699.28","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 I2 N4 O Zn -","- C11 H18 I2 N4 O Zn -","- C44 H72 I8 N16 O4 Zn4 -","4","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0243","0.0232","","","0.0555","0.056","","","","","","1.059","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509143","12.7651","0.0012","12.9336","0.0012","22.579","0.002","90","","90","","90","","3727.8","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 N8 O11 Zn2 -","- C30 H50 N8 O11 Zn2 -","- C120 H200 N32 O44 Zn8 -","4","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0899","0.0766","","","0.217","0.2346","","","","","","1.113","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509144","8.5742","0.0001","14.5932","0.0002","15.0547","0.0002","90","","91.288","0.001","90","","1883.24","0.04","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 F12 N8 O8 Zn2 -","- C30 H32 F12 N8 O8 Zn2 -","- C60 H64 F24 N16 O16 Zn4 -","2","0.5","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0527","0.0359","","","0.0891","0.0966","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509145","8.5549","0.0015","9.5391","0.0017","9.5715","0.0017","85.746","0.003","79.841","0.002","73.507","0.002","737","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 Cl4 N8 O2 Zn2 -","- C22 H36 Cl4 N8 O2 Zn2 -","- C22 H36 Cl4 N8 O2 Zn2 -","1","0.5","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0295","0.0251","","","0.0632","0.0649","","","","","","1.051","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509146","8.8415","0.0001","10.0385","0.0001","10.2123","0.0001","77.676","0.001","67.268","0.001","64.66","0.001","754.298","0.016","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 N4 O5 S Zn -","- C11 H18 N4 O5 S Zn -","- C22 H36 N8 O10 S2 Zn2 -","2","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0288","0.025","","","0.0626","0.0643","","","","","","1.066","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509147","22.833","0.004","14.036","0.002","8.6926","0.0015","90","","90","","90","","2785.8","0.8","120","2","120","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H16 N4 O4 S Zn -","- C11 H16 N4 O4 S Zn -","- C88 H128 N32 O32 S8 Zn8 -","8","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0855","0.0535","","","0.1221","0.1373","","","","","","1.04","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509148","15.562","0.006","10.281","0.004","9.436","0.004","90","","92.357","0.007","90","","1508.4","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0919","0.082","","","0.2258","0.2337","","","","","","1.134","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509149","6.4357","0.0017","6.896","0.0018","12.412","0.003","79.037","0.005","80.952","0.005","80.144","0.005","528.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","1","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0633","0.0516","","","0.1385","0.1586","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509150","5.7645","0.0016","7.607","0.002","19.109","0.005","84.851","0.005","83.797","0.005","89.241","0.005","829.7","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","1","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0774","0.0611","","","0.1474","0.1657","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509151","11.7712","0.0019","5.9268","0.0009","13.954","0.002","90","","108.614","0.003","90","","922.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C48 H40 N4 O4 -","2","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0588","0.0489","","","0.1232","0.1322","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509152","6","0.002","17.265","0.006","7.062","0.002","90","","92.296","0.006","90","","731","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0525","0.0428","","","0.099","0.1028","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509153","3.8081","0.0009","8.3558","0.0019","8.606","0.002","81.95","0.004","80.337","0.004","85.847","0.004","266.96","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0676","0.0654","","","0.1792","0.1824","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509154","6.8699","0.0007","25.45","0.003","7.6379","0.0008","90","","110.106","0.002","90","","1254","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0453","0.0407","","","0.1156","0.1187","","","","","","1.079","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509155","7.566","0.002","9.218","0.002","10.001","0.003","90","","111.328","0.005","90","","649.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0543","0.046","","","0.1088","0.1141","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509156","12.295","0.003","11.166","0.002","24.421","0.005","90","","97.102","0.004","90","","3326.9","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.1132","0.0844","","","0.2321","0.259","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509157","9.0768","0.0011","11.7248","0.0014","17.443","0.002","98.097","0.002","98.195","0.002","106.019","0.002","1734.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","- C72 H96 N12 O8 -","2","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0879","0.0656","","","0.1593","0.1756","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509158","8.8678","0.0013","4.9009","0.0007","24.411","0.004","90","","99.524","0.003","90","","1046.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0551","0.0508","","","0.1355","0.1482","","","","","","1.097","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509159","6.9691","0.0015","25.182","0.005","7.7714","0.0016","90","","111.272","0.004","90","","1270.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C64 H56 N4 O4 -","2","0.5","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0552","0.0455","","","0.1196","0.127","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509160","6.9526","0.0017","7.492","0.0018","17.118","0.004","100.783","0.004","90.162","0.004","101.822","0.004","856.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.06","0.0514","","","0.1405","0.1515","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509161","7.608","0.002","11.454","0.003","16.423","0.005","100.293","0.005","95.987","0.006","90.521","0.005","1399.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.078","0.0638","","","0.1649","0.1795","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509162","11.6591","0.0016","5.9135","0.0008","14.087","0.002","90","","107.618","0.002","90","","925.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0467","0.0423","","","0.1027","0.1084","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509163","15.579","0.003","8.5123","0.0019","17.781","0.004","90","","93.686","0.006","90","","2353.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O2 -","- C26 H32 N4 O2 -","- C104 H128 N16 O8 -","4","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.1054","0.0639","","","0.153","0.184","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509164","10.4816","0.0007","16.7672","0.0007","16.053","0.0012","90","","106.582","0.004","90","","2703.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cu2 N4 O8 -","- C28 H26 Cu2 N4 O8 -","- C112 H104 Cu8 N16 O32 -","4","1","","Cao, Xin-Yi; Lin, Qi-Pu; Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","In Situ Obtained Cu(II) Compound with Coexistence of Polycatenation and Polythreading","Crystal Growth & Design","2009","9","1","20","","10.1021/cg800938y","","","0.71073","MoKα","","0.0529","0.0424","","","0.1089","0.1172","","","","","","1.058","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509165","11.105","0.003","19.337","0.005","20.513","0.005","90","","94.632","0.004","90","","4391","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H81 Cu5 N10 O36.5 -","- C84 H56 Cu5 N10 O36.53 -","- C168 H112 Cu10 N20 O73.06 -","2","0.5","","Cao, Xin-Yi; Lin, Qi-Pu; Qin, Ye-Yan; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","In Situ Obtained Cu(II) Compound with Coexistence of Polycatenation and Polythreading","Crystal Growth & Design","2009","9","1","20","","10.1021/cg800938y","","","0.71073","MoKα","","0.1001","0.084","","","0.2455","0.2625","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509166","29.45","0.006","15.409","0.003","23.393","0.005","90","","111.8","0.03","90","","9856","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H59 Co4 F24 N4 O19 -","- C94 H60 Co4 F24 N4 O19 -","- C376 H240 Co16 F96 N16 O76 -","4","1","","Han, Lei; Zhou, Yan; Zhao, Wen-Na; Li, Xing; Liang, Yun-Xiao","Assembly of Metal−Organic Frameworks with Helical Layer: From 2D Parallel Interpenetrated Layer to 3D Self-Penetrating Network","Crystal Growth & Design","2009","9","2","660","","10.1021/cg800945m","","","0.71073","MoKα","","0.123","0.0982","","","0.2409","0.2566","","","","","","1.104","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509167","30.102","0.006","7.6184","0.0015","23.82","0.005","90","","122.29","0.03","90","","4618","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 Co F6 N O4 -","- C22 H13 Co F6 N O4 -","- C176 H104 Co8 F48 N8 O32 -","8","1","","Han, Lei; Zhou, Yan; Zhao, Wen-Na; Li, Xing; Liang, Yun-Xiao","Assembly of Metal−Organic Frameworks with Helical Layer: From 2D Parallel Interpenetrated Layer to 3D Self-Penetrating Network","Crystal Growth & Design","2009","9","2","660","","10.1021/cg800945m","","","0.71073","MoKα","","0.0621","0.0428","","","0.0957","0.1027","","","","","","1.085","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509168","13.3784","0.0003","13.3784","0.0003","34.0617","0.0012","90","","90","","120","","5279.7","0.3","150","","150","","","","","","","","CM3009","6","R -3 :H","-R 3","148","","","","- C30 H39 Cl Mn3 N3 O14 -","- C30 H39 Cl Mn3 N3 O14 -","- C180 H234 Cl6 Mn18 N18 O84 -","6","0.333333","","Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Supramolecular Entanglement from Interlocked Molecular Nanomagnets","Crystal Growth & Design","2009","9","1","24","","10.1021/cg800947z","","","0.71073","MoKα","","0.0387","0.0288","","0.0679","0.066","0.0679","","","","","","0.8547","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509169","15.6887","0.0003","15.6887","0.0003","22.2702","0.0008","90","","90","","120","","4747.1","0.2","150","","150","","","","","","","","CMs8","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H42 Cl Mn3 N6 O14 -","- C39 H30 Cl Mn3 N6 O11 -","- C156 H120 Cl4 Mn12 N24 O44 -","4","0.333333","","Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Supramolecular Entanglement from Interlocked Molecular Nanomagnets","Crystal Growth & Design","2009","9","1","24","","10.1021/cg800947z","","","0.71073","MoKα","","0.1095","0.0666","","0.1807","0.137","0.1807","","","","","","0.7718","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509170","13.4841","0.0004","18.4592","0.0005","19.6489","0.0006","90","","104.358","0.002","90","","4738","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 Mn6 N10 O20 -","- C96 H94 Mn6 N10 O20 -","- C192 H188 Mn12 N20 O40 -","2","0.5","","Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Supramolecular Entanglement from Interlocked Molecular Nanomagnets","Crystal Growth & Design","2009","9","1","24","","10.1021/cg800947z","","","0.71073","MoKα","","0.1119","0.0717","","0.1737","0.1528","0.1737","","","","","","0.9928","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509171","22.197","0.006","61.819","0.014","22.214","0.006","90","","118.519","0.004","90","","26783","12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H108 Cl3 N42 Ni9 O58 -","- C144 H108 Cl3 N42 Ni9 O58 -","- C576 H432 Cl12 N168 Ni36 O232 -","4","0.5","","Zhang, Qingfu; Jiang, Feilong; Huang, Yougui; Wu, Mingyan; Hong, Maochun","Coordination-Driven Face-Directed Self-Assembly of a M9L6Hexahedral Nanocage from Octahedral Ni(II) Ions and Asymmetric Hydrazone Ligands","Crystal Growth & Design","2009","9","1","28","","10.1021/cg800972x","","","0.71073","MoKα","","0.1179","0.0687","","","0.1936","0.2217","","","","","","1.023","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509172","9.636","0.0019","11.335","0.002","11.685","0.002","100.99","0.03","112.09","0.03","107.52","0.03","1059","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro -2,6-dimethyl-3,5-pyridinedicarboxylate formamide","","- C19 H22 Cl2 N2 O5 -","- C19 H22 Cl2 N2 O5 -","- C38 H44 Cl4 N4 O10 -","2","1","","Lou, Benyong; Velaga, Sitaram P.","Polymorph Control of Felodipine Form II in an Attempted Cocrystallization","Crystal Growth & Design","2009","9","3","1254","","10.1021/cg8009749","","","0.71073","MoKα","","0.0692","0.0627","","","0.1872","0.1978","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509173","32.392","0.007","18.717","0.004","23.711","0.005","90","","91","0.03","90","","14373","5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","felodipine","ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro -2,6-dimethyl-3,5-pyridinedicarboxylate","","- C72 H76 Cl8 N4 O16 -","- C72 H75 Cl8 N4 O16 -","- C576 H600 Cl64 N32 O128 -","8","1","","Lou, Benyong; Velaga, Sitaram P.","Polymorph Control of Felodipine Form II in an Attempted Cocrystallization","Crystal Growth & Design","2009","9","3","1254","","10.1021/cg8009749","","","0.71073","MoKα","","0.122","0.0999","","","0.2433","0.2611","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509174","5.1187","0.0009","16.019","0.003","8.556","0.002","90","","90.693","0.019","90","","701.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Li O4 -","- C8 H5 Li O4 -","- C32 H20 Li4 O16 -","4","1","","Clegg, William; Russo, Luca","Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors","Crystal Growth & Design","2009","9","2","1158","","10.1021/cg800991t","","","0.71073","MoKα","","0.0729","0.0501","","","0.1151","0.1257","","","","","","1.14","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509175","15.962","0.003","7.4739","0.0011","29.588","0.003","90","","104.928","0.012","90","","3410.7","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7.5 Na O5.25 -","- C8 H5 Na O5.25 -","- C128 H80 Na16 O84 -","16","4","","Clegg, William; Russo, Luca","Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors","Crystal Growth & Design","2009","9","2","1158","","10.1021/cg800991t","","","0.71073","MoKα","","0.1032","0.0696","","","0.1718","0.1905","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509176","3.7761","0.0002","5.7924","0.0002","17.0879","0.0012","95.283","0.005","92.67","0.005","92.126","0.005","371.44","0.04","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 O8 Rb -","- C16 H11 O8 Rb -","- C16 H11 O8 Rb -","1","0.5","","Clegg, William; Russo, Luca","Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors","Crystal Growth & Design","2009","9","2","1158","","10.1021/cg800991t","","","0.71073","MoKα","","0.0678","0.06","","","0.1705","0.179","","","","","","1.133","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509177","3.8753","0.0005","5.9053","0.0008","17.105","0.002","96.312","0.002","95.092","0.002","93.743","0.002","386.42","0.09","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Cs O8 -","- C16 H11 Cs O8 -","- C16 H11 Cs O8 -","1","0.5","","Clegg, William; Russo, Luca","Synthesis and Structures of Alkali Metal Complexes of Isophthalic Acid: The Interplay of Organic Supramolecular Interactions and Flexible Metal Coordination As Structure-Directing Factors","Crystal Growth & Design","2009","9","2","1158","","10.1021/cg800991t","","","0.71073","MoKα","","0.0489","0.0438","","","0.1004","0.1033","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509178","55.816","0.003","55.816","0.003","13.957","0.002","90","","90","","120","","37657","6","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H70.5 Cd3 N10 O22.25 -","- C84 H70.5 Cd3 N10 O22.25 -","- C1512 H1269 Cd54 N180 O400.5 -","18","0.5","","Huang, Kun-Lin; Liu, Xi; Chen, Xin; Wang, Da-Qi","Spontaneous Assembly of 63Topological Metal−Organic Nanotubes with Distinct Asymmetric Subunits for the Construction of Hydrophilic Intertube Channels Encapsulating Rare Helical Water-Chains","Crystal Growth & Design","2009","9","4","1646","","10.1021/cg800995h","","","0.71073","MoKα","","0.1516","0.0788","","","0.218","0.2806","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509179","14.6607","0.0006","15.2616","0.0007","16.551","0.0007","75.085","0.001","73.615","0.001","66.874","0.001","3221.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H103 Cl3 Co2 N8 -","- C210 H103 Cl3 Co2 N8 -","- C210 H103 Cl3 Co2 N8 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0653","0.0486","","","0.1257","0.1361","","","","","","1.047","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509180","25.884","0.001","17.649","0.001","15.33","0.001","90","","90","","90","","7003.2","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C216 H122 Cl2 Co2 N12 -","- C108 H61 Cl Co N6 -","- C432 H244 Cl4 Co4 N24 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0676","0.0493","","","0.132","0.1455","","","","","","1.055","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509181","25.646","0.001","18.25","0.001","15.062","0.001","90","","90","","90","","7049.6","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C110 H64 Cl2 Co N5 -","- C110 H64 Cl2 Co N5 -","- C440 H256 Cl8 Co4 N20 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0511","0.0476","","","0.1268","0.1289","","","","","","1.054","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509182","29.517","0.002","15.341","0.001","16.537","0.001","74.991","0.003","74.637","0.003","66.713","0.003","6531.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H100 Cl6 Fe2 N8 -","- C210 H100 Cl6 Fe2 N8 -","- C420 H200 Cl12 Fe4 N16 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.1899","0.0815","","","0.1788","0.2426","","","","","","1.023","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509183","26.17","0.001","17.901","0.001","15.026","0.001","90","","90","","90","","7039.2","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C109.88 H63.88 Cl0.25 Mn N6.88 -","- C109.875 H63.875 Cl0.25 Mn N6.875 -","- C439.5 H255.5 Cl Mn4 N27.5 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0464","0.0393","","","0.1062","0.112","","","","","","1.051","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509184","14.7566","0.0006","15.3974","0.0007","16.5921","0.0007","75.902","0.001","74.198","0.001","68.081","0.001","3322.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H100 Cl6 N8 Zn2 -","- C210 H100 Cl6 N8 Zn2 -","- C210 H100 Cl6 N8 Zn2 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0626","0.0459","","","0.129","0.1372","","","","","","1.085","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509185","25.707","0.0011","17.4702","0.0008","15.1678","0.0006","90","","90","","90","","6812","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C108.3 H60.3 Cl1.4 N6.3 Zn -","- C108.3 H60.3 Cl1.4 N6.3 Zn -","- C433.2 H241.2 Cl5.6 N25.2 Zn4 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0735","0.0525","","","0.1061","0.1161","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509186","26.1384","0.0013","17.8964","0.0009","14.9725","0.0008","90","","90","","90","","7003.9","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C109.75 H63.75 Cl0.5 N6.75 Zn -","- C109.75 H63.75 Cl0.5 N6.75 Zn -","- C439 H255 Cl2 N27 Zn4 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0836","0.0542","","","0.1187","0.1344","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509187","20.177","0.0015","15.218","0.001","29.833","0.002","90","","103.466","0.01","90","","8908.5","1.1","120","2","120","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C284 H142 Cl4 N12 S2 Zn2 -","- C284 H142 Cl4 N12 S2 Zn2 -","- C568 H284 Cl8 N24 S4 Zn4 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Design of Molecular and Ionic Complexes of Fullerene C60with Metal(II) Octaethylporphyrins, MIIOEP (M = Zn, Co, Fe, and Mn) Containing Coordination M−N(ligand) and M−C(C60−) Bonds","Crystal Growth & Design","2009","9","2","1170","","10.1021/cg8010184","","","0.71073","MoKα","","0.0846","0.0801","","","0.211","0.2158","","","","","","1.034","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509188","5.878","0.0006","8.4735","0.0012","15.5832","0.0016","90","","91.907","0.007","90","","775.73","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1119","0.0522","","","0.1285","0.1572","","","","","","0.955","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509189","15.646","0.016","10.158","0.011","10.456","0.011","90","","104.279","0.018","90","","1610","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1663","0.0772","","","0.1851","0.2332","","","","","","0.873","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509190","14.83","0.005","17.692","0.006","17.974","0.006","107.338","0.005","99.936","0.005","102.501","0.006","4250","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H100 N11 O22 Tb -","- C80 H100 N11 O22 Tb -","- C160 H200 N22 O44 Tb2 -","2","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.0984","0.0546","","","0.1007","0.1143","","","","","","0.897","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509191","13.421","0.007","14.936","0.008","18.031","0.01","74.28","0.009","72.802","0.008","75.939","0.009","3271","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H148 N14 O40 Tb2 -","- C102 H148 N14 O40 Tb2 -","- C102 H148 N14 O40 Tb2 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1576","0.0717","","","0.1582","0.2003","","","","","","0.923","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509192","12.532","0.011","15.748","0.014","17.757","0.016","100.188","0.013","107.017","0.014","102.701","0.014","3158","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H146 N18 O49 Tb2 -","- C108 H146 N18 O49 Tb2 -","- C108 H146 N18 O49 Tb2 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.0827","0.0515","","","0.1073","0.1147","","","","","","0.89","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509193","14.73","0.019","17.54","0.02","17.84","0.02","107.02","0.02","100.11","0.02","102.31","0.02","4164","9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H94 N11 O17 Tm -","- C82 H94 N11 O17 Tm -","- C164 H188 N22 O34 Tm2 -","2","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1176","0.0807","","","0.2212","0.2466","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509194","13.293","0.008","14.976","0.009","17.919","0.01","74.3","0.01","72.066","0.01","76.089","0.011","3219","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H148 N14 O40 Tm2 -","- C51 H74 N7 O20 Tm -","- C102 H148 N14 O40 Tm2 -","2","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1417","0.0622","","","0.133","0.1593","","","","","","0.848","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509195","14.131","0.009","14.823","0.01","17.441","0.011","67.778","0.01","70.407","0.01","77.634","0.01","3170","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H150 N12 O41 Tm2 -","- C107 H149 N14 O40 Tm2 -","- C107 H149 N14 O40 Tm2 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1025","0.0613","","","0.1439","0.1622","","","","","","1.011","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509196","14.756","0.005","17.623","0.006","17.904","0.006","107.352","0.006","100.022","0.006","102.197","0.006","4201","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H97 Dy N12 O23 -","- C80 H97 Dy N12 O23 -","- C160 H194 Dy2 N24 O46 -","2","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1368","0.0727","","","0.1573","0.1764","","","","","","0.986","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509197","14.752","0.002","17.554","0.003","17.876","0.002","106.567","0.003","100.08","0.002","102.121","0.003","4199.5","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H92 Lu N13 O23 -","- C80 H91 Lu N13 O23 -","- C160 H182 Lu2 N26 O46 -","2","1","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.0944","0.0606","","","0.1619","0.1733","","","","","","1.004","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509198","13.297","0.002","14.948","0.002","18.009","0.003","74.304","0.002","72.337","0.002","76.166","0.003","3235.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H134 Eu2 N18 O43 -","- C102 H134 Eu2 N18 O43 -","- C102 H134 Eu2 N18 O43 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1125","0.0742","","","0.1862","0.2047","","","","","","0.888","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509199","13.33","0.006","14.937","0.007","17.937","0.008","74.45","0.006","72.399","0.006","76.142","0.007","3230","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H152 Er2 N14 O38 -","- C106 H152 Er2 N14 O38 -","- C106 H152 Er2 N14 O38 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1187","0.0594","","","0.1332","0.1576","","","","","","0.913","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509200","13.251","0.01","14.976","0.012","17.915","0.014","74.279","0.013","71.925","0.012","76.289","0.013","3208","4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H116 Ho2 N14 O18 -","- C102 H136 Ho2 N14 O32 -","- C102 H136 Ho2 N14 O32 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1334","0.0624","","","0.1298","0.1569","","","","","","0.903","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509201","13.839","0.0018","15.0212","0.0019","17.725","0.002","65.372","0.002","72.986","0.002","79.134","0.003","3193.5","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H140 N12 O22 Sm2 -","- C108 H140 N18 O46 Sm2 -","- C108 H140 N18 O46 Sm2 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1201","0.0839","","","0.208","0.231","","","","","","0.909","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509202","14.157","0.015","14.818","0.015","17.344","0.019","67.487","0.018","69.836","0.016","77.873","0.017","3142","6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H140 Ho2 N14 O36 -","- C108 H140 Ho2 N14 O36 -","- C108 H140 Ho2 N14 O36 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1615","0.0793","","","0.137","0.1626","","","","","","0.969","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509203","14.21","0.014","14.773","0.015","17.198","0.017","66.839","0.013","68.383","0.013","78.423","0.016","3079","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H156 Lu2 N14 O40 -","- C112 H156 Lu2 N14 O40 -","- C112 H156 Lu2 N14 O40 -","1","0.5","","Tian, Yu-Peng; Li, Lin; Zhou, Yong-Hong; Wang, Peng; Zhou, Hong-Ping; Wu, Jie-Ying; Hu, Zhang-Jun; Yang, Jia-Xiang; Kong, Lin; Xu, Gui-Bao; Tao, Xu-Tang; Jiang, Min-Hua","Design and Synthesis of Two New Two-Photon Absorbing Pyridine Salts as Ligands and Their Rare Earth Complexes","Crystal Growth & Design","2009","9","3","1499","","10.1021/cg801022h","","","0.71073","MoKα","","0.1258","0.0731","","","0.1744","0.2023","","","","","","1.003","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509204","31.681","0.015","31.681","0.015","14.297","0.01","90","","90","","120","","12427","12","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H10 Cu O5 -","- C14 H10 Cu O5 -","- C252 H180 Cu18 O90 -","18","1","","Feng, Lu; Chen, Zhenxia; Liao, Tengbiao; Li, Peng; Jia, Yu; Liu, Xiaofeng; Yang, Yongtai; Zhou, Yaming","Supramolecular Isomerism of Metal−Organic Frameworks Derived from a Bicarboxylate Linker with Two Distinct Binding Motifs","Crystal Growth & Design","2009","9","3","1505","","10.1021/cg801026y","","","0.71073","MoKα","","0.0538","0.0362","","","0.083","0.0866","","","","","","0.865","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509205","18.119","0.005","18.119","0.005","12.935","0.005","90","","90","","90","","4247","2","293","2","293","2","","","","","","","","4","I 41","I 4bw","80","","","","- C14 H10 Cu O5 -","- C14 H10 Cu O5 -","- C112 H80 Cu8 O40 -","8","1","","Feng, Lu; Chen, Zhenxia; Liao, Tengbiao; Li, Peng; Jia, Yu; Liu, Xiaofeng; Yang, Yongtai; Zhou, Yaming","Supramolecular Isomerism of Metal−Organic Frameworks Derived from a Bicarboxylate Linker with Two Distinct Binding Motifs","Crystal Growth & Design","2009","9","3","1505","","10.1021/cg801026y","","","0.71073","MoKα","","0.0885","0.0809","","","0.2045","0.2087","","","","","","1.102","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509206","26.444","0.003","13.26","0.005","7.4188","0.0008","90","","90.097","0.005","90","","2601.4","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C112 H96 N32 O24 -","8","2","","Nichol, Gary S.; Clegg, William","Classical and Weak Hydrogen Bonding Interactions between 4,4′-Bipyridine and Organic Acids: From Co-Crystal to Organic Complex","Crystal Growth & Design","2009","9","4","1844","","10.1021/cg801028m","","","0.71069","MoKα","","0.0844","0.0587","","","0.123","0.1346","","","","","","1.144","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509207","7.867","0.0013","8.4719","0.0014","10.8666","0.0018","104.149","0.002","93.293","0.002","105.36","0.002","671.38","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N4 O4 -","- C15 H12 N4 O4 -","- C30 H24 N8 O8 -","2","1","","Nichol, Gary S.; Clegg, William","Classical and Weak Hydrogen Bonding Interactions between 4,4′-Bipyridine and Organic Acids: From Co-Crystal to Organic Complex","Crystal Growth & Design","2009","9","4","1844","","10.1021/cg801028m","","","0.71073","MoKα","","0.0637","0.0493","","","0.1267","0.1377","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509208","11.3","0.001","22.0984","0.0019","12.3302","0.0011","90","","109.571","0.001","90","","2901.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N9 O12 -","- C30 H24 N9 O12 -","- C120 H96 N36 O48 -","4","1","","Nichol, Gary S.; Clegg, William","Classical and Weak Hydrogen Bonding Interactions between 4,4′-Bipyridine and Organic Acids: From Co-Crystal to Organic Complex","Crystal Growth & Design","2009","9","4","1844","","10.1021/cg801028m","","","0.71073","MoKα","","0.0695","0.0576","","","0.1255","0.1309","","","","","","1.18","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509209","14.149","0.002","14.149","0.002","15.55","0.003","90","","90","","120","","2696","0.7","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C18 H27 N3 O3 -","- C18 H27 N3 O3 -","- C108 H162 N18 O18 -","6","0.333333","","Jiménez, Claudio A.; Belmar, Julio B.; Ortíz, Leandro; Hidalgo, Paulina; Fabelo, Oscar; Pasán, Jorge; Ruiz-Pérez, Catalina","Influence of the Aliphatic Wrapping in the Crystal Structure of Benzene Tricarboxamide Supramolecular Polymers","Crystal Growth & Design","2009","9","12","4987","","10.1021/cg801054e","","x-ray","0.71073","MoKα","","0.0678","0.063","","","0.1727","0.1784","","","","","","1.119","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509210","7.044","0.003","11.932","0.005","18.271","0.006","90","0.02","90","0.03","90","0.04","1535.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O3 -","- C15 H21 N3 O3 -","- C60 H84 N12 O12 -","4","1","","Jiménez, Claudio A.; Belmar, Julio B.; Ortíz, Leandro; Hidalgo, Paulina; Fabelo, Oscar; Pasán, Jorge; Ruiz-Pérez, Catalina","Influence of the Aliphatic Wrapping in the Crystal Structure of Benzene Tricarboxamide Supramolecular Polymers","Crystal Growth & Design","2009","9","12","4987","","10.1021/cg801054e","","x-ray","0.71073","MoKα","","0.0715","0.0457","","","0.0768","0.0852","","","","","","1.116","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509211","28.5185","0.0018","5.1607","0.0004","24.7363","0.0015","90","","103.448","0.004","90","","3540.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","carbamazepine:benzoic acid cocrystal (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide benzoic acid","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0679","0.0439","","","0.1127","0.1271","","","","","","1.063","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509212","7.3375","0.0008","14.7716","0.0017","15.8886","0.0018","69.376","0.008","84.178","0.009","88.266","0.009","1603.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","carbamazepine:acidpic acid cocrystal (2:1)","5H-Dibenz(b,f)azepine-5-carboxamide adipic acid'","","- C18 H17 N2 O3 -","- C18 H17 N2 O3 -","- C72 H68 N8 O12 -","4","2","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.1665","0.0515","","","0.1266","0.1955","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509213","7.0994","0.0003","12.7087","0.0006","20.1105","0.0009","90","","91.87","0.002","90","","1813.49","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine:4-hydroxybenzoic acid cocrystal, form A (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide 4-hydroxybenzoic acid","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0303","0.0288","","","0.0783","0.0797","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509214","13.3059","0.0009","6.6658","0.0004","20.7091","0.0014","90","","91.014","0.001","90","","1836.5","0.2","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","carbamazepine:4-hydroxybenzoic acid cocrystal, form C (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide 4-hydroxybenzoic acid","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","0.71073","MoKα","","0.0444","0.0411","","","0.1087","0.112","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509215","20.4438","0.0009","5.1527","0.0002","26.5197","0.0012","90","","95.264","0.002","90","","2781.8","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","carbamazepine host structure with 4-hydroxybenzoic acid removed","5H-Dibenz(b,f)azepine-5-carboxamide 4-hydroxybenzoic acid","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.046","0.0415","","","0.1179","0.1209","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509216","18.5619","0.001","5.1201","0.0003","19.4588","0.0009","90","","106.839","0.003","90","","1770.05","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","carbamazepine:glutaric acid cocrystal (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide glutaric acid","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0451","0.0371","","","0.097","0.1034","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509217","10.3327","0.0015","26.611","0.005","5.0875","0.0009","90","","104.258","0.009","90","","1355.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine host structure with malonic acid removed","5H-Dibenz(b,f)azepine-5-carboxamide malonic acid","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0805","0.0581","","","0.1885","0.2152","","","","","","1.11","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509218","5.1064","0.0006","19.783","0.002","18.328","0.002","90","","97.903","0.007","90","","1833.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","carbamazepine:salicylic acid cocrystal (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide salicylic acid","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0618","0.0443","","","0.113","0.1229","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509219","16.6411","0.0013","5.0526","0.0005","24.493","0.002","90","","99.062","0.006","90","","2033.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine:1-hydroxy-2-naphthoic acid cocrystal (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide 1-hydroxy-2-naphthoic acid","","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","- C104 H80 N8 O16 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.1078","0.0529","","","0.1095","0.1301","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509220","10.3006","0.0009","26.972","0.002","5.0718","0.0004","90","","104.235","0.006","90","","1365.82","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine host structure with DL-tartaric acid removed","5H-Dibenz(b,f)azepine-5-carboxamide DL-tartaric acid","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0507","0.046","","","0.1859","0.1954","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509221","10.4207","0.0014","26.168","0.004","5.2089","0.0007","90","","104.346","0.009","90","","1376.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine host structure with maleic acid removed","5H-Dibenz(b,f)azepine-5-carboxamide maleic acid","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.1169","0.0717","","","0.2128","0.2646","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509222","10.33","0.014","26.24","0.03","5.11","0.006","90","","104.21","0.03","90","","1343","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine host structure with oxalic acid removed","5H-Dibenz(b,f)azepine-5-carboxamide oxalic acid","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.3254","0.1408","","","0.3321","0.3923","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509223","12.5885","0.0006","13.1453","0.0006","14.482","0.0007","90","","105.745","0.002","90","","2306.56","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","carbamazepine:(+)-camphoric acid cocrystal (1:1)","5H-Dibenz(b,f)azepine-5-carboxamide (+)-camphoric acid","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","2","","Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.","Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD","Crystal Growth & Design","2009","9","4","1869","","10.1021/cg801056c","","","1.54178","CuKα","","0.0275","0.0268","","","0.0707","0.0715","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509224","14.755","0.005","6.228","0.002","5.929","0.002","90","","90","","90","","544.8","0.3","293","2","293.15","","","","","","","","","3","P m n 21","P 2ac -2","31","Barium Tetragallium Sulfide","","","- Ba Ga4 S7 -","- Ba Ga4 S7 -","- Ba2 Ga8 S14 -","2","0.5","","Lin, Xinsong; Zhang, Ge; Ye, Ning","Growth and Characterization of BaGa4S7: A New Crystal for Mid-IR Nonlinear Optics","Crystal Growth & Design","2009","9","2","1186","","10.1021/cg8010579","","","0.71073","MoKα","","","0.0185","","","","0.039","","","","","","0.947","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509225","10.813","0.002","7.5621","0.0015","10.064","0.002","90","","112.47","0.03","90","","760.4","0.3","113.15","","113.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H10 Cl0 N16 O Zn2 -","- C8 H10 N16 O Zn2 -","- C16 H20 N32 O2 Zn4 -","2","1","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0391","0.0363","","","0.0821","0.0947","","","","","","1.129","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509226","9.885","0.002","9.5013","0.0019","12.782","0.003","90","","111.29","0.03","90","","1118.6","0.5","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cd2 Cl2 N8 O -","- C4 H6 Cd2 Cl2 N8 O -","- C16 H24 Cd8 Cl8 N32 O4 -","4","1","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0235","0.0195","","","0.0512","0.0519","","","","","","1.108","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509227","8.576","0.006","9.43","0.007","11.43","0.008","82.908","0.012","70.653","0.01","85.374","0.011","864.7","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H36 Cd3 Cl0 N24 O12 -","- C12 H36 Cd3 N24 O12 -","- C12 H36 Cd3 N24 O12 -","1","0.5","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0943","0.0566","","","0.1206","0.1376","","","","","","1.063","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509228","5.5424","0.0011","15.704","0.003","9.5651","0.0019","90","","96.04","0.03","90","","827.9","0.3","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N8 O0 Zn -","- C5 H6 N8 Zn -","- C20 H24 N32 Zn4 -","4","1","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0299","0.0244","","","0.0517","0.0537","","","","","","1.055","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509229","13.663","0.005","37.256","0.008","10.932","0.002","90","","90","","90","","5565","3","293","2","293","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- C5 H5 Cd2 Cl2 N8 O0 -","- C5 H5 Cd2 Cl2 N8 -","- C80 H80 Cd32 Cl32 N128 -","16","1","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0406","0.03","","","0.0766","0.0828","","","","","","1.045","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509230","20.501","0.004","9.79","0.002","7.8907","0.0016","90","","90","","90","","1583.7","0.6","113.15","","113.15","","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C6 H20 Cl0 N8 O6 Zn -","- C6 H20 N8 O6 Zn -","- C24 H80 N32 O24 Zn4 -","4","0.5","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0315","0.0297","","","0.0734","0.0757","","","","","","0.904","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509231","7.8724","0.0016","17.206","0.003","9.2884","0.0019","90","","98.1","0.03","90","","1245.6","0.4","113.15","","113.15","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H24 Cd3 Cl2 Hg0 N16 O4 Zn0 -","- C12 H24 Cd3 Cl2 N16 O4 -","- C24 H48 Cd6 Cl4 N32 O8 -","2","0.25","","Tong, Xiao-Lan; Wang, Duo-Zhi; Hu, Tong-Liang; Song, Wei-Chao; Tao, Ying; Bu, Xian-He","Zinc and Cadmium Coordination Polymers with Bis(tetrazole) Ligands Bearing Flexible Spacers: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","5","2280","","10.1021/cg8010629","","","0.71073","MoKα","","0.0296","0.0285","","","0.0746","0.075","","","","","","1.217","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509232","10.5446","0.0008","12.735","0.001","6.5426","0.0005","90","","92.456","0.002","90","","877.77","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C36 H52 Cl4 Ti2 -","2","1","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","0.71073","Mo-Kα","","0.0311","0.0298","","","0.0816","0.0826","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509233","10.5539","0.001","12.8757","0.0012","13.0817","0.0012","90","","90","","90","","1777.7","0.3","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C72 H104 Cl8 Ti4 -","4","1","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","0.71073","Mo-Kα","","0.0358","0.0294","","","0.0661","0.0693","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509234","10.7173","0.0001","12.8649","0.0002","13.1891","0.0002","90","","90","","90","","1818.47","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C72 H104 Cl8 Ti4 -","4","1","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","1.54178","Cu-Kα","","0.0465","0.0308","","","0.0772","0.0855","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509235","10.8149","0.0002","12.8832","0.0002","6.6247","0.0001","90","","90","","90","","923.02","0.03","571","2","571","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C36 H52 Cl4 Ti2 -","2","0.5","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","1.54178","Cu-Kα","","0.0273","0.0262","","","0.0734","0.0744","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509236","9.675","0.002","10.145","0.003","14.934","0.004","97.226","0.004","96.57","0.005","94.312","0.004","1438.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H34 O6 -","- C32 H34 O6 -","- C64 H68 O12 -","2","1","","Yoon, Il; Benítez, Diego; Miljanić, Ognjen Š.; Zhao, Yan-Li; Tkatchouk, Ekaterina; Goddard, William A.; Stoddart, J. Fraser","Rigidity−Stability Relationship in Interlocked Model Complexes Containing Phenylene-Ethynylene-Based Disubstituted Naphthalene and Benzene","Crystal Growth & Design","2009","9","5","2300","","10.1021/cg801106h","","","0.71073","MoKα","","0.2853","0.1123","","","0.3766","0.4435","","","","","","1.111","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509237","7.6341","0.0006","19.5127","0.0016","10.6427","0.0009","90","","93.801","0.001","90","","1581.9","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 O6 -","- C36 H36 O6 -","- C72 H72 O12 -","2","0.5","","Yoon, Il; Benítez, Diego; Miljanić, Ognjen Š.; Zhao, Yan-Li; Tkatchouk, Ekaterina; Goddard, William A.; Stoddart, J. Fraser","Rigidity−Stability Relationship in Interlocked Model Complexes Containing Phenylene-Ethynylene-Based Disubstituted Naphthalene and Benzene","Crystal Growth & Design","2009","9","5","2300","","10.1021/cg801106h","","","0.71073","MoKα","","0.0693","0.0432","","","0.1192","0.133","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509238","9.9579","0.0015","15.036","0.002","7.4992","0.0011","90","","93.717","0.003","90","","1120.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br2 O6 -","- C20 H26 Br2 O6 -","- C40 H52 Br4 O12 -","2","0.5","","Yoon, Il; Benítez, Diego; Miljanić, Ognjen Š.; Zhao, Yan-Li; Tkatchouk, Ekaterina; Goddard, William A.; Stoddart, J. Fraser","Rigidity−Stability Relationship in Interlocked Model Complexes Containing Phenylene-Ethynylene-Based Disubstituted Naphthalene and Benzene","Crystal Growth & Design","2009","9","5","2300","","10.1021/cg801106h","","","0.71073","MoKα","","0.0881","0.0402","","","0.096","0.1089","","","","","","0.859","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509239","4.4123","0.0006","10.7885","0.0015","19.172","0.003","90","","93.731","0.002","90","","910.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br2 O6 -","- C16 H24 Br2 O6 -","- C32 H48 Br4 O12 -","2","0.5","","Yoon, Il; Benítez, Diego; Miljanić, Ognjen Š.; Zhao, Yan-Li; Tkatchouk, Ekaterina; Goddard, William A.; Stoddart, J. Fraser","Rigidity−Stability Relationship in Interlocked Model Complexes Containing Phenylene-Ethynylene-Based Disubstituted Naphthalene and Benzene","Crystal Growth & Design","2009","9","5","2300","","10.1021/cg801106h","","","0.71073","MoKα","","0.0302","0.0225","","","0.0489","0.0513","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509240","13.6845","0.0001","7.3769","0.0001","25.9675","0.0003","90","","90","","90","","2621.4","0.05","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C16 H14 N2 Ni O2 -","- C16 H14 N2 Ni O2 -","- C128 H112 N16 Ni8 O16 -","8","1","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0201","0.0186","","","0.0522","0.0532","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509241","13.86287","0.00018","6.9488","0.0004","18.0933","0.0009","90","","90.108","0.002","90","","1742.93","0.13","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl3 N2 Ni O2 -","- C17 H15 Cl3 N2 Ni O2 -","- C68 H60 Cl12 N8 Ni4 O8 -","4","1","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0563","0.037","","","0.072","0.0779","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509242","14.2272","0.0004","6.9948","0.0003","18.3352","0.0004","90","","90","","90","","1824.65","0.1","295","2","295","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C17 H15 Cl3 N2 Ni O2 -","- C17 H15 Cl3 N2 Ni O2 -","- C68 H60 Cl12 N8 Ni4 O8 -","4","0.5","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0614","0.0466","","","0.1068","0.1184","","","","","","1.095","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509243","13.1553","0.0007","6.8022","0.0005","19.1853","0.0009","90","","90.998","0.003","90","","1716.54","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl2 N2 Ni O2 -","- C17 H16 Cl2 N2 Ni O2 -","- C68 H64 Cl8 N8 Ni4 O8 -","4","1","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0662","0.0397","","","0.0852","0.097","","","","","","1.079","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509244","11.4941","0.0005","7.3622","0.0003","10.015","0.0006","93.812","0.002","102.231","0.002","100.008","0.003","810.94","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 Ni O4 -","- C18 H18 N2 Ni O4 -","- C36 H36 N4 Ni2 O8 -","2","1","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0571","0.0413","","","0.0978","0.1043","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509245","18.3435","0.0005","6.7923","0.0002","26.7611","0.0006","90","","90","","90","","3334.29","0.15","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H20 N2 Ni O3.5 -","- C17.5 H20 N2 Ni O3.5 -","- C140 H160 N16 Ni8 O28 -","8","1","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0427","0.0278","","","0.0579","0.0636","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509246","16.2461","0.0012","14.9863","0.0011","6.3995","0.0005","90","","93.225","0.005","90","","1555.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Platinum bis(phenylisocyanide) dichloride","Dichlorobis(phenylisocyanide)platinum(II)","","- C14 H10 Cl2 N2 Pt -","- C14 H10 Cl2 N2 Pt -","- C56 H40 Cl8 N8 Pt4 -","4","1","","Sluch, Ilya M.; Miranda, Anthea J.; Slaughter, LeGrande M.","Channeled Polymorphs ofcis-M(CNPh)2Cl2(M = Pt, Pd) With Extended Metallophilic Interactions","Crystal Growth & Design","2009","9","3","1267","","10.1021/cg801116q","","x-ray","0.71073","MoKα","","0.0423","0.0343","","","0.0956","0.0989","","","","","","1.109","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509247","9.9016","0.0001","11.7921","0.0002","12.7424","0.0002","90","","102.259","0.001","90","","1453.89","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Platinum bis(phenylisocyanide) dichloride","cis-Dichlorobis(phenylisocyanide)platinum(II)","","- C14 H10 Cl2 N2 Pt -","- C14 H10 Cl2 N2 Pt -","- C56 H40 Cl8 N8 Pt4 -","4","1","","Sluch, Ilya M.; Miranda, Anthea J.; Slaughter, LeGrande M.","Channeled Polymorphs ofcis-M(CNPh)2Cl2(M = Pt, Pd) With Extended Metallophilic Interactions","Crystal Growth & Design","2009","9","3","1267","","10.1021/cg801116q","","x-ray","0.71073","MoKα","","0.0228","0.0189","","","0.0405","0.0415","","","","","","1.042","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509248","16.1828","0.0004","15.0511","0.0004","6.3484","0.0001","90","","93.164","0.001","90","","1543.92","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Palladium bis(phenylisocyanide) dichloride","cis-Dichlorobis(phenylisocyanide)palladium(II)","","- C14 H10 Cl2 N2 Pd -","- C14 H10 Cl2 N2 Pd -","- C56 H40 Cl8 N8 Pd4 -","4","1","","Sluch, Ilya M.; Miranda, Anthea J.; Slaughter, LeGrande M.","Channeled Polymorphs ofcis-M(CNPh)2Cl2(M = Pt, Pd) With Extended Metallophilic Interactions","Crystal Growth & Design","2009","9","3","1267","","10.1021/cg801116q","","x-ray","0.71073","MoKα","","0.0303","0.0255","","","0.0741","0.0763","","","","","","1.056","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509249","9.9103","0.0014","11.801","0.0017","12.7677","0.0018","90","","101.841","0.006","90","","1461.4","0.4","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(phenylisocyanide) palladium dichloride","cis-Dichlorobis(phenylisocyanide)palladium(II)","","- C14 H10 Cl2 N2 Pd -","- C14 H10 Cl2 N2 Pd -","- C56 H40 Cl8 N8 Pd4 -","4","1","","Sluch, Ilya M.; Miranda, Anthea J.; Slaughter, LeGrande M.","Channeled Polymorphs ofcis-M(CNPh)2Cl2(M = Pt, Pd) With Extended Metallophilic Interactions","Crystal Growth & Design","2009","9","3","1267","","10.1021/cg801116q","","x-ray","0.71073","MoKα","","0.0214","0.0183","","","0.044","0.0454","","","","","","1.048","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509250","15.5075","0.0011","33.993","0.002","10.4725","0.0008","90","","90","","90","","5520.5","0.7","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H50 Co3 N3 O13 S2 -","- C51 H50 Co3 N3 O13 S2 -","- C204 H200 Co12 N12 O52 S8 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart. R.; Wang, Jian-Ge","Two Coordination Polymers Involving Triangular and Linear Trinuclear Co(II) Clusters Created Via In situ Ligand Synthesis","Crystal Growth & Design","2009","9","5","2036","","10.1021/cg801120y","","","0.71073","MoKα","","0.105","0.0714","","","0.1666","0.1905","","","","","","1.024","","","","has coordinates,has disorder","179628","2020-10-21","18:00:00",""
"4509251","9.5384","0.0005","12.1759","0.0006","19.313","0.0013","101.152","0.001","100.351","0.001","105.304","0.001","2058.5","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Co2 N2 O12 S -","- C35 H42 Co2 N2 O12 S -","- C70 H84 Co4 N4 O24 S2 -","2","1","","Ma, Lu-Fang; Wang, Yao-Yu; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart. R.; Wang, Jian-Ge","Two Coordination Polymers Involving Triangular and Linear Trinuclear Co(II) Clusters Created Via In situ Ligand Synthesis","Crystal Growth & Design","2009","9","5","2036","","10.1021/cg801120y","","","0.71073","MoKα","","0.0487","0.0406","","","0.1175","0.1237","","","","","","1.053","","","","has coordinates,has disorder","179628","2020-10-21","18:00:00",""
"4509252","10.8953","0.0016","10.8953","0.0016","6.9381","0.0015","90","","90","","120","","713.3","0.2","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B3 Ba3 F5 O9 Sr4 -","- B3 Ba3 F5 O9 Sr4 -","- B6 Ba6 F10 O18 Sr8 -","2","0.166667","","Zhang, Guochun; Liu, Zuoliang; Zhang, Jianxiu; Fan, Feidi; Liu, Youchen; Fu, Peizhen","Crystal Growth, Structure, and Properties of a Non-Centrosymmetric Fluoride Borate, Ba3Sr4(BO3)3F5","Crystal Growth & Design","2009","9","7","3137","","10.1021/cg801124z","","","0.71073","MoKα","","0.0523","0.0505","","","0.1377","0.1394","","","","","","1.132","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509253","9.5932","0.0011","9.8128","0.0011","38.681","0.004","90","","90","","90","","3641.3","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H26 N4 O8 Zn2 -","- C38 H26 N4 O8 Zn2 -","- C152 H104 N16 O32 Zn8 -","4","1","","Sun, Qian; Yue, Qi; Zhang, Jian-Yong; Wang, Li; Li, Xue; Gao, En-Qing","Hydrothermal Synthesis, Structures, and Properties of Manganese(II) and Zinc(II) Coordination Polymers with Different Phenylenediacrylates","Crystal Growth & Design","2009","9","5","2310","","10.1021/cg8011266","","","0.71073","MoKα","","0.1288","0.074","","","0.1564","0.1827","","","","","","1.057","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509254","16.602","0.005","14.728","0.004","18.757","0.005","90","","90","","90","","4586","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N2 O5.5 Zn -","- C24 H18.484 N2 O5.5 Zn -","- C192 H147.872 N16 O44 Zn8 -","8","1","","Sun, Qian; Yue, Qi; Zhang, Jian-Yong; Wang, Li; Li, Xue; Gao, En-Qing","Hydrothermal Synthesis, Structures, and Properties of Manganese(II) and Zinc(II) Coordination Polymers with Different Phenylenediacrylates","Crystal Growth & Design","2009","9","5","2310","","10.1021/cg8011266","","","0.71073","MoKα","","0.1644","0.0719","","","0.1847","0.2245","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509255","27.667","0.004","10.2039","0.0015","15.196","0.002","90","","109.246","0.002","90","","4050.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Mn N2 O4 -","- C24 H16 Mn N2 O4 -","- C192 H128 Mn8 N16 O32 -","8","1","","Sun, Qian; Yue, Qi; Zhang, Jian-Yong; Wang, Li; Li, Xue; Gao, En-Qing","Hydrothermal Synthesis, Structures, and Properties of Manganese(II) and Zinc(II) Coordination Polymers with Different Phenylenediacrylates","Crystal Growth & Design","2009","9","5","2310","","10.1021/cg8011266","","","0.71073","MoKα","","0.0778","0.045","","","0.1246","0.1574","","","","","","0.814","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509256","10.631","0.002","11.318","0.002","13.004","0.003","109.31","0.03","111.39","0.03","99.49","0.03","1300.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 Mn N3 O7 -","- C27 H27 Mn N3 O7 -","- C54 H54 Mn2 N6 O14 -","2","1","","Sun, Qian; Yue, Qi; Zhang, Jian-Yong; Wang, Li; Li, Xue; Gao, En-Qing","Hydrothermal Synthesis, Structures, and Properties of Manganese(II) and Zinc(II) Coordination Polymers with Different Phenylenediacrylates","Crystal Growth & Design","2009","9","5","2310","","10.1021/cg8011266","","","0.71073","MoKα","","0.0844","0.0509","","","0.1121","0.1284","","","","","","1.009","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509257","10.3118","0.0004","17.6601","0.0014","19.7133","0.0016","90","","90","","90","","3589.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[4-[2-(4-chlorobenzamide)ethyl]phenoxy]-2-methylpropanoic acid","","- C19 H20 Cl N O4 -","- C19 H20 Cl N O4 -","- C152 H160 Cl8 N8 O32 -","8","2","","Lemmerer, Andreas; Báthori, Nikoletta B.; Esterhuysen, Catharine; Bourne, Susan A.; Caira, Mino R.","Concomitant Polymorphs of the Antihyperlipoproteinemic Bezafibrate","Crystal Growth & Design","2009","9","6","2646","","10.1021/cg8011298","","","0.71073","MoKα","","0.102","0.044","","","0.0756","0.091","","","","","","0.979","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509258","10.7849","0.0005","15.7886","0.0007","11.4932","0.0005","90","","115.875","0.002","90","","1760.85","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-[2-(4-chlorobezamide)ethyl]phenoxy]-2-methylpropanoic acid","","- C19 H20 Cl N O4 -","- C19 H20 Cl N O4 -","- C76 H80 Cl4 N4 O16 -","4","1","","Lemmerer, Andreas; Báthori, Nikoletta B.; Esterhuysen, Catharine; Bourne, Susan A.; Caira, Mino R.","Concomitant Polymorphs of the Antihyperlipoproteinemic Bezafibrate","Crystal Growth & Design","2009","9","6","2646","","10.1021/cg8011298","","","0.71073","MoKα","","0.0977","0.0458","","","0.119","0.1538","","","","","","0.798","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509259","14.467","0.002","14.467","0.002","31.123","0.01","90","","90","","120","","5641","2","293","2","293","2","","","","","","","","4","P 31","P 31","144","","","","- C39 H30 N3 O9 -","- C39 H30 N3 O9 -","- C234 H180 N18 O54 -","6","2","","Rajput, Lalit; Biradha, Kumar","Design of Cocrystals via New and Robust Supramolecular Synthon between Carboxylic Acid and Secondary Amide: Honeycomb Network with Jailed Aromatics","Crystal Growth & Design","2009","9","1","40","","10.1021/cg801132r","","","0.71073","MoKα","","0.0883","0.0625","","","0.1584","0.1719","","","","","","0.975","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509260","12.649","0.002","13.511","0.002","13.764","0.002","63.952","0.005","66.399","0.005","67.143","0.005","1870.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N6 O10 -","- C36 H30 N6 O10 -","- C72 H60 N12 O20 -","2","1","","Rajput, Lalit; Biradha, Kumar","Design of Cocrystals via New and Robust Supramolecular Synthon between Carboxylic Acid and Secondary Amide: Honeycomb Network with Jailed Aromatics","Crystal Growth & Design","2009","9","1","40","","10.1021/cg801132r","","","0.71073","MoKα","","0.1138","0.0652","","","0.1706","0.1905","","","","","","1.021","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509261","13.6585","0.0009","14.4334","0.001","22.3601","0.0015","90","","100.326","0.002","90","","4336.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N6 O16 -","- C46 H39 N6 O16 -","- C184 H156 N24 O64 -","4","1","","Rajput, Lalit; Biradha, Kumar","Design of Cocrystals via New and Robust Supramolecular Synthon between Carboxylic Acid and Secondary Amide: Honeycomb Network with Jailed Aromatics","Crystal Growth & Design","2009","9","1","40","","10.1021/cg801132r","","","0.71073","MoKα","","0.08","0.0577","","","0.154","0.1655","","","","","","1.111","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509262","12.534","0.001","15.641","0.001","9.075","","90","","123.63","","90","","1481.34","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 Cl0.5 O5 Pr0.5 -","- C3 H9 Cl0.5 O5 Pr0.5 -","- C24 H72 Cl4 O40 Pr4 -","8","1","","Michaelides, Adonis; Skoulika, Stavroula","Anion-Induced Formation of Lanthanide-Organic Chains From 3D Framework Solids. Anion Exchange in a Crystal-to-Crystal Manner","Crystal Growth & Design","2009","9","5","2039","","10.1021/cg801138e","","","0.71073","MoKα","","0.0315","0.0313","","","0.1045","0.1047","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509263","12.452","0.003","15.513","0.002","9.03","0.004","90","","123.6","0.02","90","","1452.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 Cl0.5 O5 Sm0.5 -","- C3 H9 Cl0.5 O5 Sm0.5 -","- C24 H72 Cl4 O40 Sm4 -","8","1","","Michaelides, Adonis; Skoulika, Stavroula","Anion-Induced Formation of Lanthanide-Organic Chains From 3D Framework Solids. Anion Exchange in a Crystal-to-Crystal Manner","Crystal Growth & Design","2009","9","5","2039","","10.1021/cg801138e","","","0.71073","MoKα","","0.0358","0.0328","","","0.0982","0.0998","","","","","","1.189","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509264","12.525","0.002","16.039","0.002","8.853","0.001","90","","122.59","0.01","90","","1498.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 N0.5 O6.5 Sm0.5 -","- C3 H9 N0.5 O6.5 Sm0.5 -","- C24 H72 N4 O52 Sm4 -","8","1","","Michaelides, Adonis; Skoulika, Stavroula","Anion-Induced Formation of Lanthanide-Organic Chains From 3D Framework Solids. Anion Exchange in a Crystal-to-Crystal Manner","Crystal Growth & Design","2009","9","5","2039","","10.1021/cg801138e","","","0.71073","MoKα","","0.0276","0.0263","","","0.0766","0.0773","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509265","12.594","0.001","16.166","0.001","8.91","0.001","90","","122.59","","90","","1528.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 N0.5 O6.5 Pr0.5 -","- C3 H9 N0.5 O6.5 Pr0.5 -","- C24 H72 N4 O52 Pr4 -","8","1","","Michaelides, Adonis; Skoulika, Stavroula","Anion-Induced Formation of Lanthanide-Organic Chains From 3D Framework Solids. Anion Exchange in a Crystal-to-Crystal Manner","Crystal Growth & Design","2009","9","5","2039","","10.1021/cg801138e","","","0.71073","MoKα","","0.0289","0.0276","","","0.1062","0.1074","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509266","12.474","0.001","15.978","0.001","8.829","","90","","122.58","","90","","1482.8","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 Gd0.5 N0.5 O6.5 -","- C3 H9 Gd0.5 N0.5 O6.5 -","- C24 H72 Gd4 N4 O52 -","8","1","","Michaelides, Adonis; Skoulika, Stavroula","Anion-Induced Formation of Lanthanide-Organic Chains From 3D Framework Solids. Anion Exchange in a Crystal-to-Crystal Manner","Crystal Growth & Design","2009","9","5","2039","","10.1021/cg801138e","","","0.71073","MoKα","","0.0222","0.0217","","","0.0688","0.0693","","","","","","0.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509267","12.41","0.001","15.46","0.003","9.006","0.001","90","","123.52","0.01","90","","1440.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 Cl0.5 Gd0.5 O5 -","- C3 H9 Cl0.5 Gd0.5 O5 -","- C24 H72 Cl4 Gd4 O40 -","8","1","","Michaelides, Adonis; Skoulika, Stavroula","Anion-Induced Formation of Lanthanide-Organic Chains From 3D Framework Solids. Anion Exchange in a Crystal-to-Crystal Manner","Crystal Growth & Design","2009","9","5","2039","","10.1021/cg801138e","","","0.71073","MoKα","","0.0244","0.0238","","","0.0728","0.0732","","","","","","1.096","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509268","10.54226","0.0002","10.94869","0.00029","7.09935","0.0001","107.91","0.0015","97.7465","0.0014","88.0882","0.001","772.58","0.03","","","","","","","","","","","","4","P -1","-P 1","2","hydrate of 5-methyl-2-pyridone and trimesic acid","","","- C15 H15 N O8 -","- C15 H15 N O8 -","- C30 H30 N2 O16 -","2","1","","Fujii, Kotaro; Ashida, Yasunari; Uekusa, Hidehiro; Hirano, Shinya; Toyota, Shinji; Toda, Fumio; Pan, Zhigang; Harris, Kenneth D. M.","Vapour Induced Crystalline Transformation Investigated byab initioPowder X-ray Diffraction Analysis","Crystal Growth & Design","2009","9","2","1201","","10.1021/cg801142p","powder diffraction","x-ray","1.2368","","","","","","","","","0.08028","","4.91","","","","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509269","11.5274","0.0012","11.9967","0.0012","10.7001","0.0011","90","","111.328","0.002","90","","1378.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium 3,5-dimethyl-4-hydroxybenzoate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.055","0.0467","","","0.1162","0.1214","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509270","7.9596","0.001","9.2141","0.0012","10.1006","0.0013","83.02","0.002","78.551","0.002","88.151","0.001","720.64","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Aminopyridinium 3-chloro-4-hydroxybenzoate hydrate","","- C12 H15 Cl N2 O5 -","- C12 H15 Cl N2 O5 -","- C24 H30 Cl2 N4 O10 -","2","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.1373","0.09","","","0.1873","0.2083","","","","","","1.183","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509271","12.0905","0.0016","9.0847","0.0012","12.0905","0.0016","90","","118.3","","90","","1169.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium 3-flouro-4-hydroxybenzoate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C48 H44 F4 N8 O12 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0507","0.0435","","","0.1148","0.1218","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509272","7.1711","0.0007","12.8232","0.0013","13.2749","0.0014","90","","95.314","0.002","90","","1215.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium 3-flouro-4-hydroxybenzoate hydrate","","- C12 H13 F N2 O4 -","- C12 H13 F N2 O4 -","- C48 H52 F4 N8 O16 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0701","0.0589","","","0.1362","0.1426","","","","","","1.148","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509273","11.9491","0.0013","9.0539","0.001","11.1731","0.0012","90","","115.078","0.001","90","","1094.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium 4-hydroxybenzoate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0375","0.0351","","","0.0904","0.0926","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509274","21.8769","0.0011","11.7814","0.0006","14.6796","0.0007","90","","90","","90","","3783.5","0.3","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3-Aminopyridinium 3,5-dihydroxybenzoate (3,5-dihydroxybenzoic acid)","","- C19 H18 N2 O8 -","- C19 H18 N2 O8 -","- C152 H144 N16 O64 -","8","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.1082","0.0864","","","0.1596","0.1691","","","","","","1.211","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509275","8.5521","0.0008","12.7834","0.0012","10.7993","0.0011","90","","111.649","0.001","90","","1097.35","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium 3-hydroxybenzoate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0368","0.0348","","","0.0906","0.0924","","","","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509276","8.772","0.0009","12.1664","0.0012","14.0288","0.0014","90","","104.823","0.002","90","","1447.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium 3,5-dimethyl-4-hydroxybenzoate hydrate","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0748","0.0493","","","0.1195","0.1358","","","","","","0.954","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509277","11.9368","0.0015","8.3774","0.0011","12.6509","0.0017","90","","109.183","0.002","90","","1194.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Aminopyridinium 3-chloro-4-hydroxybenzoate","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0694","0.0466","","","0.1019","0.112","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509278","9.6416","0.0015","10.5167","0.0016","11.7845","0.0019","90","","105.398","0.002","90","","1152","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Aminopyridinium 3,5-dihydroxybenzoate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0675","0.0457","","","0.1026","0.1133","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509279","7.4783","0.0009","11.7306","0.0013","14.2792","0.0016","87.677","0.002","77.937","0.002","83.687","0.002","1217.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Aminopyridinium 4-hydroxybenzoate hydrate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","2","","Sarma, Bipul; Nath, Naba K.; Bhogala, Balakrishna R.; Nangia, Ashwini","Synthon Competition and Cooperation in Molecular Salts of Hydroxybenzoic Acids and Aminopyridines","Crystal Growth & Design","2009","9","3","1546","","10.1021/cg801145c","","","0.71073","MoKα","","0.0582","0.0468","","","0.1174","0.1255","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509280","26.4815","0.0011","26.4815","0.0011","13.5552","0.0004","90","","90","","90","","9505.9","0.6","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C30 H34 N20 O22 Re2 U -","- C30 H30 N20 O22 Re2 U -","- C240 H240 N160 O176 Re16 U8 -","8","1","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0686","0.0616","","","0.1658","0.1714","","","","","","1.031","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509281","24.9329","0.0012","13.6596","0.0004","29.1489","0.0014","90","","102.623","0.002","90","","9687.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 K N25 O30 U2 -","- C30 H30 K N25 O30 U2 -","- C240 H240 K8 N200 O240 U16 -","8","1","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0615","0.0477","","","0.1345","0.1407","","","","","","1.045","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509282","25.1403","0.001","13.794","0.0006","29.0665","0.0014","90","","102.188","0.003","90","","9852.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Cs2 N50 O60 U4 -","- C60 H60 Cs2 N50 O60 U4 -","- C240 H240 Cs8 N200 O240 U16 -","4","0.5","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0817","0.061","","","0.1725","0.181","","","","","","1.037","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509283","11.2911","0.0005","14.2734","0.001","17.7435","0.0012","90","","97.141","0.004","90","","2837.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H54 K2 N20 O37 U4 -","- C32 H40 K2 N20 O37 U4 -","- C64 H80 K4 N40 O74 U8 -","2","0.5","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0506","0.0285","","","0.064","0.0699","","","","","","1.034","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509284","11.408","0.001","35.106","0.0015","14.3493","0.0012","90","","90","","90","","5746.7","0.7","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C32 H50 Cs2 N20 O35 U4 -","- C32 H40 Cs2 N20 O35 U4 -","- C128 H160 Cs8 N80 O140 U16 -","4","0.5","","Thuéry, Pierre","Uranyl Ion Complexes with Cucurbit[5]uril: from Molecular Capsules to Uranyl-Organic Frameworks","Crystal Growth & Design","2009","9","2","1208","1215","10.1021/cg8011603","","","0.71073","MoKα","","0.0792","0.0417","","","0.0998","0.1103","","","","","","1.026","","","","has coordinates,has disorder","179628","2020-10-21","18:00:00",""
"4509285","22.787","0.005","10.59","0.002","27.675","0.005","90","","107.79","0.03","90","","6359","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Co6 N2 O27 -","- C52 H42 Co6 N2 O27 -","- C208 H168 Co24 N8 O108 -","4","1","","Luo, Feng; Zheng, Ji-min; Long, Gary J.","Unique Anionic Eight-Connected Net with 36418536 Topology Derived from a Rare Co6(μ3-OH)2(μ-H2O)(CO2)12Building Block","Crystal Growth & Design","2009","9","3","1271","","10.1021/cg801164f","","x-ray","0.71073","MoKα","","0.1398","0.0887","","","0.2353","0.2763","","","","","","0.928","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509286","13.549","0.004","16.35","0.006","39.69","0.015","90","","90","","90","","8792","5","203","2","203","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H39 Co N6 O9 -","- C48 H33 Co N6 O9 -","- C384 H264 Co8 N48 O72 -","8","0.5","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.1182","0.0574","","","0.1566","0.174","","","","","","0.89","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509287","18.9386","0.0006","20.1206","0.0007","23.2877","0.0008","90","","98.112","0.001","90","","8785.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 Co N9 -","- C55 H38 Co N9 -","- C440 H304 Co8 N72 -","8","2","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.1249","0.0629","","","0.1363","0.1631","","","","","","0.984","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509288","33.1442","0.0011","9.9036","0.0003","28.9106","0.001","90","","120.359","0.001","90","","8188.5","0.5","203","2","203","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H33 Co N10 -","- C50 H33 Co N10 -","- C400 H264 Co8 N80 -","8","1","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.0361","0.0328","","","0.0943","0.0959","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509289","16.8939","0.0008","31.7723","0.0015","8.2865","0.0004","90","","90","","90","","4447.8","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 2","P 2 2ab","18","","","","- C48 H30 Co N9 -","- C48 H30 Co N9 -","- C192 H120 Co4 N36 -","4","1","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.098","0.0534","","","0.1616","0.1783","","","","","","1.001","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509290","9.4931","0.0007","20.1204","0.0015","20.7927","0.0016","117.608","0.003","91.589","0.003","92.591","0.003","3510.4","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H70 Co N21 O5.5 S3.5 -","- C62.5 H69 Co N21 O5.5 S3.5 -","- C125 H138 Co2 N42 O11 S7 -","2","1","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.086","0.0819","","","0.2374","0.2434","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509291","15.5669","0.0005","17.604","0.0006","15.792","0.0005","90","","102.71","0.001","90","","4221.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H32 Br3 Cl2 Co N6 -","- C46 H30 Br3 Cl2 Co N6 -","- C184 H120 Br12 Cl8 Co4 N24 -","4","1","","Telfer, Shane G.; Wuest, James D.","Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes","Crystal Growth & Design","2009","9","4","1923","","10.1021/cg8011734","","","1.54178","CuKα","","0.0736","0.0522","","","0.1458","0.1589","","","","","","1.086","","","","has coordinates,has disorder","179628","2020-10-21","18:00:00",""
"4509292","14.771","0.003","7.0212","0.0014","16.209","0.003","90","","117.194","0.003","90","","1495.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C60 H64 N16 O20 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.062","0.0573","","","0.1391","0.1422","","","","","","1.169","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509293","7.687","0.003","6.948","0.003","28.098","0.011","90","","95.029","0.007","90","","1494.9","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C60 H64 N16 O20 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.0679","0.0636","","","0.144","0.1464","","","","","","1.2","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509294","7.421","0.005","22.494","0.015","12.939","0.009","90","","92.242","0.012","90","","2158","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O8 -","- C22 H22 N4 O8 -","- C88 H88 N16 O32 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.1072","0.0924","","","0.1857","0.1938","","","","","","1.244","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509295","9.938","0.004","16.537","0.006","14.758","0.006","90","","101.096","0.006","90","","2380.1","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N8 O7 -","- C23 H26 N8 O7 -","- C92 H104 N32 O28 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.0525","0.0446","","","0.1235","0.1298","","","","","","1.077","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509296","6.657","0.004","8.796","0.005","15.67","0.009","77.832","0.009","83.426","0.009","71.568","0.009","849.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N4 O7 -","- C15 H16 N4 O7 -","- C30 H32 N8 O14 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.1302","0.1064","","","0.3082","0.3303","","","","","","1.253","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509297","7.201","0.003","8.62","0.004","13.822","0.006","90.258","0.007","101.078","0.007","106.517","0.007","805.6","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.136","0.1092","","","0.2107","0.2227","","","","","","1.291","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509298","15.703","0.006","6.818","0.003","16.215","0.006","90","","117.349","0.005","90","","1542","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.1191","0.1052","","","0.2073","0.214","","","","","","1.344","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509299","7.015","0.002","7.693","0.002","30.319","0.009","90","","90.594","0.005","90","","1636.1","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C60 H72 N16 O28 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; MacGillivray, Leonard R.; Zhang, Geoff G. Z.","Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization","Crystal Growth & Design","2009","9","4","1932","","10.1021/cg801178m","","","0.71073","MoKα","","0.0627","0.0569","","","0.1436","0.1483","","","","","","1.124","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509300","30.1922","0.0009","30.1922","0.0009","8.6557","0.0003","90","","90","","90","","7890.3","0.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H14 F2 N6 O5 Zn -","- C16 H14 F2 N6 O5 Zn -","- C256 H224 F32 N96 O80 Zn16 -","16","1","","Ling, Yun; Zhang, Lei; Li, Jing; Hu, Ai Xi","Three-fold-Interpenetrated Diamondoid Coordination Frameworks with Torus Links Constructed by Tetranuclear Building Blocks","Crystal Growth & Design","2009","9","5","2043","","10.1021/cg801188r","","","0.71073","MoKα","","0.0538","0.0324","","","0.0742","0.0816","","","","","","1.033","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509301","30.0837","0.0016","30.0837","0.0016","8.667","0.0009","90","","90","","90","","7843.9","1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H14 Cu F2 N6 O5 -","- C16 H14 Cu F2 N6 O5 -","- C256 H224 Cu16 F32 N96 O80 -","16","1","","Ling, Yun; Zhang, Lei; Li, Jing; Hu, Ai Xi","Three-fold-Interpenetrated Diamondoid Coordination Frameworks with Torus Links Constructed by Tetranuclear Building Blocks","Crystal Growth & Design","2009","9","5","2043","","10.1021/cg801188r","","","0.71073","MoKα","","0.0339","0.0274","","","0.0714","0.0743","","","","","","1.044","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509302","18.9979","0.0011","17.8507","0.0011","15.5853","0.0008","90","","119.062","0.004","90","","4619.9","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H68 Cu2 N14 O6 Ru -","- C30 H56 Cu2 N14 O6 Ru -","- C120 H224 Cu8 N56 O24 Ru4 -","4","1","","Sereda, Olha; Stoeckli-Evans, Helen; Dolomanov, Oleg; Filinchuk, Yaroslav; Pattison, Phil","Transformation of a Chiral Nanoporous Bimetallic Cyano-Bridged Framework Triggered by Dehydration/Rehydration","Crystal Growth & Design","2009","9","7","3168","","10.1021/cg801193r","","","0.71073","MoKα","","0.0755","0.0707","","","0.2075","0.2153","","","","","","1.062","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509303","13.7183","0.0008","21.3378","0.0012","24.4177","0.0013","68.715","0.004","78.284","0.004","73.004","0.005","6331.3","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C180 H388 Cu12 N84 O26 Ru6 -","- C180 H336 Cu12 N84 O26 Ru6 -","- C180 H336 Cu12 N84 O26 Ru6 -","1","1","","Sereda, Olha; Stoeckli-Evans, Helen; Dolomanov, Oleg; Filinchuk, Yaroslav; Pattison, Phil","Transformation of a Chiral Nanoporous Bimetallic Cyano-Bridged Framework Triggered by Dehydration/Rehydration","Crystal Growth & Design","2009","9","7","3168","","10.1021/cg801193r","","","0.71073","MoKα","","0.0756","0.0446","","","0.0785","0.0873","","","","","","0.935","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509304","5.9567","0.0012","20.497","0.004","10.18","0.002","90","","98.4","0.03","90","","1229.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu3 N4 O10 -","- C24 H18 Cu3 N4 O10 -","- C48 H36 Cu6 N8 O20 -","2","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Highly Rare Ferromagnetic Interaction with the Cu(tetrahedron)-Cu(square)-Cu(tetrahedron) Mode Observed in A 2-Fold Interpenetrating Moganite Net","Crystal Growth & Design","2009","9","5","2047","","10.1021/cg801208z","","x-ray","0.71073","MoKα","","0.047","0.0379","","","0.101","0.1165","","","","","","1.119","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509305","11.102","","12.821","","14.859","","98.63","","90.96","","95.45","","2080.58","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H50 Cl6 Mo12 N12 O40 P -","- C60 H48 Cl6 Mo12 N12 O40 P -","- C60 H48 Cl6 Mo12 N12 O40 P -","1","0.5","","Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen","Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation","Crystal Growth & Design","2009","9","2","1225","","10.1021/cg8012206","","","0.71073","MoKα","","0.0637","0.0497","","","0.1089","0.1185","","","","","","1.099","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509306","21.22","0.004","15.343","0.003","24.707","0.005","90","","109.23","0.03","90","","7595","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H28.4 Cl3 Mo12 N6 O42.2 P -","- C30 H21 Cl3 Mo12 N6 O42.2 P -","- C120 H84 Cl12 Mo48 N24 O168.8 P4 -","4","0.5","","Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen","Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation","Crystal Growth & Design","2009","9","2","1225","","10.1021/cg8012206","","","0.71073","MoKα","","0.0782","0.0571","","","0.1596","0.1741","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509307","17.232","0.003","14.044","0.002","17.366","0.003","90","","116.489","0.002","90","","3761.5","1.1","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Br2 Cl2 Mo12 N8 O42 P -","- C52 H36 Br2 Cl2 Mo12 N8 O42 P -","- C104 H72 Br4 Cl4 Mo24 N16 O84 P2 -","2","0.5","","Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen","Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation","Crystal Growth & Design","2009","9","2","1225","","10.1021/cg8012206","","","0.71073","MoKα","","0.069","0.0469","","","0.1097","0.119","","","","","","1.02","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509308","20.106","0.003","15.735","0.002","19.951","0.003","90","","100.513","0.002","90","","6205.9","1.5","293","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br Cl2 Mo12 N6 O41 P -","- C36 H28 Br Cl2 Mo12 N6 O41 P -","- C144 H112 Br4 Cl8 Mo48 N24 O164 P4 -","4","1","","Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen","Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation","Crystal Growth & Design","2009","9","2","1225","","10.1021/cg8012206","","","0.71073","MoKα","","0.0462","0.0312","","","0.07","0.0764","","","","","","0.991","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509309","9.872","0.002","14.4","0.003","15.772","0.003","87.67","0.03","72.14","0.03","79.24","0.03","2096.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Br4 Ge N8 O43 W12 -","- C64 H44 Br4 Ge N8 O43 W12 -","- C64 H44 Br4 Ge N8 O43 W12 -","1","0.5","","Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen","Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation","Crystal Growth & Design","2009","9","2","1225","","10.1021/cg8012206","","","0.71073","MoKα","","0.0765","0.0633","","","0.1367","0.1425","","","","","","1.039","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509310","11.0837","0.0011","11.4055","0.0011","16.9747","0.0016","89.153","0.002","73.226","0.002","62.907","0.001","1811.9","0.3","293","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H48 Br4 Mo8 N8 O26 -","- C64 H48 Br4 Mo8 N8 O26 -","- C64 H48 Br4 Mo8 N8 O26 -","1","0.5","","Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen","Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation","Crystal Growth & Design","2009","9","2","1225","","10.1021/cg8012206","","","0.71073","MoKα","","0.0665","0.0595","","","0.1649","0.1716","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509311","14.962","0.003","17.57","0.004","32.825","0.007","80.48","0.03","81.48","0.03","65.07","0.03","7688","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H93 Br7 N14 O67 P2 W18 -","- C112 H77 Br7 N14 O67 P2 W18 -","- C224 H154 Br14 N28 O134 P4 W36 -","2","1","","Han, Zhangang; Gao, Yuanzhe; Zhai, Xueliang; Peng, Jun; Tian, Aixiang; Zhao, Yulong; Hu, Changwen","Self-Process-Programmed Structural Diversity in Supramolecular Assembly Based on Polyoxometalate Anion and Halogensubstituted Bipyridine Cation","Crystal Growth & Design","2009","9","2","1225","","10.1021/cg8012206","","","0.71073","MoKα","","0.101","0.0566","","","0.1279","0.1533","","","","","","1.081","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509312","13.2862","0.0008","7.9802","0.0004","14.7299","0.0012","90","","109.959","0.002","90","","1467.96","0.17","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 N2 O8 -","- C15 H12 N2 O8 -","- C60 H48 N8 O32 -","4","1","","Chadwick, Keith; Sadiq, Ghazala; Davey, Roger J.; Seaton, Colin C.; Pritchard, Robin G.; Parkin, Andrew","Designing Acid Acid Co-Crystals−The Use of Hammett Substitution Constants","Crystal Growth & Design","2009","9","3","1278","","10.1021/cg801225s","","x-ray","0.71073","MoKα","","0.2208","0.0947","","","0.1947","0.2634","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509313","6.918","0.002","20.663","0.007","21.301","0.006","90","","90","","90","","3044.9","1.6","293","","293","","","","","","","","","4","F d 2 d","F -2d -2d","43","","4-aminobenzoic acid 3,5-dinitrobenzoic acid","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C112 H88 N24 O64 -","8","0.5","","Chadwick, Keith; Sadiq, Ghazala; Davey, Roger J.; Seaton, Colin C.; Pritchard, Robin G.; Parkin, Andrew","Designing Acid Acid Co-Crystals−The Use of Hammett Substitution Constants","Crystal Growth & Design","2009","9","3","1278","","10.1021/cg801225s","","","0.71073","MoKα","","0.0234","0.0219","","0.0566","0.0561","0.0566","","","","","","0.8597","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509314","7.4406","0.0004","7.4008","0.0004","24.5392","0.0016","90","","99.012","0.002","90","","1334.6","0.13","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4-aminobenzoic acid 4-cyanobenzoic acid","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C60 H48 N8 O16 -","4","1","","Chadwick, Keith; Sadiq, Ghazala; Davey, Roger J.; Seaton, Colin C.; Pritchard, Robin G.; Parkin, Andrew","Designing Acid Acid Co-Crystals−The Use of Hammett Substitution Constants","Crystal Growth & Design","2009","9","3","1278","","10.1021/cg801225s","","x-ray","0.71073","MoKα","","0.3136","0.1134","","","0.2263","0.2959","","","","","","1.227","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509315","26.0108","0.0008","14.1312","0.0013","17.4098","0.001","90","","90","","90","","6399.2","0.7","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C32 H30 Ag F3 N8 O4 S -","- C32 H26 Ag F3 N8 O4 S -","- C256 H208 Ag8 F24 N64 O32 S8 -","8","","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0735","0.0584","","","0.1729","0.1826","","","","","","0.999","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509316","10.0555","0.0007","10.2469","0.0007","11.4333","0.001","89.924","0.006","79.294","0.007","71.349","0.006","1094.63","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Ag N4 O4 S -","- C23 H20 Ag N4 O4 S -","- C46 H40 Ag2 N8 O8 S2 -","2","1","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0764","0.0522","","","0.1223","0.1338","","","","","","0.995","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509317","10.6758","0.001","16.869","0.002","22.869","0.004","90","","91.423","0.015","90","","4117.2","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Cl9 Hg3 N8 -","- C31 H26 Cl9 Hg3 N8 -","- C124 H104 Cl36 Hg12 N32 -","4","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0491","0.031","","","0.0616","0.0645","","","","","","1.004","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509318","10.7028","0.0004","11.8825","0.0005","24.0332","0.0008","90","","95.516","0.003","90","","3042.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Br2 Hg N8 -","- C30 H26 Br2 Hg N8 -","- C120 H104 Br8 Hg4 N32 -","4","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0505","0.0319","","","0.0371","0.0392","","","","","","1.008","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509319","30.954","0.004","14.903","0.0016","8.2254","0.0011","90","","101.921","0.015","90","","3712.6","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Cd N8 O6.5 -","- C34 H32 Cd N8 O6.5 -","- C136 H128 Cd4 N32 O26 -","4","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","1.54178","CuKα","","0.0798","0.0687","","","0.1856","0.1942","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509320","10.6162","0.0006","11.8325","0.0007","25.1063","0.0012","90","","95.33","0.005","90","","3140.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cd I2 N8 -","- C30 H26 Cd I2 N8 -","- C120 H104 Cd4 I8 N32 -","4","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0658","0.0474","","","0.1504","0.1553","","","","","","1","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509321","9.2957","0.0006","9.9701","0.0007","11.3392","0.0009","98.161","0.007","113.771","0.007","102.892","0.006","905.28","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Cl2 Mn N8 O14 -","- C30 H38 Cl2 Mn N8 O14 -","- C30 H38 Cl2 Mn N8 O14 -","1","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0629","0.0449","","","0.1116","0.1155","","","","","","1.051","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509322","9.3626","0.0009","15.63","0.004","15.676","0.003","64.64","0.02","87.074","0.012","89.364","0.012","2070.1","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Mn N8 O6 S2 -","- C44 H40 Mn N8 O6 S2 -","- C88 H80 Mn2 N16 O12 S4 -","2","1","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","1.54178","CuKα","","0.0903","0.0668","","","0.1747","0.1861","","","","","","1.003","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509323","8.8164","0.0004","13.2123","0.0006","14.72","0.0007","104.376","0.004","93.688","0.004","94.986","0.004","1648.11","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H62 F6 N18 O8 S2 Zn -","- C66 H62 F6 N18 O8 S2 Zn -","- C66 H62 F6 N18 O8 S2 Zn -","1","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0757","0.0456","","","0.1158","0.1285","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509324","8.581","0.0003","26.8527","0.0009","16.1384","0.0005","90","","103.044","0.004","90","","3622.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H82 N16 O10 S2 Zn -","- C78 H82 N16 O10 S2 Zn -","- C156 H164 N32 O20 S4 Zn2 -","2","0.5","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0661","0.0401","","","0.1055","0.1125","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509325","7.1271","0.0007","10.2782","0.001","18.0061","0.0017","90","","90","","90","","1319","0.2","273","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H23 N3 O9 P2 -","- C4 H23 N3 O9 P2 -","- C16 H92 N12 O36 P8 -","4","1","","Chen, Shuo-ping; Pan, Ling-ling; Yuan, Yi-xuan; Shi, Xi-xi; Yuan, Liang-jie","A Novel Supramolecular Resin Based On an Organic Acid−Base Compound","Crystal Growth & Design","2009","9","6","2668","","10.1021/cg801233x","","","0.71073","MoKα","","0.0485","0.0448","","","0.1193","0.1242","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509326","5.6469","0.0016","9.008","0.003","13.229","0.004","97.626","0.004","99.857","0.005","101.154","0.004","640.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H23 N3 O9 P2 -","- C4 H23 N3 O9 P2 -","- C8 H46 N6 O18 P4 -","2","1","","Chen, Shuo-ping; Pan, Ling-ling; Yuan, Yi-xuan; Shi, Xi-xi; Yuan, Liang-jie","A Novel Supramolecular Resin Based On an Organic Acid−Base Compound","Crystal Growth & Design","2009","9","6","2668","","10.1021/cg801233x","","","0.71073","MoKα","","0.0293","0.0284","","","0.0836","0.0847","","","","","","1.164","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509327","7.563","0.0013","10.0792","0.0015","13.163","0.002","69.37","0.006","81.226","0.007","69.133","0.005","877","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 Co2 N6 O15 S2 -","- C26 H36 Co2 N6 O15 S2 -","- C26 H36 Co2 N6 O15 S2 -","1","1","","Huang, Fu-Ping; Li, Hai-Ye; Tian, Jin-Lei; Gu, Wen; Jiang, Yi-Min; Yan, Shi-Ping; Liao, Dai-Zheng","A Three-Dimensional (42.84)-lvt Topology and a Two-Dimensional Brick-Wall Network: Two Pillared Supramolecular Isomers Exploring the Use ofl-Cysteic Acid to Engineer Porous Frameworks","Crystal Growth & Design","2009","9","7","3191","","10.1021/cg801243a","","","0.71073","MoKα","","0.0263","0.0252","","","0.0639","0.0645","","","","","","1.009","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509328","19.244","0.003","18.468","0.003","19.444","0.003","90","","90","","90","","6910.4","1.9","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Co2 N6 O15 S2 -","- C26 H36 Co2 N6 O15 S2 -","- C208 H288 Co16 N48 O120 S16 -","8","1","","Huang, Fu-Ping; Li, Hai-Ye; Tian, Jin-Lei; Gu, Wen; Jiang, Yi-Min; Yan, Shi-Ping; Liao, Dai-Zheng","A Three-Dimensional (42.84)-lvt Topology and a Two-Dimensional Brick-Wall Network: Two Pillared Supramolecular Isomers Exploring the Use ofl-Cysteic Acid to Engineer Porous Frameworks","Crystal Growth & Design","2009","9","7","3191","","10.1021/cg801243a","","","0.71073","MoKα","","0.1726","0.0697","","","0.1593","0.2188","","","","","","1.014","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509329","10.6034","0.0017","19.277","0.003","20.049","0.003","90","","104.838","0.003","90","","3961.4","1.1","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H56 Cl4 Co2 N16 O16 -","- C80 H56 Cl4 Co2 N16 O16 -","- C160 H112 Cl8 Co4 N32 O32 -","2","0.25","","Li, Zuo-Xi; Xu, Yao; Zuo, Yi; Li, Lei; Pan, Qinhe; Hu, Tong-Liang; Bu, Xian-He","Varying Ligand Backbones for Modulating the Interpenetration of Coordination Polymers Based on Homoleptic Cobalt(II) Nodes","Crystal Growth & Design","2009","9","9","3904","","10.1021/cg801250g","","","0.71073","MoKα","","0.1111","0.0712","","","0.1917","0.2311","","","","","","1.018","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509330","8.096","0.0016","21.507","0.004","13.935","0.005","90","","111.81","0.03","90","","2252.7","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl8 Co N12 O8 -","- C38 H32 Cl8 Co N12 O8 -","- C76 H64 Cl16 Co2 N24 O16 -","2","0.5","","Li, Zuo-Xi; Xu, Yao; Zuo, Yi; Li, Lei; Pan, Qinhe; Hu, Tong-Liang; Bu, Xian-He","Varying Ligand Backbones for Modulating the Interpenetration of Coordination Polymers Based on Homoleptic Cobalt(II) Nodes","Crystal Growth & Design","2009","9","9","3904","","10.1021/cg801250g","","","0.71073","MoKα","","0.0419","0.0393","","","0.0879","0.0896","","","","","","1.064","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509331","18.711","0.004","17.937","0.004","19.217","0.004","90","","117.06","0.03","90","","5744","3","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Cl2 Co N12 O8 -","- C54 H42 Cl2 Co N12 O8 -","- C216 H168 Cl8 Co4 N48 O32 -","4","1","","Li, Zuo-Xi; Xu, Yao; Zuo, Yi; Li, Lei; Pan, Qinhe; Hu, Tong-Liang; Bu, Xian-He","Varying Ligand Backbones for Modulating the Interpenetration of Coordination Polymers Based on Homoleptic Cobalt(II) Nodes","Crystal Growth & Design","2009","9","9","3904","","10.1021/cg801250g","","","0.71073","MoKα","","0.1332","0.0949","","","0.1951","0.2171","","","","","","1.098","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509332","14.371","0.003","14.218","0.003","17.119","0.004","90","","93.107","0.013","90","","3492.7","1.3","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H39 Ag N8 O4 -","- C36 H39 Ag N8 O4 -","- C144 H156 Ag4 N32 O16 -","4","0.5","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.0463","0.0345","","","0.0908","0.0971","","","","","","1.035","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509333","20.9587","0.0006","20.9587","0.0006","47.752","0.003","90","","90","","120","","18165.6","1.4","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C36 H38 Ag N8 O5.33 -","- C36 H38 Ag N8 O5.33333 -","- C648 H684 Ag18 N144 O96 -","18","0.5","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.0549","0.0443","","","0.1581","0.1711","","","","","","1.153","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509334","15.04","0.007","22.925","0.007","16.887","0.006","90","","112.68","0.02","90","","5372","4","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Ag Cl N8 O8.5 -","- C36 H38 Ag Cl N8 O8.5 -","- C144 H152 Ag4 Cl4 N32 O34 -","4","0.5","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.15","0.0711","","","0.2297","0.2769","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509335","11.865","0.002","14.349","0.003","24.268","0.005","90","","95.609","0.009","90","","4111.9","1.4","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Ag N9 O9 -","- C36 H38 Ag N9 O9 -","- C144 H152 Ag4 N36 O36 -","4","1","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.0976","0.0779","","","0.2058","0.2351","","","","","","1.125","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509336","41.151","0.002","11.2074","0.0006","26.9455","0.0016","90","","120.3","0.003","90","","10729.5","1.1","240","2","240","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H62 Ag F6 N8 O7 Sb -","- C48 H62 Ag F6 N8 O7 Sb -","- C384 H496 Ag8 F48 N64 O56 Sb8 -","8","1","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.1439","0.0631","","","0.16","0.1984","","","","","","1.023","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509337","40.388","0.009","11.245","0.002","25.791","0.006","90","","118.9","0.019","90","","10255","4","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H62 Ag Cl N8 O11 -","- C48 H62 Ag Cl N8 O11 -","- C384 H496 Ag8 Cl8 N64 O88 -","8","1","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.0937","0.0552","","","0.1366","0.1631","","","","","","1.025","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509338","10.1023","0.0008","10.976","0.0009","11.3498","0.0009","107.631","0.004","90.375","0.005","92.876","0.005","1197.56","0.17","240","2","240","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Ag B F4 N5 O2 -","- C20 H22 Ag B F4 N5 O2 -","- C40 H44 Ag2 B2 F8 N10 O4 -","2","1","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.049","0.0396","","","0.1072","0.1155","","","","","","1.029","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509339","11.079","0.0012","25.098","0.003","13.4274","0.0015","90","","92.846","0.004","90","","3729","0.7","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Ag2 N8 O6 -","- C36 H38 Ag2 N8 O6 -","- C144 H152 Ag8 N32 O24 -","4","1","","Santillan, Guillermo A.; Carrano, Carl J.","Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands","Crystal Growth & Design","2009","9","3","1590","","10.1021/cg801256h","","","0.71073","MoKα","","0.082","0.0683","","","0.1744","0.1845","","","","","","1.116","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509340","10.445","0.003","13.63","0.004","14.767","0.004","90","","91.902","0.005","90","","2101.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 N2 O6 S -","- C18 H30 N2 O6 S -","- C72 H120 N8 O24 S4 -","4","1","","Wishkerman, Sara; Bernstein, Joel; Hickey, Magali B.","Crystal Engineering with Cocrystals of Benzo-[18]Crown-6 and Urea and Thiourea Derivatives","Crystal Growth & Design","2009","9","7","3204","","10.1021/cg801261h","","","0.71073","MoKα","","0.0616","0.0404","","","0.1273","0.1647","","","","","","0.697","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509341","8.7791","0.0014","9.6377","0.0015","14.763","0.002","85.584","0.003","89.269","0.003","65.187","0.002","1130.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N2 O7 -","- C22 H30 N2 O7 -","- C44 H60 N4 O14 -","2","1","","Wishkerman, Sara; Bernstein, Joel; Hickey, Magali B.","Crystal Engineering with Cocrystals of Benzo-[18]Crown-6 and Urea and Thiourea Derivatives","Crystal Growth & Design","2009","9","7","3204","","10.1021/cg801261h","","","0.71073","MoKα","","0.1058","0.044","","","0.1043","0.1261","","","","","","0.742","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509342","8.0391","0.0015","10.988","0.002","39.944","0.007","90","","90","","90","","3528.4","1.1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.57 H27.43 N6.86 O6.86 -","- C12.5714 H27.4286 N6.85714 O6.85714 -","- C88 H192 N48 O48 -","7","1.75","","Wishkerman, Sara; Bernstein, Joel; Hickey, Magali B.","Crystal Engineering with Cocrystals of Benzo-[18]Crown-6 and Urea and Thiourea Derivatives","Crystal Growth & Design","2009","9","7","3204","","10.1021/cg801261h","","","0.71073","MoKα","","0.0884","0.0428","","","0.1027","0.1225","","","","","","0.995","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509343","10.854","0.006","9.211","0.005","30.931","0.018","90","","96.404","0.012","90","","3073","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13.33 H25.33 N5.33 O4 S2.67 -","- C13.3333 H25.3333 N5.33333 O4 S2.66667 -","- C80 H152 N32 O24 S16 -","6","1.5","","Wishkerman, Sara; Bernstein, Joel; Hickey, Magali B.","Crystal Engineering with Cocrystals of Benzo-[18]Crown-6 and Urea and Thiourea Derivatives","Crystal Growth & Design","2009","9","7","3204","","10.1021/cg801261h","","","0.71073","MoKα","","0.1771","0.0912","","","0.2321","0.2709","","","","","","1.059","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509344","8.416","0.003","20.018","0.008","11.764","0.005","90","","99.213","0.008","90","","1956.3","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H28 N2 O6 S -","- C17 H28 N2 O6 S -","- C68 H112 N8 O24 S4 -","4","2","","Wishkerman, Sara; Bernstein, Joel; Hickey, Magali B.","Crystal Engineering with Cocrystals of Benzo-[18]Crown-6 and Urea and Thiourea Derivatives","Crystal Growth & Design","2009","9","7","3204","","10.1021/cg801261h","","","0.71073","MoKα","","0.1403","0.0377","","","0.0641","0.0769","","","","","","0.696","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509345","4.19","0.001","4.19","0.001","6.727","0.003","90","","90","","90","","118.1","0.07","298","2","298","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Co Ga5 Yb -","- Co Ga5 Yb -","- Co Ga5 Yb -","1","0.0625","","Okudzeto, Edem K.; Kuga, Kentarou; Nakatsuji, Satoru; Chan, Julia Y.","Crystal Growth, Transport, and Magnetic Properties of YbCoGa5","Crystal Growth & Design","2009","9","4","1956","","10.1021/cg801266q","","","0.71073","MoKα","","0.0201","0.0194","","","0.053","0.053","","","","","","1.345","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509346","16.6367","0.0016","16.6367","0.0016","24.779","0.003","90","","90","","90","","6858.3","1.2","120","2","120","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C68 H40 Co2 Fe N9 O11 -","- C68 H40 Co2 Fe N9.04 O11.12 -","- C136 H80 Co4 Fe2 N18.08 O22.24 -","2","0.0625","","Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins","Crystal Growth & Design","2009","9","4","1960","","10.1021/cg801267m","","","0.71073","MoKα","","0.0676","0.0627","","","0.2021","0.2079","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509347","16.6905","0.0012","16.6905","0.0012","25.466","0.004","90","","90","","90","","7094.1","1.3","100","2","100","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C68 H40 Co2 Mn N9 O11 -","- C68 H40 Co2 Mn N8.96 O11.04 -","- C136 H80 Co4 Mn2 N17.92 O22.08 -","2","0.0625","","Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins","Crystal Growth & Design","2009","9","4","1960","","10.1021/cg801267m","","","0.71073","MoKα","","0.1199","0.0967","","","0.2416","0.2596","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509348","16.6901","0.0004","16.6901","0.0004","14.0567","0.0007","90","","90","","90","","3915.6","0.2","297","2","297","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","1","0.0625","","Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins","Crystal Growth & Design","2009","9","4","1960","","10.1021/cg801267m","","","0.71073","MoKα","","0.0403","0.0358","","","0.0893","0.0916","","","","","","1.065","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509349","16.6609","0.0011","16.6609","0.0011","25.688","0.002","90","","90","","90","","7130.6","0.9","120","2","120","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C68 H40 Mn N9 O11 Zn2 -","- C68 H40 Mn N9.04 O11.12 Zn2 -","- C136 H80 Mn2 N18.08 O22.24 Zn4 -","2","0.0625","","Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins","Crystal Growth & Design","2009","9","4","1960","","10.1021/cg801267m","","","0.71073","MoKα","","0.0926","0.0811","","","0.2219","0.2368","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509350","16.6334","0.0002","16.6334","0.0002","25.0762","0.0004","90","","90","","90","","6937.83","0.16","120","2","120","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C68 H40 Fe N9 O11 Zn2 -","- C68 H40 Fe N9.04 O11.12 Zn2 -","- C136 H80 Fe2 N18.08 O22.24 Zn4 -","2","0.0625","","Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins","Crystal Growth & Design","2009","9","4","1960","","10.1021/cg801267m","","","0.71073","MoKα","","0.0664","0.0594","","","0.1806","0.1887","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509351","16.6544","0.0004","16.6544","0.0004","14.0525","0.0007","90","","90","","90","","3897.7","0.2","296","2","296","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C58 H32 N6 Ni O8 Zn2 -","- C58 H32 N6 Ni O8 Zn2 -","- C58 H32 N6 Ni O8 Zn2 -","1","0.0625","","Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins","Crystal Growth & Design","2009","9","4","1960","","10.1021/cg801267m","","","0.71073","MoKα","","0.0344","0.0308","","","0.0878","0.0901","","","","","","1.053","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509352","16.7088","0.0006","16.7088","0.0006","13.9151","0.0007","90","","90","","90","","3884.9","0.3","296","2","296","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C58 H32 Co2 N6 O8 Pt -","- C58 H32 Co2 N6 O8 Pt -","- C58 H32 Co2 N6 O8 Pt -","1","0.0625","","Barron, Paul M.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Highly Tunable Heterometallic Frameworks Constructed from Paddle-Wheel Units and Metalloporphyrins","Crystal Growth & Design","2009","9","4","1960","","10.1021/cg801267m","","","0.71073","MoKα","","0.0209","0.0175","","","0.0432","0.044","","","","","","1.025","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509353","10.6313","0.0012","9.5834","0.001","18.827","0.002","90","","102.538","0.002","90","","1872.4","0.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-((μ~2~-hydrogen-benzene-1,4-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-silver(i))","","- C18 H19 Ag N4 O4 -","- C18 H19 Ag N4 O4 -","- C72 H76 Ag4 N16 O16 -","4","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.043","0.0369","","","0.0638","0.0656","","","","","","1.209","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509354","14.1713","0.0012","16.6592","0.0014","12.4549","0.0009","90","","108.035","0.009","90","","2795.9","0.4","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(μ~4~-benzene-1,4-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-di-zinc(ii))","","- C13 H11 N2 O4 Zn -","- C13 H11 N2 O4 Zn -","- C104 H88 N16 O32 Zn8 -","8","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0412","0.0244","","","0.049","0.0497","","","","","","0.877","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509355","10.4707","0.0007","19.842","0.002","8.8702","0.0008","90","","103.723","0.009","90","","1790.3","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-((μ~2~-acetato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-acetato-aqua-cadmium(ii))","","- C14 H22 Cd N4 O5 -","- C14 H22 Cd N4 O5 -","- C56 H88 Cd4 N16 O20 -","4","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0259","0.0209","","","0.0507","0.0541","","","","","","0.945","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509356","31.7","0.002","8.9406","0.0005","21.5253","0.0018","90","","93.35","0.01","90","","6090.2","0.7","213","1","213","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-((μ~2~-benzene-1,3-dicarboxylato)-bis(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-di-silver(i))","","- C28 H32 Ag2 N8 O4 -","- C28 H32 Ag2 N8 O4 -","- C224 H256 Ag16 N64 O32 -","8","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0436","0.0323","","","0.0841","0.0864","","","","","","0.868","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509357","8.8317","0.0003","13.4885","0.0005","16.2387","0.0008","90","","90","","90","","1934.46","0.14","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((μ~2~-benzene-1,3-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-zinc(ii))","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0317","0.0266","","","0.0527","0.0535","","","","","","0.945","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509358","9.6017","0.0004","10.2022","0.0004","19.991","0.001","90","","98.785","0.004","90","","1935.31","0.15","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-((μ~3~-benzene-1,3-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-cadmium(ii) monohydrate)","","- C18 H20 Cd N4 O5 -","- C18 H20 Cd N4 O5 -","- C72 H80 Cd4 N16 O20 -","4","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0223","0.0184","","","0.0676","0.0686","","","","","","1.177","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509359","34.5676","0.0012","34.5676","0.0012","10.3008","0.0004","90","","90","","90","","12308.6","0.8","100","1","100","1","","","","","","","","5","I 41/a :2","-I 4ad","88","","catena-((μ~2~-3,3',5,5'-tetramethyl-4,4'-bipyrazole)-(3,3',5,5'- tetramethyl-4,4'-bipyrazole)-acetato-silver(i) hydrate)","","- C22 H36.925 Ag N8 O7.305 -","- C22 H36.926 Ag N8 O7.3035 -","- C352 H590.816 Ag16 N128 O116.856 -","16","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0651","0.0331","","","0.0628","0.0678","","","","","","0.813","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509360","13.9736","0.0015","21.3073","0.0016","27.066","0.003","90","","100.549","0.013","90","","7922.4","1.4","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(μ~2~-5-hydroxy-benzene-1,3-dicarboxylato)-bis(μ~2~-3,3',5,5'- tetramethyl-4,4'-bipyrazole)-di-zinc(ii) hydrate)","","- C72 H74 N16 O23.2 Zn4 -","- C72 H74 N16 O23.204 Zn4 -","- C288 H296 N64 O92.816 Zn16 -","4","0.5","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.036","0.0279","","","0.0668","0.0683","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509361","13.3578","0.0008","18.3162","0.0008","7.772","0.0005","90","","98.421","0.005","90","","1881.03","0.19","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-((μ~3~-5-hydroxy-benzene-1,3-dicarboxylato)-aqua-(3,3',5,5'- tetramethyl-4,4'-bipyrazole)-cadmium(ii))","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C72 H80 Cd4 N16 O24 -","4","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0204","0.0159","","","0.0388","0.0394","","","","","","0.947","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509362","7.3749","0.0006","9.8402","0.0007","15.273","0.0012","98.118","0.001","98.965","0.001","102.064","0.001","1053.18","0.14","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 F4 O4 -","- C28 H18 F4 O4 -","- C56 H36 F8 O8 -","2","1","","Imai, Yoshitane; Kinuta, Takafumi; Kamon, Kensaku; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Complexation Behavior of Binaphthol/Tetrafluoro-1,4-benzoquinone Charge-Transfer Complex","Crystal Growth & Design","2009","9","5","2393","","10.1021/cg801287p","","","0.71073","MoKα","","0.0457","0.0406","","","0.1108","0.1147","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509363","28.205","0.004","13.7038","0.0018","14.1949","0.0019","90","","119.217","0.003","90","","4788.5","1.1","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 O5 -","- C31 H24 O5 -","- C248 H192 O40 -","8","1","","Imai, Yoshitane; Kinuta, Takafumi; Kamon, Kensaku; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Complexation Behavior of Binaphthol/Tetrafluoro-1,4-benzoquinone Charge-Transfer Complex","Crystal Growth & Design","2009","9","5","2393","","10.1021/cg801287p","","","0.71073","MoKα","","0.1301","0.0798","","","0.1494","0.1682","","","","","","1.084","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509364","19.653","0.003","7.1965","0.0012","13.694","0.002","90","","90","","90","","1936.8","0.5","125","2","125","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H18 F2 O3 -","- C25 H18 F2 O3 -","- C100 H72 F8 O12 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Kamon, Kensaku; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Complexation Behavior of Binaphthol/Tetrafluoro-1,4-benzoquinone Charge-Transfer Complex","Crystal Growth & Design","2009","9","5","2393","","10.1021/cg801287p","","","0.71073","MoKα","","0.1002","0.0505","","","0.1057","0.1125","","","","","","0.752","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509365","19.248","0.003","7.2482","0.0013","13.798","0.002","90","","90","","90","","1925","0.5","130","2","130","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H19 F2 O3.5 -","- C25 H18 F2 O3.5 -","- C100 H72 F8 O14 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Kamon, Kensaku; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Complexation Behavior of Binaphthol/Tetrafluoro-1,4-benzoquinone Charge-Transfer Complex","Crystal Growth & Design","2009","9","5","2393","","10.1021/cg801287p","","","0.71073","MoKα","","0.0583","0.0452","","","0.0994","0.1053","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509366","17.7907","0.0007","17.7907","0.0007","17.7907","0.0007","90","","90","","90","","5630.9","0.4","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Li2 N20 O12 S -","- C48 H60 Li2 N20 O12 S -","- C192 H240 Li8 N80 O48 S4 -","4","0.166667","","Custelcean, Radu; Remy, Priscilla","Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities","Crystal Growth & Design","2009","9","4","1985","","10.1021/cg801299a","","","0.71073","MoKα","","0.0733","0.0621","","","0.1678","0.1752","","","","","","1.08","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509367","17.9112","0.0005","17.9112","0.0005","17.9112","0.0005","90","","90","","90","","5746.1","0.3","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Li2 N20 O12 Se -","- C48 H60 Li2 N20 O12 Se -","- C192 H240 Li8 N80 O48 Se4 -","4","0.166667","","Custelcean, Radu; Remy, Priscilla","Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities","Crystal Growth & Design","2009","9","4","1985","","10.1021/cg801299a","","","0.71073","MoKα","","0.0975","0.0758","","","0.2216","0.2419","","","","","","1.064","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509368","17.7871","0.0004","17.7871","0.0004","17.7871","0.0004","90","","90","","90","","5627.5","0.2","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Li2 N20 O11 S -","- C48 H60 Li2 N20 O10.98 S -","- C192 H240 Li8 N80 O43.92 S4 -","4","0.166667","","Custelcean, Radu; Remy, Priscilla","Selective Crystallization of Urea-Functionalized Capsules with Tunable Anion-Binding Cavities","Crystal Growth & Design","2009","9","4","1985","","10.1021/cg801299a","","","0.71073","MoKα","","0.1137","0.0933","","","0.282","0.3035","","","","","","1.103","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509369","16.5748","0.0007","16.5748","0.0007","28.129","0.002","90","","90","","120","","6692.4","0.6","295","2","295","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C35 H19 O10 Zn2 -","- C35 H19 O10 Zn2 -","- C210 H114 O60 Zn12 -","6","0.5","","Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming","Two Metal-Carboxylate Frameworks Featuring Uncommon 2D + 3D and 3-Fold-Interpenetration: (3,5)-Connected Isomeric hms and gra Nets","Crystal Growth & Design","2009","9","5","2415","","10.1021/cg801308u","","","0.71073","MoKα","","0.1065","0.0601","","","0.1576","0.2067","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509370","16.783","0.006","28.062","0.011","13.894","0.005","90","","96.42","0.007","90","","6503","4","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C89 H49 O24 Zn5 -","- C89 H49 O24 Zn5 -","- C178 H98 O48 Zn10 -","2","0.5","","Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming","Two Metal-Carboxylate Frameworks Featuring Uncommon 2D + 3D and 3-Fold-Interpenetration: (3,5)-Connected Isomeric hms and gra Nets","Crystal Growth & Design","2009","9","5","2415","","10.1021/cg801308u","","","0.71073","MoKα","","0.1116","0.0593","","","0.112","0.1262","","","","","","0.931","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509371","7.785","0.0016","10.238","0.002","15.851","0.003","90","","90","","90","","1263.4","0.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H11 Fe N3 O7 -","- C10 H11 Fe N3 O7 -","- C40 H44 Fe4 N12 O28 -","4","1","","Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun","Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties","Crystal Growth & Design","2009","9","8","3423","","10.1021/cg801321e","","","0.71073","MoKα","","0.0319","0.0273","","","0.0656","0.0686","","","","","","1.026","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509372","11.1205","0.0007","6.4538","0.0004","15.6958","0.0009","90","","106.961","0.001","90","","1077.48","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Cd N3 O5 -","- C10 H7 Cd N3 O5 -","- C40 H28 Cd4 N12 O20 -","4","1","","Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun","Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties","Crystal Growth & Design","2009","9","8","3423","","10.1021/cg801321e","","","0.71073","MoKα","","0.0219","0.0212","","","0.0598","0.0601","","","","","","1.101","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509373","7.5169","0.0009","11.5176","0.0014","13.0625","0.0014","90","","108.124","0.005","90","","1074.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun","Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties","Crystal Growth & Design","2009","9","8","3423","","10.1021/cg801321e","","","0.71073","MoKα","","0.0318","0.0259","","","0.0647","0.0678","","","","","","1.045","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509374","21.038","0.003","9.5537","0.0015","28.343","0.005","90","","106.772","0.002","90","","5454.3","1.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Eu3 N13 O31 -","- C40 H42 Eu3 N13 O31 -","- C160 H168 Eu12 N52 O124 -","4","0.5","","Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun","Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties","Crystal Growth & Design","2009","9","8","3423","","10.1021/cg801321e","","","0.71073","MoKα","","0.0324","0.0307","","","0.1167","0.1192","","","","","","1.086","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509375","20.983","0.002","9.519","0.0009","27.525","0.003","90","","106.164","0.001","90","","5280.4","0.9","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cl N12 O28 Tb3 -","- C40 H40 Cl1.02 N12 O28 Tb3 -","- C160 H160 Cl4.08 N48 O112 Tb12 -","4","0.5","","Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun","Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties","Crystal Growth & Design","2009","9","8","3423","","10.1021/cg801321e","","","0.71073","MoKα","","0.0221","0.021","","","0.0551","0.0558","","","","","","1.067","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509376","20.843","0.002","9.4635","0.0009","27.5","0.003","90","","106.037","0.001","90","","5213.2","0.9","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cl N12 O28 Y3 -","- C40 H40 Cl1.02 N12 O28 Y3 -","- C160 H160 Cl4.08 N48 O112 Y12 -","4","0.5","","Li, Xia; Wu, Ben-Lai; Niu, Cao-Yuan; Niu, Yun-Yin; Zhang, Hong-Yun","Syntheses of Metal−2-(Pyridin-4-yl)-1H-imidazole-4,5-dicarboxylate Networks with Topological Diversity: Gas Adsorption, Thermal Stability and Fluorescent Emission Properties","Crystal Growth & Design","2009","9","8","3423","","10.1021/cg801321e","","","0.71073","MoKα","","0.0565","0.0414","","","0.1241","0.1365","","","","","","1.035","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509377","6.227","0.0002","8.387","0.0003","14.364","0.0004","92.141","0.002","101.05","0.002","107.024","0.002","700.5","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","chlortalidone Form I","","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C28 H22 Cl2 N4 O8 S2 -","2","1","","Martins, Felipe T.; Bocelli, Márcio D.; Bonfilio, Rudy; de Araújo, Magali B.; Lima, Patrícia V. de; Neves, Person P.; Veloso, Marcia P.; Ellena, Javier; Doriguetto, Antônio C.","Conformational Polymorphism in Racemic Crystals of the Diuretic Drug Chlortalidone","Crystal Growth & Design","2009","9","7","3235","","10.1021/cg801322x","","","0.71073","MoKα","","0.0605","0.0498","","","0.1349","0.1502","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509378","7.9957","0.0002","8.1467","0.0002","11.4761","0.0003","80.448","0.002","79.277","0.002","86.106","0.002","723.77","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","chlortalidone Form III","","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C28 H22 Cl2 N4 O8 S2 -","2","1","","Martins, Felipe T.; Bocelli, Márcio D.; Bonfilio, Rudy; de Araújo, Magali B.; Lima, Patrícia V. de; Neves, Person P.; Veloso, Marcia P.; Ellena, Javier; Doriguetto, Antônio C.","Conformational Polymorphism in Racemic Crystals of the Diuretic Drug Chlortalidone","Crystal Growth & Design","2009","9","7","3235","","10.1021/cg801322x","","","0.71073","MoKα","","0.0639","0.0534","","","0.1416","0.1503","","","","","","1.108","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509379","14.2359","0.0017","12.5159","0.0015","18.101","0.002","90","","107.098","0.003","90","","3082.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl2 Co N5 O3 -","- C26 H27 Cl2 Co N5 O3 -","- C104 H108 Cl8 Co4 N20 O12 -","4","1","","Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong","Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions","Crystal Growth & Design","2009","9","3","1605","","10.1021/cg8013317","","","0.71073","MoKα","","0.2038","0.068","","","0.1741","0.2232","","","","","","1.072","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509380","11.6722","0.0004","11.7171","0.0005","23.2671","0.0009","90","","96.062","0.003","90","","3164.3","0.2","298","2","298","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C56 H70 Cl2 N12 O15 Zn -","- C56 H70 Cl2 N12 O15 Zn -","- C112 H140 Cl4 N24 O30 Zn2 -","2","1","","Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong","Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions","Crystal Growth & Design","2009","9","3","1605","","10.1021/cg8013317","","","0.71073","MoKα","","0.0743","0.0549","","","0.1399","0.1529","","","","","","1.023","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509381","13.0172","0.0002","8.8201","0.0001","14.7925","0.0002","90","","106.803","0.001","90","","1625.86","0.04","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Co N8 O10 -","- C28 H36 Co N8 O10 -","- C56 H72 Co2 N16 O20 -","2","0.5","","Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong","Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions","Crystal Growth & Design","2009","9","3","1605","","10.1021/cg8013317","","","0.71073","MoKα","","0.0551","0.0388","","","0.0889","0.0988","","","","","","1.027","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509382","4.8087","0.0017","12.043","0.004","18.482","0.006","90","","91.16","0.008","90","","1070.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C44 H52 N8 O8 -","2","0.5","","Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong","Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions","Crystal Growth & Design","2009","9","3","1605","","10.1021/cg8013317","","","0.71073","MoKα","","0.1311","0.0606","","","0.157","0.1878","","","","","","0.894","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509383","14.2056","0.0009","12.3352","0.0008","17.8585","0.0011","90","","106.89","0.007","90","","2994.3","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl2 N5 O2 Zn -","- C27 H25 Cl2 N5 O2 Zn -","- C108 H100 Cl8 N20 O8 Zn4 -","4","1","","Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong","Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions","Crystal Growth & Design","2009","9","3","1605","","10.1021/cg8013317","","","0.71073","MoKα","","0.1059","0.0641","","","0.1561","0.1796","","","","","","0.995","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509384","13.5179","0.0009","25.9084","0.0017","30.351","0.002","90","","90","","90","","10629.7","1.2","298","2","298","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C200 H200 Cl8 Co4 N40 O40 -","- C200 H192 Cl8 Co4 N40 O40 -","- C400 H384 Cl16 Co8 N80 O80 -","2","0.0625","","Chen, Jian-Qiao; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Zhan, Xu-Lin; Zhao, Gang; Zhang, Zhong","Construction of Three-Dimensional Metal−Organic Frameworks with Helical Character through Coordinative and Supramolecular Interactions","Crystal Growth & Design","2009","9","3","1605","","10.1021/cg8013317","","","0.71073","MoKα","","0.1055","0.0797","","","0.2086","0.2261","","","","","","1.048","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509385","14.2453","0.0003","8.0594","0.00019","19.2594","0.0004","90","","94.788","0.0015","90","","2203.43","0.08","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H74 N2 O11 -","- C49 H74 N2 O11 -","- C98 H148 N4 O22 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Aburaya, Kazuaki; Katsuta, Masanori; Tohnai, Norimitsu; Miyata, Mikiji","Structures of Brucinium Cholate: Bile Acid and Strychnine Derivatives Meet in the Crystals","Crystal Growth & Design","2009","9","3","1280","","10.1021/cg801336t","","","1.54187","CuKα","","","0.0586","","","","0.167","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509386","8.0373","0.0002","17.3175","0.0005","18.8337","0.0006","87.7","0.0018","77.701","0.0017","76.579","0.0017","2491.16","0.13","213.1","","","","","","","","","","","4","P 1","P 1","1","","","","- C51 H78 N2 O12.5 -","- C51 H78 N2 O12.5 -","- C102 H156 N4 O25 -","2","2","","Hisaki, Ichiro; Shizuki, Norie; Aburaya, Kazuaki; Katsuta, Masanori; Tohnai, Norimitsu; Miyata, Mikiji","Structures of Brucinium Cholate: Bile Acid and Strychnine Derivatives Meet in the Crystals","Crystal Growth & Design","2009","9","3","1280","","10.1021/cg801336t","","","1.54187","CuKα","","","0.0667","","","","0.2045","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509387","14.3988","0.0003","8.03443","0.00015","19.329","0.0004","90","","94.6951","0.0012","90","","2228.59","0.08","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H74 N2 O11 -","- C49 H74 N2 O11 -","- C98 H148 N4 O22 -","2","1","","Hisaki, Ichiro; Shizuki, Norie; Aburaya, Kazuaki; Katsuta, Masanori; Tohnai, Norimitsu; Miyata, Mikiji","Structures of Brucinium Cholate: Bile Acid and Strychnine Derivatives Meet in the Crystals","Crystal Growth & Design","2009","9","3","1280","","10.1021/cg801336t","","","1.54187","CuKα","","","0.0512","","","","0.1288","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509388","5.1187","0.0007","5.6092","0.0007","34.847","0.005","90","","90","","90","","1000.5","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","Dureisseix, Valérie; Sanselme, Morgane; Robin, Yves; Coquerel, Gérard","Two Concomitant Polymorphs of 1,2-Naphthoquinone-2-semicarbazone","Crystal Growth & Design","2009","9","8","3438","","10.1021/cg801361m","","x-ray","0.71073","MoKα","","0.0577","0.0424","","","0.0999","0.1056","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509389","6.3349","0.0015","3.9263","0.001","19.79","0.005","90","","92.424","0.004","90","","491.8","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C22 H18 N6 O4 -","2","1","","Dureisseix, Valérie; Sanselme, Morgane; Robin, Yves; Coquerel, Gérard","Two Concomitant Polymorphs of 1,2-Naphthoquinone-2-semicarbazone","Crystal Growth & Design","2009","9","8","3438","","10.1021/cg801361m","","x-ray","0.71073","MoKα","","0.0394","0.0344","","","0.0959","0.0987","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509390","12.2012","0.0015","11.0296","0.0014","9.4947","0.0012","90","","92.928","0.002","90","","1276.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Na2 O8 P2 -","- C6 H14 Na2 O8 P2 -","- C24 H56 Na8 O32 P8 -","4","1","","Descamps, Guillaume; Cartigny, Yohann; Sanselme, Morgane; Petit, Marie-Noëlle; Petit, Samuel; Aubin, Eric; Coquerel, Gérard","Structural and Physicochemical Characterization of a Solid Solution Produced by Antisolvent Crystallization of a New Phosphoantigen","Crystal Growth & Design","2009","9","9","3910","","10.1021/cg801380s","","","0.71073","MoKα","","0.0411","0.0358","","","0.0879","0.0909","","","","","","1.085","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509391","11.156","0.0012","6.8098","0.0008","11.0334","0.0012","90","","108.575","0.002","90","","794.54","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Na2 O6 P2 -","- C2 H6 Na2 O6 P2 -","- C8 H24 Na8 O24 P8 -","4","1","","Descamps, Guillaume; Cartigny, Yohann; Sanselme, Morgane; Petit, Marie-Noëlle; Petit, Samuel; Aubin, Eric; Coquerel, Gérard","Structural and Physicochemical Characterization of a Solid Solution Produced by Antisolvent Crystallization of a New Phosphoantigen","Crystal Growth & Design","2009","9","9","3910","","10.1021/cg801380s","","","0.71073","MoKα","","0.0292","0.0276","","","0.075","0.0766","","","","","","1.095","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509392","7.9341","0.001","9.1661","0.0011","10.3306","0.0013","89.439","0.003","88.443","0.003","72.669","0.003","716.92","0.15","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 F4 N2 O4 -","- C40 H22 N4 O4 -","- C40 H22 N4 O4 -","1","0.5","","Fujiki, Yuzo; Shinkai, Seiji; Sada, Kazuki","Selective Deposition of Metal Complex Nanocrystals onto the Surfaces of Organic Single Crystals Bearing Pyridine Moieties","Crystal Growth & Design","2009","9","6","2751","","10.1021/cg801384c","","","0.71073","MoKα","","0.0506","0.041","","","0.1304","0.1555","","","","","","0.601","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509393","7.2294","0.0014","18.691","0.004","11.068","0.002","90","","102.415","0.003","90","","1460.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N6 O3 -","- C15 H14 N6 O3 -","- C60 H56 N24 O12 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.0845","0.0629","","","0.147","0.1595","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509394","7.7022","0.0014","15.578","0.003","10.475","0.002","90","","111.553","0.002","90","","1169","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H10 Cl2 N6 O2 Zn -","- C14 H10 Cl2 N6 O2 Zn -","- C28 H20 Cl4 N12 O4 Zn2 -","2","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.0482","0.0419","","","0.1312","0.1365","","","","","","1.009","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509395","37.1385","0.0014","37.1385","0.0014","10.149","0.0008","90","","90","","120","","12122.8","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H84 Cl12 N36 O18 Zn6 -","- C90 H84 Cl12 N36 O18 Zn6 -","- C270 H252 Cl36 N108 O54 Zn18 -","3","0.166667","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.1175","0.0699","","","0.145","0.1608","","","","","","1.057","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509396","17.904","0.003","6.5317","0.0012","19.129","0.004","90","","109.182","0.004","90","","2112.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Cl2 N6 O4 Zn -","- C16 H24 Cl2 N6 O4 Zn -","- C64 H96 Cl8 N24 O16 Zn4 -","4","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.0944","0.0723","","","0.1389","0.1499","","","","","","1.166","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509397","31.71","0.003","7.8001","0.0009","20.153","0.002","90","","90","","90","","4984.7","0.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H42 Cl4 N18 O9 Zn2 -","- C45 H42 Cl4 N18 O9 Zn2 -","- C180 H168 Cl16 N72 O36 Zn8 -","4","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Microporous Nanotubular Self-Assembly of a Molecular Chair","Crystal Growth & Design","2009","9","7","2979","","10.1021/cg8013859","","","0.71073","MoKα","","0.0362","0.0293","","","0.0723","0.0755","","","","","","1.03","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509398","12.0398","0.0014","23.199","0.003","21.517","0.003","90","","93.483","0.001","90","","5998.8","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H61 Cd3.5 Cl N9 O20 -","- C51 H61 Cd3.5 Cl N9 O20 -","- C204 H244 Cd14 Cl4 N36 O80 -","4","1","","Shyu, Eric; Supkowski, Ronald M.; LaDuca, Robert L.","Structural Diversity in Luminescent Three-Dimensional Cadmium Aliphatic Dicarboxylate Coordination Polymers Incorporating 4,4′-Dipyridylamine: Interpenetrated, Non-Interpenetrated, and Self-Penetrated Networks","Crystal Growth & Design","2009","9","5","2481","","10.1021/cg801396k","","","0.71073","MoKα","","0.0252","0.0211","","","0.0498","0.0515","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509399","17.145","0.004","10.151","0.002","18.75","0.004","90","","94.875","0.002","90","","3251.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cd N3 O4 -","- C16 H17 Cd N3 O4 -","- C128 H136 Cd8 N24 O32 -","8","1","","Shyu, Eric; Supkowski, Ronald M.; LaDuca, Robert L.","Structural Diversity in Luminescent Three-Dimensional Cadmium Aliphatic Dicarboxylate Coordination Polymers Incorporating 4,4′-Dipyridylamine: Interpenetrated, Non-Interpenetrated, and Self-Penetrated Networks","Crystal Growth & Design","2009","9","5","2481","","10.1021/cg801396k","","","0.71073","MoKα","","0.0431","0.0342","","","0.0752","0.0784","","","","","","1.056","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509400","10.2938","0.0016","10.5884","0.0016","18.556","0.003","90.444","0.002","95.115","0.002","93.133","0.002","2011.3","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Cd2 N6 O12 -","- C36 H50 Cd2 N6 O12 -","- C72 H100 Cd4 N12 O24 -","2","1","","Shyu, Eric; Supkowski, Ronald M.; LaDuca, Robert L.","Structural Diversity in Luminescent Three-Dimensional Cadmium Aliphatic Dicarboxylate Coordination Polymers Incorporating 4,4′-Dipyridylamine: Interpenetrated, Non-Interpenetrated, and Self-Penetrated Networks","Crystal Growth & Design","2009","9","5","2481","","10.1021/cg801396k","","","0.71073","MoKα","","0.0323","0.0245","","","0.0591","0.063","","","","","","1.021","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509401","8.1281","0.0004","11.0535","0.0004","11.6925","0.0005","106.888","0.004","92.373","0.004","95.951","0.004","996.95","0.08","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H60 N6 O12 -","- C36 H60 N6 O12 -","- C36 H60 N6 O12 -","1","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.5418","CuKα","","0.0675","0.0528","","","0.1261","0.1291","","","","","","1.147","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509402","12.5432","0.0009","12.796","0.0009","13.7044","0.0009","90","","109.229","0.008","90","","2076.9","0.3","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N10 -","- C18 H30 N10 -","- C72 H120 N40 -","4","1","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.54184","CuKα","","0.058","0.0413","","","0.0978","0.1026","","","","","","1.029","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509403","14.8378","0.0002","11.0076","0.0001","17.4591","0.0002","90","","103.513","0.001","90","","2772.63","0.06","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 N10 -","- C30 H42 N10 -","- C120 H168 N40 -","4","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.5418","CuKα","","0.0509","0.0446","","","0.1122","0.1148","","","","","","1.109","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509404","6.7931","0.0004","7.8895","0.0004","10.5699","0.0006","105.933","0.005","98.07","0.005","102.282","0.004","520.21","0.05","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C26 H20 N6 -","1","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.5418","CuKα","","0.0386","0.0366","","","0.1027","0.104","","","","","","1.073","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509405","7.1912","0.0001","16.558","0.0001","10.4876","0.0001","90","","93.844","0.001","90","","1245.97","0.02","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N8 Pt -","- C32 H20 N8 Pt -","- C64 H40 N16 Pt2 -","2","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.5418","CuKα","","0.0296","0.0248","","","0.0642","0.0664","","","","","","1.063","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509406","6.9072","0.0001","13.6193","0.0002","13.112","0.0002","90","","101.128","0.001","90","","1210.27","0.03","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 -","- C24 H36 N6 -","- C48 H72 N12 -","2","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.5418","CuKα","","0.0636","0.0577","","","0.1423","0.1439","","","","","","1.237","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509407","7.9311","0.0006","7.9821","0.0001","10.7052","0.0004","111.703","0.005","104.192","0.001","93.7","","601.32","0.06","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N6 -","- C30 H22 N6 -","- C30 H22 N6 -","1","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.5418","CuKα","","0.0381","0.0372","","","0.0992","0.0999","","","","","","1.068","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509408","8.7203","0.0004","9.7795","0.0004","12.7972","0.0006","101.318","0.004","100.927","0.004","113.272","0.004","938.85","0.09","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 N6 -","- C24 H16 N6 -","- C48 H32 N12 -","2","1","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.54184","CuKα","","0.046","0.0394","","","0.1114","0.115","","","","","","1.04","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509409","7.5774","0.0005","8.3727","0.0004","12.9065","0.0006","90","","97.274","0.006","90","","812.24","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N8 -","- C18 H14 N8 -","- C36 H28 N16 -","2","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.54184","CuKα","","0.0954","0.0609","","","0.2033","0.2122","","","","","","1.174","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509410","9.8168","0.0004","10.8963","0.0004","13.1091","0.0005","74.224","0.003","78.567","0.003","80.703","0.003","1314","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H50 N12 O6 Zn2 -","- C58 H42 N12 O6 Zn2 -","- C58 H42 N12 O6 Zn2 -","1","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.54184","CuKα","","0.0981","0.0894","","","0.2372","0.2411","","","","","","1.124","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509411","9.0955","0.0002","9.1722","0.0002","9.9178","0.0002","99.855","0.002","91.037","0.002","95.835","0.002","810.44","0.03","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 N6 O2 -","- C38 H34 N6 O2 -","- C38 H34 N6 O2 -","1","0.5","","Hudson, Timothy A.; Robson, Richard","A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations","Crystal Growth & Design","2009","9","4","1658","","10.1021/cg801400j","","","1.5418","CuKα","","0.0446","0.0423","","","0.1111","0.1126","","","","","","1.055","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509412","10.302","0.005","5.345","0.002","8.662","0.004","90","","98.659","0.009","90","","471.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Li O2 -","- C6 H3 Li O2 -","- C24 H12 Li4 O8 -","4","1","","Banerjee, Debasis; Kim, Sun Jin; Parise, John B.","Lithium Based Metal−Organic Framework with Exceptional Stability","Crystal Growth & Design","2009","9","5","2500","","10.1021/cg8014157","","","0.71073","MoKα","","0.0557","0.0405","","","0.106","0.1132","","","","","","1.062","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509413","13","0.003","13.3","0.003","14.084","0.003","74.66","0.03","63.59","0.03","87","0.03","2097.3","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Ag4 Mo12 N24 O42 Si -","- C48 H48 Ag4 Mo12 N24 O42 Si -","- C48 H48 Ag4 Mo12 N24 O42 Si -","1","0.5","","Dong, Bao-xia; Xu, Qiang","Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks","Crystal Growth & Design","2009","9","6","2776","","10.1021/cg9000076","","","0.71073","MoKα","","0.1018","0.0947","","","0.2008","0.2058","","","","","","1.287","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509414","12.79","0.003","13.83","0.003","14.21","0.003","71.01","0.03","65.67","0.03","63.8","0.03","2023.1","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 Cu4 Mo12 N24 O40 Si -","- C48 H48 Cu4 Mo12 N24 O40 Si -","- C48 H48 Cu4 Mo12 N24 O40 Si -","1","0.5","","Dong, Bao-xia; Xu, Qiang","Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks","Crystal Growth & Design","2009","9","6","2776","","10.1021/cg9000076","","","0.71073","MoKα","","0.1855","0.0855","","","0.1913","0.2589","","","","","","1.033","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509415","11.34","0.002","15.77","0.003","22.9","0.005","90","","97.98","0.03","90","","4055.6","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu2 Mo12 N24 O40 Si -","- C48 H48 Cu2 Mo12 N24 O40 Si -","- C96 H96 Cu4 Mo24 N48 O80 Si2 -","2","0.5","","Dong, Bao-xia; Xu, Qiang","Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks","Crystal Growth & Design","2009","9","6","2776","","10.1021/cg9000076","","","0.71073","MoKα","","0.0645","0.0611","","","0.1379","0.1422","","","","","","1.075","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509416","12.4","0.003","13.4","0.003","14.12","0.003","72.26","0.03","64.37","0.03","89.2","0.03","1995.7","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H49 Mo12 N24 O40.5 Si Zn2 -","- C48 H48 Mo12 N24 O40.5 Si Zn2 -","- C48 H48 Mo12 N24 O40.5 Si Zn2 -","1","0.5","","Dong, Bao-xia; Xu, Qiang","Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks","Crystal Growth & Design","2009","9","6","2776","","10.1021/cg9000076","","","0.71073","MoKα","","0.0831","0.0724","","","0.1574","0.1659","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509417","10.26","0.002","13.55","0.003","14.86","0.003","105.7","0.03","90.8","0.03","108.8","0.03","1871.1","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Mn2 Mo12 N18 O48 Si -","- C36 H36 Mn2 Mo12 N18 O48 Si -","- C36 H36 Mn2 Mo12 N18 O48 Si -","1","0.5","","Dong, Bao-xia; Xu, Qiang","Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks","Crystal Growth & Design","2009","9","6","2776","","10.1021/cg9000076","","","0.71073","MoKα","","0.1106","0.1027","","","0.2342","0.2422","","","","","","1.285","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509418","10.2","0.002","13.462","0.003","14.9","0.003","105.76","0.03","90.6","0.03","110.2","0.03","1835.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Mo12 N18 Ni2 O48 Si -","- C36 H36 Mo12 N18 Ni2 O48 Si -","- C36 H36 Mo12 N18 Ni2 O48 Si -","1","0.5","","Dong, Bao-xia; Xu, Qiang","Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks","Crystal Growth & Design","2009","9","6","2776","","10.1021/cg9000076","","","0.71073","MoKα","","0.1144","0.0966","","","0.2314","0.2455","","","","","","1.137","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509419","10.19","0.002","13.45","0.003","14.88","0.003","105.82","0.03","90.5","0.03","109.19","0.03","1842.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Co2 Mo12 N18 O48 Si -","- C36 H36 Co2 Mo12 N18 O48 Si -","- C36 H36 Co2 Mo12 N18 O48 Si -","1","0.5","","Dong, Bao-xia; Xu, Qiang","Structural Investigation of Flexible 1,4-Bis(1,2,4-triazol-1-ylmethyl)benzene Ligand in Keggin-Based Polyoxometalate Frameworks","Crystal Growth & Design","2009","9","6","2776","","10.1021/cg9000076","","","0.71073","MoKα","","0.1022","0.0872","","","0.2246","0.2378","","","","","","1.082","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509420","11.088","0.003","9.669","0.003","28.537","0.007","90","","90","","90","","3059.4","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 La N O8 P -","- C13 H9 La N O8 P -","- C104 H72 La8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0712","0.0558","","","0.0961","0.1025","","","","","","1.179","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509421","11.0097","0.0005","9.6183","0.0005","28.4383","0.0013","90","","90","","90","","3011.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O8 P Pr -","- C13 H9 N O8 P Pr -","- C104 H72 N8 O64 P8 Pr8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0593","0.0451","","","0.0784","0.0842","","","","","","1.158","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509422","10.967","0.0018","9.5949","0.0017","28.377","0.005","90","","90","","90","","2986","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N Nd O8 P -","- C13 H9 N Nd O8 P -","- C104 H72 N8 Nd8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0355","0.0336","","","0.062","0.0626","","","","","","1.318","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509423","10.863","0.002","9.5249","0.0016","28.298","0.005","90","","90","","90","","2928","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Eu N O8 P -","- C13 H9 Eu N O8 P -","- C104 H72 Eu8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0431","0.0398","","","0.082","0.083","","","","","","1.382","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509424","10.8523","0.0006","9.528","0.0005","28.2963","0.0016","90","","90","","90","","2925.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Gd N O8 P -","- C13 H9 Gd N O8 P -","- C104 H72 Gd8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0847","0.0697","","","0.1115","0.117","","","","","","1.263","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509425","10.809","0.003","9.47","0.002","28.244","0.006","90","","90","","90","","2891.1","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O8 P Tb -","- C13 H9 N O8 P Tb -","- C104 H72 N8 O64 P8 Tb8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0764","0.0696","","","0.1342","0.1363","","","","","","1.441","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509426","10.717","0.002","9.4278","0.0017","28.146","0.006","90","","90","","90","","2843.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Er N O8 P -","- C13 H9 Er N O8 P -","- C104 H72 Er8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0427","0.0402","","","0.0771","0.0782","","","","","","1.163","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509427","7.6861","0.0015","16.47","0.003","25.37","0.005","90","","90","","90","","3211.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 Eu O18 S3 -","- C21 H39 Eu O18 S3 -","- C84 H156 Eu4 O72 S12 -","4","1","","Tang, Si-Fu; Mudring, Anja-Verena","The Missing Link Crystallized from the Ionic Liquid 1-Ethyl-3-methylimidazolium Tosylate: Bis-aqua-(p-toluenesulfonato-O)-europium(III)-bis-p-toluenesulfonate Dihydrate","Crystal Growth & Design","2009","9","6","2549","","10.1021/cg900025x","","","0.71073","MoKα","","0.0394","0.0363","","","0.0861","0.0886","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509428","8.8695","0.0018","18.163","0.004","18.328","0.004","87.08","0.03","82.9","0.03","79.24","0.03","2877.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H94 Cl4 Cu N4 -","- C54 H94 Cl4 Cu N4 -","- C108 H188 Cl8 Cu2 N8 -","2","1","","Wang, KeFei; Jian, FangFang; Zhuang, RuiRui; Xiao, HaiLian","New Ionic Liquids ofN,N′-Dialkylbenzimidazolium Salt Comprising Copper(II) Ions","Crystal Growth & Design","2009","9","9","3934","","10.1021/cg900031c","","","0.71073","MoKα","","0.0937","0.0812","","","0.205","0.2151","","","","","","1.069","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509429","8.979","0.0018","9.066","0.0018","19.995","0.004","83.57","0.03","84.83","0.03","83.44","0.03","1601.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 Cl2 Cu0.5 N2 -","- C31 H55 Cl2 Cu0.5 N2 -","- C62 H110 Cl4 Cu N4 -","2","1","","Wang, KeFei; Jian, FangFang; Zhuang, RuiRui; Xiao, HaiLian","New Ionic Liquids ofN,N′-Dialkylbenzimidazolium Salt Comprising Copper(II) Ions","Crystal Growth & Design","2009","9","9","3934","","10.1021/cg900031c","","","0.71073","MoKα","","0.0825","0.0478","","","0.0955","0.1106","","","","","","1.023","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509430","8.8578","0.0018","16.034","0.003","18.3","0.004","87.22","0.03","79.02","0.02","78.44","0.03","2499.6","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H78 Cl4 Cu N4 -","- C46 H78 Cl4 Cu N4 -","- C92 H156 Cl8 Cu2 N8 -","2","1","","Wang, KeFei; Jian, FangFang; Zhuang, RuiRui; Xiao, HaiLian","New Ionic Liquids ofN,N′-Dialkylbenzimidazolium Salt Comprising Copper(II) Ions","Crystal Growth & Design","2009","9","9","3934","","10.1021/cg900031c","","","0.71073","MoKα","","0.1029","0.0727","","","0.2547","0.2952","","","","","","1.066","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509431","24.8053","0.0009","9.0346","0.0003","6.7517","0.0003","90","","90","","90","","1513.1","0.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag3 K2 S7 Sb3 -","- Ag3 K2 S7 Sb3 -","- Ag12 K8 S28 Sb12 -","4","0.5","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; Zhang, Ren-Chun; An, Yong-Lin; Ning, Gui-ling","Solvothermal Syntheses of Two Novel Layered Quaternary Silver−Antimony(III) Sulfides with Different Strategies","Crystal Growth & Design","2009","9","9","3821","","10.1021/cg9000335","","","0.71073","MoKα","","0.0265","0.0262","","","0.0648","0.065","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509432","6.7406","0.0003","9.4172","0.0004","10.9115","0.0005","90.697","0.003","92.804","0.003","90.732","0.002","691.69","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag2 K S3 Sb -","- Ag2 K S3 Sb -","- Ag8 K4 S12 Sb4 -","4","2","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; Zhang, Ren-Chun; An, Yong-Lin; Ning, Gui-ling","Solvothermal Syntheses of Two Novel Layered Quaternary Silver−Antimony(III) Sulfides with Different Strategies","Crystal Growth & Design","2009","9","9","3821","","10.1021/cg9000335","","","0.71073","MoKα","","0.0323","0.0298","","","0.0752","0.0766","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509433","4.3526","0.0004","16.5467","0.0017","13.4482","0.0014","90","","93.818","0.001","90","","966.41","0.17","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","","Kohmoto, Shigeo; Kuroda, Yu; Someya, Yasunobu; Kishikawa, Keiki; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao","Hydrogen-Bonded Dimers of 3,5-Bis(hydroxymethyl)benzoic Acids: Novel Supramolecular Tectons","Crystal Growth & Design","2009","9","8","3457","","10.1021/cg9000347","","","0.71073","MoKα","","0.0517","0.0422","","","0.1246","0.1324","","","","","","1.51","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509434","4.6209","0.0016","14.65","0.005","20.818","0.007","90","","96.766","0.007","90","","1399.5","0.8","15","","15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Kohmoto, Shigeo; Kuroda, Yu; Someya, Yasunobu; Kishikawa, Keiki; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao","Hydrogen-Bonded Dimers of 3,5-Bis(hydroxymethyl)benzoic Acids: Novel Supramolecular Tectons","Crystal Growth & Design","2009","9","8","3457","","10.1021/cg9000347","","","0.71073","MoKα","","0.0906","0.0687","","","0.1882","0.198","","","","","","1.11","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509435","9.3413","0.0011","11.8109","0.0014","21.76","0.003","87.034","0.002","81.17","0.002","69.384","0.002","2220.4","0.5","15","","15","","","","","","","","","3","P -1","-P 1","2","","","","- C16.6 H18.4 O5.6 -","- C16.6 H18.4 O5.6 -","- C99.6 H110.4 O33.6 -","6","3","","Kohmoto, Shigeo; Kuroda, Yu; Someya, Yasunobu; Kishikawa, Keiki; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao","Hydrogen-Bonded Dimers of 3,5-Bis(hydroxymethyl)benzoic Acids: Novel Supramolecular Tectons","Crystal Growth & Design","2009","9","8","3457","","10.1021/cg9000347","","","0.71073","MoKα","","0.0497","0.0416","","","0.1124","0.1173","","","","","","1.03","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509436","9.355","0.003","11.981","0.004","21.803","0.008","86.705","0.004","80.899","0.004","68.099","0.004","2238.8","1.3","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C16.67 H18 O5.33 -","- C16.6667 H17.6667 O5.33333 -","- C100 H106 O32 -","6","3","","Kohmoto, Shigeo; Kuroda, Yu; Someya, Yasunobu; Kishikawa, Keiki; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao","Hydrogen-Bonded Dimers of 3,5-Bis(hydroxymethyl)benzoic Acids: Novel Supramolecular Tectons","Crystal Growth & Design","2009","9","8","3457","","10.1021/cg9000347","","","0.71073","MoKα","","0.0859","0.0674","","","0.2083","0.2303","","","","","","0.998","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509437","10.365","0.01","8.326","0.008","18.226","0.018","90","","94.737","0.012","90","","1568","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Kohmoto, Shigeo; Kuroda, Yu; Someya, Yasunobu; Kishikawa, Keiki; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao","Hydrogen-Bonded Dimers of 3,5-Bis(hydroxymethyl)benzoic Acids: Novel Supramolecular Tectons","Crystal Growth & Design","2009","9","8","3457","","10.1021/cg9000347","","","0.71073","MoKα","","0.0913","0.0627","","","0.1763","0.1988","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509438","4.5381","0.0005","28.883","0.003","13.2464","0.0014","90","","92.079","0.001","90","","1735.1","0.3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Kohmoto, Shigeo; Kuroda, Yu; Someya, Yasunobu; Kishikawa, Keiki; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao","Hydrogen-Bonded Dimers of 3,5-Bis(hydroxymethyl)benzoic Acids: Novel Supramolecular Tectons","Crystal Growth & Design","2009","9","8","3457","","10.1021/cg9000347","","","0.71073","MoKα","","0.0818","0.0619","","","0.1683","0.182","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509439","9.6268","0.0015","12.892","0.002","17.778","0.003","90","","90","0.002","90","","2206.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N6 O5 Zn -","- C23 H16 N6 O5 Zn -","- C92 H64 N24 O20 Zn4 -","4","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.051","0.0411","","","0.0938","0.0981","","","","","","1.018","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509440","13.8446","0.0012","15.6176","0.0014","15.4016","0.0014","90","","105.371","0.002","90","","3211","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N6 O11 Zn2 -","- C31 H26 N6 O11 Zn2 -","- C124 H104 N24 O44 Zn8 -","4","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.078","0.0545","","","0.1191","0.128","","","","","","0.977","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509441","11.193","0.0017","17.775","0.003","12.4971","0.0018","90","","110.768","0.003","90","","2324.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cl2 N6 O4 Zn2 -","- C23 H16 Cl2 N6 O4 Zn2 -","- C92 H64 Cl8 N24 O16 Zn8 -","4","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.0533","0.0412","","","0.084","0.0884","","","","","","0.987","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509442","25.7057","0.0017","11.8041","0.0008","20.9672","0.0013","90","","90","","90","","6362.1","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C62 H44 N12 O18 Zn4 -","- C62 H40 N12 O18 Zn4 -","- C248 H160 N48 O72 Zn16 -","4","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.0689","0.0523","","","0.1096","0.1155","","","","","","0.972","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509443","29.47","0.005","9.7036","0.0015","14.674","0.002","90","","114.343","0.005","90","","3823.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N7 O5 Zn -","- C19 H14 N7 O5 Zn -","- C152 H112 N56 O40 Zn8 -","8","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.0611","0.0438","","","0.0745","0.079","","","","","","0.955","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509444","30.386","0.004","9.6758","0.001","15.0141","0.0016","90","","116.78","0.003","90","","3940.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 I N6 O2 Zn -","- C19 H14 I N6 O2 Zn -","- C152 H112 I8 N48 O16 Zn8 -","8","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.063","0.0583","","","0.1505","0.1544","","","","","","1.068","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509445","12.2042","0.0013","13.5443","0.0015","13.9699","0.0014","89.426","0.002","73.78","0.003","82.52","0.002","2197.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 Br Cl4 N12 O6 Zn3 -","- C38 H27 Br Cl4 N12 O6 Zn3 -","- C76 H54 Br2 Cl8 N24 O12 Zn6 -","2","1","","Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin","Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies","Crystal Growth & Design","2009","9","6","2801","","10.1021/cg900059m","","","0.71073","MoKα","","0.0764","0.0516","","","0.1139","0.1216","","","","","","0.886","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509446","14.116","0.003","15.011","0.003","23.121","0.005","90","","90","","90","","4899.2","1.8","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H64 Cl2 Mo N20 Ni3 O13 -","- C26 H54 Cl2 Mo N20 Ni3 O13 -","- C104 H216 Cl8 Mo4 N80 Ni12 O52 -","4","1","","Zhang, Wen; Wang, Zhi-Qiang; Sato, Osamu; Xiong, Ren-Gen","A Secondary Reagent-Assisted Synthesis of A Novel NiII−MoIVChiral Coordination Polymer","Crystal Growth & Design","2009","9","5","2050","","10.1021/cg900062y","","","0.71073","MoKα","","0.0954","0.0633","","","0.1285","0.1383","","","","","","1.006","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509447","35.0016","0.0012","14.8987","0.0005","30.0846","0.001","90","","97.973","0.001","90","","15536.8","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H71 Gd2 N7 O27 S3 -","- C54 H46 Gd2 N4 O22 S3 -","- C432 H368 Gd16 N32 O176 S24 -","8","1","","Yan, Li; Yue, Qi; Jia, Qin-Xiang; Lemercier, Gilles; Gao, En-Qing","Lanthanide Metal−Organic Frameworks Based on Octahedral Secondary Building Units: Rare Net Topology and Luminescence","Crystal Growth & Design","2009","9","7","2984","","10.1021/cg9000736","","","0.71073","MoKα","","0.0608","0.0404","","","0.0902","0.095","","","","","","0.992","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509448","35.0409","0.0017","14.9178","0.0007","30.1429","0.0014","90","","98.386","0.001","90","","15588.2","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H71 Eu2 N7 O27 S3 -","- C54 H46 Eu2 N4 O22 S3 -","- C432 H368 Eu16 N32 O176 S24 -","8","1","","Yan, Li; Yue, Qi; Jia, Qin-Xiang; Lemercier, Gilles; Gao, En-Qing","Lanthanide Metal−Organic Frameworks Based on Octahedral Secondary Building Units: Rare Net Topology and Luminescence","Crystal Growth & Design","2009","9","7","2984","","10.1021/cg9000736","","","0.71073","MoKα","","0.0455","0.0387","","","0.1085","0.1109","","","","","","1.083","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509449","34.8041","0.0014","14.8602","0.0006","29.774","0.0012","90","","98.801","0.001","90","","15217.7","1.1","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H71 Eu2 N7 O27 S3 -","- C54 H46 Eu2 N4 O22 S3 -","- C432 H368 Eu16 N32 O176 S24 -","8","1","","Yan, Li; Yue, Qi; Jia, Qin-Xiang; Lemercier, Gilles; Gao, En-Qing","Lanthanide Metal−Organic Frameworks Based on Octahedral Secondary Building Units: Rare Net Topology and Luminescence","Crystal Growth & Design","2009","9","7","2984","","10.1021/cg9000736","","","0.71073","MoKα","","0.0702","0.0519","","","0.1304","0.1371","","","","","","1.048","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509450","35.3729","0.0011","15.0162","0.0005","30.3812","0.0009","90","","99.126","0.001","90","","15933.2","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H71 N7 Nd2 O27 S3 -","- C54 H46 N4 Nd2 O22 S3 -","- C432 H368 N32 Nd16 O176 S24 -","8","1","","Yan, Li; Yue, Qi; Jia, Qin-Xiang; Lemercier, Gilles; Gao, En-Qing","Lanthanide Metal−Organic Frameworks Based on Octahedral Secondary Building Units: Rare Net Topology and Luminescence","Crystal Growth & Design","2009","9","7","2984","","10.1021/cg9000736","","","0.71073","MoKα","","0.0901","0.0567","","","0.139","0.1493","","","","","","1.031","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509451","12.004","0.003","18.28","0.005","13.625","0.003","90","","96.839","0.008","90","","2968.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trisbiimdazolecobalt(III) trisoxalatocobaltate(III) dihydrate","","- C24 H22 Co2 N12 O14 -","- C24 H18 Co2 N12 O14 -","- C96 H72 Co8 N48 O56 -","4","0.5","","Borel, Cédric; Larsson, Krister; Håkansson, Mikael; Olsson, Björn E.; Bond, Andrew D.; Öhrström, Lars","Oxalate- and Squarate-Biimidazole Supramolecular Synthons: Hydrogen-Bonded Networks Based on [Co(H2biimidazole)3]3+","Crystal Growth & Design","2009","9","6","2821","","10.1021/cg900075j","","x-ray","0.71073","MoKα","","0.0723","0.067","","","0.1407","0.1437","","","","","","1.186","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509452","12.0595","0.0004","18.4539","0.0006","13.5995","0.0005","90","","97.71","0.001","90","","2999.14","0.18","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trisbiimdazolecobalt(III) trisoxalatochromate(III) dihydrate","","- C24 H22 Co Cr N12 O14 -","- C24 H18 Co Cr N12 O14 -","- C96 H72 Co4 Cr4 N48 O56 -","4","0.5","","Borel, Cédric; Larsson, Krister; Håkansson, Mikael; Olsson, Björn E.; Bond, Andrew D.; Öhrström, Lars","Oxalate- and Squarate-Biimidazole Supramolecular Synthons: Hydrogen-Bonded Networks Based on [Co(H2biimidazole)3]3+","Crystal Growth & Design","2009","9","6","2821","","10.1021/cg900075j","","","0.71073","MoKα","","0.0502","0.0386","","","0.1055","0.1133","","","","","","1.006","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509453","10.1255","0.0009","13.9169","0.0005","14.6328","0.0005","118.386","0.001","100.462","0.001","99.392","0.001","1708.1","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","trisbiimdazolecobalt(III)tris(3-hydroxycyclobut-3-ene-1,2-dion-4-olate)hydrate","","- C30 H25 Co N12 O14 -","- C30 H25 Co N12 O14 -","- C60 H50 Co2 N24 O28 -","2","1","","Borel, Cédric; Larsson, Krister; Håkansson, Mikael; Olsson, Björn E.; Bond, Andrew D.; Öhrström, Lars","Oxalate- and Squarate-Biimidazole Supramolecular Synthons: Hydrogen-Bonded Networks Based on [Co(H2biimidazole)3]3+","Crystal Growth & Design","2009","9","6","2821","","10.1021/cg900075j","","","0.71073","MoKα","","0.0372","0.0313","","","0.0871","0.0892","","","","","","1.094","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509454","14.0103","0.0008","20.9727","0.001","21.3754","0.0011","90","","106.979","0.003","90","","6007","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trisbiimdazolecobalt(III) oxalate chloride hydrate","","- C20 H29 Cl Co N12 O9.5 -","- C20 H18 Cl Co N12 O9.5 -","- C160 H144 Cl8 Co8 N96 O76 -","8","1","","Borel, Cédric; Larsson, Krister; Håkansson, Mikael; Olsson, Björn E.; Bond, Andrew D.; Öhrström, Lars","Oxalate- and Squarate-Biimidazole Supramolecular Synthons: Hydrogen-Bonded Networks Based on [Co(H2biimidazole)3]3+","Crystal Growth & Design","2009","9","6","2821","","10.1021/cg900075j","","","0.90703","synchrotron","","0.0801","0.0715","","","0.1946","0.2061","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509455","22.1918","0.0004","22.1918","0.0004","18.5523","0.0007","90","","90","","90","","9136.6","0.4","295","2","295","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 H14 Cd3 N21 O2.5 -","- C6 H14 Cd3 N21 O2.5 -","- C96 H224 Cd48 N336 O40 -","16","1","","Hsiu-Mei, Lin; Tsung-Yuan, Chang","A Three-Dimensional Porous Metal−Organic Framework with a Body-Centered Cubic Topology Constructed from 48-Membered Tetraicosanuclear Metallamacrocycle Based on in Situ Ligand Synthesis","Crystal Growth & Design","2009","9","7","2988","","10.1021/cg900078s","","","0.71073","MoKα","","0.0346","0.033","","","0.0907","0.096","","","","","","1.15","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509456","10.1928","0.0012","21.094","0.003","15.4861","0.0019","90","","106.661","0.002","90","","3189.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Ba1.5 Dy N3 O21 -","- C21 H21 Ba1.5 Dy N3 O21 -","- C84 H84 Ba6 Dy4 N12 O84 -","4","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.71073","MoKα","","0.0492","0.0381","","","0.0934","0.0998","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509457","10.2214","0.0012","21.306","0.002","15.5462","0.0018","90","","106.719","0.002","90","","3242.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Ba1.5 Eu N3 O22 -","- C21 H23 Ba1.5 Eu N3 O22 -","- C84 H92 Ba6 Eu4 N12 O88 -","4","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.71073","MoKα","","0.0481","0.0362","","","0.0863","0.0935","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509458","13.3845","0.0011","14.7152","0.0013","16.7344","0.0013","70.215","0.004","75.21","0.004","73.588","0.004","2928.1","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H57 Ba2 N5 O41 Pr2 -","- C35 H19 Ba2 N5 O41 Pr2 -","- C70 H38 Ba4 N10 O82 Pr4 -","2","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.7107","MoKα","","0.0511","0.0431","","","0.1194","0.1248","","","","","","1.068","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509459","10.097","0.003","21.14","0.006","15.381","0.005","90","","106.536","0.004","90","","3147.3","1.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Ba1.5 Gd N3 O22 -","- C21 H9 Ba1.5 Gd N3 O22 -","- C84 H36 Ba6 Gd4 N12 O88 -","4","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.7107","MoKα","","0.026","0.0226","","","0.0663","0.0678","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509460","13.426","0.003","18.161","0.004","24.972","0.005","94.763","0.003","102.297","0.004","90.479","0.004","5927","2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H108 Ba4 Eu4 N10 O79 -","- C70 H30 Ba4 Eu4 N10 O79 -","- C140 H60 Ba8 Eu8 N20 O158 -","2","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.71073","MoKα","","0.1376","0.0582","","","0.1257","0.1632","","","","","","1.009","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509461","16.182","0.003","20.573","0.004","20.857","0.004","89.774","0.003","71.841","0.003","88.87","0.004","6596","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H115 Ba6 Dy4 N12 O87.5 -","- C84 H36 Ba6 Dy4 N12 O87.5 -","- C168 H72 Ba12 Dy8 N24 O175 -","2","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.71073","MoKα","","0.153","0.0761","","","0.1877","0.2297","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509462","13.676","0.014","15.366","0.015","16.727","0.016","70.543","0.019","75.295","0.017","74.895","0.017","3146","5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 Ba2 N5 O38 Sm2 -","- C35 H15 Ba2 N5 O38 Sm2 -","- C70 H30 Ba4 N10 O76 Sm4 -","2","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.71073","MoKα","","0.3128","0.1082","","","0.2251","0.3482","","","","","","0.95","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509463","16.117","0.003","20.318","0.003","20.763","0.004","89.835","0.003","72.005","0.003","88.916","0.003","6465","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H113 Ba6 Lu4 N12 O86.5 -","- C84 H36 Ba6 Lu4 N12 O86.5 -","- C168 H72 Ba12 Lu8 N24 O173 -","2","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.71073","MoKα","","0.132","0.0882","","","0.2286","0.2582","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509464","10.129","0.002","21.07","0.004","15.365","0.003","90","","106.545","0.003","90","","3143.4","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Ba1.5 N3 O22 Tb -","- C21 H9 Ba1.5 N3 O22 Tb -","- C84 H36 Ba6 N12 O88 Tb4 -","4","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.7107","MoKα","","0.0511","0.048","","","0.1101","0.1124","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509465","12.8071","0.0014","10.7274","0.0012","29.754","0.003","90","","99.518","0.002","90","","4031.5","0.8","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Ba3 N5 O27 Tb -","- C28 H28 Ba3 N5 O27 Tb -","- C112 H112 Ba12 N20 O108 Tb4 -","4","1","","Zhao, Xiao-Qing; Zuo, Ya; Gao, Dong-Liang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Luminescence Properties of a Series of LnIII−BaIIHeterometal-Organic Frameworks","Crystal Growth & Design","2009","9","9","3948","","10.1021/cg9000818","","","0.71073","MoKα","","0.0589","0.0365","","","0.079","0.0874","","","","","","1.02","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509466","11.2141","0.0001","12.5092","0.0001","17.2612","0.0002","104.434","0.0004","100.157","0.0005","109.378","0.0005","2121.32","0.04","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Cd2 Cl2 N10 O12 S3 -","- C31 H26 Cd2 Cl2 N10 O12 S3 -","- C62 H52 Cd4 Cl4 N20 O24 S6 -","2","1","","Tzeng, Biing-Chiau; Yeh, Hsien-Te; Chang, Tsung-Yi; Lee, Gene-Hsiang","Novel Coordinated-Solvent Induced Assembly of Cd(II) Coordination Polymers Containing 4,4′-Dipyridylsulfide","Crystal Growth & Design","2009","9","6","2552","","10.1021/cg900119a","","","0.71073","MoKα","","0.0886","0.056","","","0.1529","0.1878","","","","","","1.027","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509467","10.473","0.0008","19.2211","0.0014","19.0207","0.0011","90","","113.114","0.003","90","","3521.6","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cd Cl2 N6 O10 S2 -","- C26 H30 Cd Cl2 N6 O10 S2 -","- C104 H120 Cd4 Cl8 N24 O40 S8 -","4","1","","Tzeng, Biing-Chiau; Yeh, Hsien-Te; Chang, Tsung-Yi; Lee, Gene-Hsiang","Novel Coordinated-Solvent Induced Assembly of Cd(II) Coordination Polymers Containing 4,4′-Dipyridylsulfide","Crystal Growth & Design","2009","9","6","2552","","10.1021/cg900119a","","","0.71073","MoKα","","0.0659","0.0531","","","0.1206","0.1276","","","","","","1.119","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509468","10.8272","0.0001","17.2375","0.0002","19.3098","0.0002","90","","92.1574","0.0006","90","","3601.31","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd Cl2 N8 O8 S2 -","- C28 H28 Cd Cl2 N8 O8 S2 -","- C112 H112 Cd4 Cl8 N32 O32 S8 -","4","1","","Tzeng, Biing-Chiau; Yeh, Hsien-Te; Chang, Tsung-Yi; Lee, Gene-Hsiang","Novel Coordinated-Solvent Induced Assembly of Cd(II) Coordination Polymers Containing 4,4′-Dipyridylsulfide","Crystal Growth & Design","2009","9","6","2552","","10.1021/cg900119a","","","0.71073","MoKα","","0.0858","0.0466","","","0.1072","0.1291","","","","","","1.069","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509469","16.8687","0.0005","16.8687","0.0005","28.5613","0.0009","90","","90","","90","","8127.2","0.4","150","1","150","1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C57 H54 Cd2 Cl16 N10 O19 S5 -","- C57 H50 Cd2 Cl16 N10 O19 S5 -","- C228 H200 Cd8 Cl64 N40 O76 S20 -","4","0.5","","Tzeng, Biing-Chiau; Yeh, Hsien-Te; Chang, Tsung-Yi; Lee, Gene-Hsiang","Novel Coordinated-Solvent Induced Assembly of Cd(II) Coordination Polymers Containing 4,4′-Dipyridylsulfide","Crystal Growth & Design","2009","9","6","2552","","10.1021/cg900119a","","","0.71073","MoKα","","0.0407","0.0364","","","0.0853","0.0872","","","","","","1.059","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509470","17.48","0.004","11.444","0.003","17.45","0.005","90","","90","","90","","3490.7","1.6","169","2","169","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H31 N5 Ni2 O15 V4 -","- C25 H31 N5 Ni2 O15 V4 -","- C100 H124 N20 Ni8 O60 V16 -","4","1","","Khan, M. Ishaque; Nome, Renata C.; Deb, Sangita; McNeely, James H.; Cage, Brant; Doedens, Robert J.","Inorganic−Organic Hybrid Materials with Novel Framework Structures: Synthesis, Structure, and Magnetic Properties of [Ni(py)4]2V10O29and [Ni2(py)5(H2O)3]V4O12","Crystal Growth & Design","2009","9","6","2848","","10.1021/cg9001237","","","0.71073","MoKα","","0.0209","0.0188","","","0.0469","0.0477","","","","","","1.105","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509471","11.306","0.011","26.46","0.03","16.82","0.017","90","","107.31","0.08","90","","4804","9","175","2","175","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 N8 Ni2 O14.5 V5 -","- C40 H40 N8 Ni2 O14.5 V5 -","- C160 H160 N32 Ni8 O58 V20 -","4","1","","Khan, M. Ishaque; Nome, Renata C.; Deb, Sangita; McNeely, James H.; Cage, Brant; Doedens, Robert J.","Inorganic−Organic Hybrid Materials with Novel Framework Structures: Synthesis, Structure, and Magnetic Properties of [Ni(py)4]2V10O29and [Ni2(py)5(H2O)3]V4O12","Crystal Growth & Design","2009","9","6","2848","","10.1021/cg9001237","","","0.71073","MoKα","","0.0669","0.0521","","","0.1297","0.1373","","","","","","1.191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509472","11.5446","0.0008","13.849","0.0009","19.5595","0.0012","74.04","0.004","74.896","0.004","70.509","0.004","2784.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H92 Fe2 Mn2 N20 O8 -","- C130 H92 Fe2 Mn2 N20 O8 -","- C130 H92 Fe2 Mn2 N20 O8 -","1","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Kou, Hui-Zhong; Jiang, Jianzhuang; Ni, Zhong-Hai","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged Fe(III)−Mn(III) Complexes Based on Manganese(III)-Porphyrin and Pyridinecarboxamide Dicyanideiron(III) Building Blocks","Crystal Growth & Design","2009","9","9","3989","","10.1021/cg9001253","","","0.71073","MoKα","","0.0523","0.0435","","","0.1239","0.1331","","","","","","1.009","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509473","15.0315","0.0004","19.8206","0.0005","21.2592","0.0006","69.401","0.001","81.177","0.001","87.472","0.001","5858.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H108 Fe2 Mn2 N20 O10 -","- C136 H108 Fe2 Mn2 N20 O10 -","- C272 H216 Fe4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Kou, Hui-Zhong; Jiang, Jianzhuang; Ni, Zhong-Hai","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged Fe(III)−Mn(III) Complexes Based on Manganese(III)-Porphyrin and Pyridinecarboxamide Dicyanideiron(III) Building Blocks","Crystal Growth & Design","2009","9","9","3989","","10.1021/cg9001253","","","0.71073","MoKα","","0.0822","0.0551","","","0.1588","0.1857","","","","","","1.031","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509474","16.9523","0.0004","17.3121","0.0004","21.9857","0.0006","90","","98.626","0.002","90","","6379.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H44 Fe Mn N14 O14 -","- C64 H44 Fe Mn N14 O14 -","- C256 H176 Fe4 Mn4 N56 O56 -","4","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Kou, Hui-Zhong; Jiang, Jianzhuang; Ni, Zhong-Hai","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged Fe(III)−Mn(III) Complexes Based on Manganese(III)-Porphyrin and Pyridinecarboxamide Dicyanideiron(III) Building Blocks","Crystal Growth & Design","2009","9","9","3989","","10.1021/cg9001253","","","0.71073","MoKα","","0.0757","0.0607","","","0.1793","0.195","","","","","","1.032","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509475","16.054","0.002","17.957","0.002","24.657","0.004","90","","99.08","0.009","90","","7019.1","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C133 H92 Cl8 Fe2 Mn2 N20 O9 -","- C133 H92 Cl8 Fe2 Mn2 N20 O9 -","- C266 H184 Cl16 Fe4 Mn4 N40 O18 -","2","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Kou, Hui-Zhong; Jiang, Jianzhuang; Ni, Zhong-Hai","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged Fe(III)−Mn(III) Complexes Based on Manganese(III)-Porphyrin and Pyridinecarboxamide Dicyanideiron(III) Building Blocks","Crystal Growth & Design","2009","9","9","3989","","10.1021/cg9001253","","","0.71073","MoKα","","0.1065","0.067","","","0.1822","0.2264","","","","","","1.028","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509476","16.583","0.004","18.241","0.004","24.507","0.007","90","","96.684","0.005","90","","7363","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H70 Fe Mn N10 O11 -","- C74 H70 Fe Mn N10 O11 -","- C296 H280 Fe4 Mn4 N40 O44 -","4","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Kou, Hui-Zhong; Jiang, Jianzhuang; Ni, Zhong-Hai","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged Fe(III)−Mn(III) Complexes Based on Manganese(III)-Porphyrin and Pyridinecarboxamide Dicyanideiron(III) Building Blocks","Crystal Growth & Design","2009","9","9","3989","","10.1021/cg9001253","","","0.71073","MoKα","","0.096","0.0579","","","0.1624","0.1871","","","","","","1.051","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509477","9.4797","0.0001","24.5286","0.0003","29.9221","0.0004","90","","97.281","0.001","90","","6901.5","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H73 Fe Mn N14 O6.5 -","- C74 H73 Fe Mn N14 O6.5 -","- C296 H292 Fe4 Mn4 N56 O26 -","4","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Kou, Hui-Zhong; Jiang, Jianzhuang; Ni, Zhong-Hai","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged Fe(III)−Mn(III) Complexes Based on Manganese(III)-Porphyrin and Pyridinecarboxamide Dicyanideiron(III) Building Blocks","Crystal Growth & Design","2009","9","9","3989","","10.1021/cg9001253","","","0.71073","MoKα","","0.1432","0.0856","","","0.1631","0.1974","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509478","15.254","0.003","15.472","0.003","15.524","0.003","90","","119.36","0.03","90","","3193.2","1.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 Ba3 N4 O22 Sm2 -","- C28 H8 Ba3 N4 O22 Sm2 -","- C112 H32 Ba12 N16 O88 Sm8 -","4","1","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0403","0.0321","","","0.062","0.0656","","","","","","1.089","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509479","11.1975","0.0019","11.4686","0.0015","15.8001","0.0019","90","","106.314","0.001","90","","1947.3","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11.25 H7 Ba2 Lu O16.25 -","- C11.25 H8 Ba2 Lu O16.25 -","- C45 H32 Ba8 Lu4 O65 -","4","1","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0447","0.0386","","","0.097","0.0994","","","","","","1.134","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509480","7.9247","0.0012","10.2187","0.0015","9.5383","0.0014","90","","90","","90","","772.4","0.2","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H2 Nd O6 -","- C7 H2 Nd O6 -","- C28 H8 Nd4 O24 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0242","0.0219","","","0.0579","0.0589","","","","","","1.166","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509481","11.484","0.002","12.5","0.002","15.79","0.003","102.815","0.003","105.458","0.003","90.378","0.003","2125","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H42.75 Ba2 Dy N3 O32.375 -","- C21 H8 Ba2 Dy N3 O32.38 -","- C42 H16 Ba4 Dy2 N6 O64.76 -","2","1","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0758","0.0471","","","0.1058","0.119","","","","","","1.057","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509482","7.9263","0.0014","10.2173","0.0018","9.5413","0.0017","90","","90","","90","","772.7","0.2","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H2 O6 Sm -","- C7 H2 O6 Sm -","- C28 H8 O24 Sm4 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0256","0.0247","","","0.0624","0.063","","","","","","1.109","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509483","7.9153","0.0018","10.228","0.002","9.528","0.002","90","","90","","90","","771.4","0.3","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H2 O6 Pr -","- C7 H2 O6 Pr -","- C28 H8 O24 Pr4 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0218","0.0191","","","0.0519","0.0535","","","","","","1.163","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509484","21.507","0.002","6.8401","0.0008","16.2843","0.0019","90","","120.453","0.002","90","","2065.1","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 O10 Pr -","- C8 H7 O10 Pr -","- C64 H56 O80 Pr8 -","8","1","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0307","0.0278","","","0.0635","0.0649","","","","","","1.295","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509485","19.476","0.005","10.024","0.003","4.306","0.0012","90","","90","","90","","840.6","0.4","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H4 Ho O7 -","- C7 H2 Ho O7 -","- C28 H8 Ho4 O28 -","4","0.5","","Fang, Ming; Chang, Lixian; Liu, Xuhui; Zhao, Bin; Zuo, Ya; Chen, Zhi","Fabrication and Properties of Eight Novel Lanthanide−Organic Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and 4-Hydroxypyridine-2,6-dicarboxylate","Crystal Growth & Design","2009","9","9","4006","","10.1021/cg900146y","","","0.71073","MoKα","","0.0404","0.0358","","","0.0961","0.1009","","","","","","1.127","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509486","43.622","0.004","43.622","0.004","43.622","0.004","90","","90","","90","","83007","13","293","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H92.5 O53.25 Zn7 -","- C72 H54 O53.25 Zn7 -","- C1152 H864 O852 Zn112 -","16","0.0833333","","Wu, Mingyan; Jiang, Feilong; Wei, Wei; Gao, Qiang; Huang, Yougui; Chen, Lian; Hong, Maochun","A Porous Polyhedral Metal-Organic Framework Based on Zn2(COO)3and Zn2(COO)4SBUs","Crystal Growth & Design","2009","9","6","2559","","10.1021/cg900153m","","","0.71073","MoKα","","0.1793","0.171","","","0.4528","0.4604","","","","","","1.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509487","27.305","0.0014","27.305","0.0014","77.304","0.008","90","","90","","120","","49913","6","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C321 H228 Ag8 F48 N12 O6 S18 Sb8 -","- C321 H228 Ag8 F48 N12 O6 S18 Sb8 -","- C1926 H1368 Ag48 F288 N72 O36 S108 Sb48 -","6","0.166667","","Sun, Yan-Qiong; Yang, Chen; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.","Networks of Hexagonal Hierarchy from a Self-Similar Tritopic Molecule","Crystal Growth & Design","2009","9","4","1663","","10.1021/cg9001863","","","0.71073","MoKα","","0.1657","0.1048","","","0.3027","0.3445","","","","","","1.05","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509488","13.4503","0.0003","13.4503","0.0003","21.212","0.0008","90","","90","","90","","3837.48","0.19","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H24 N4 O5 Zn -","- C17 H24 N4 O5 Zn -","- C136 H192 N32 O40 Zn8 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0325","0.0266","","","0.061","0.0634","","","","","","1.044","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509489","18.3051","0.0005","18.6004","0.0005","13.0542","0.0004","90","","90","","90","","4444.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H30 N4 O5 Zn -","- C19 H30 N4 O5 Zn -","- C152 H240 N32 O40 Zn8 -","8","2","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0534","0.042","","","0.0978","0.1041","","","","","","1.055","","","","has coordinates,has disorder","179630","2020-10-21","18:00:00",""
"4509490","19.2673","0.0007","8.3095","0.0003","22.2571","0.0013","90","","96.927","0.001","90","","3537.4","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H20 N4 O4 Zn -","- C15 H20 N4 O4 Zn -","- C120 H160 N32 O32 Zn8 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0555","0.0402","","","0.1005","0.1101","","","","","","1.027","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509491","15.5048","0.0004","9.854","0.0002","24.3284","0.0006","90","","90","","90","","3717","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N4 O4 Zn -","- C16 H22 N4 O4 Zn -","- C128 H176 N32 O32 Zn8 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0445","0.0299","","","0.0775","0.0851","","","","","","1.035","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509492","8.5731","0.0003","15.4267","0.0005","13.0059","0.0004","90","","98.754","0.001","90","","1700.05","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N4 O4 Zn -","- C15 H18 N4 O4 Zn -","- C60 H72 N16 O16 Zn4 -","4","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0341","0.0281","","","0.0717","0.0755","","","","","","1.037","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509493","10.745","0.0004","12.0948","0.0004","12.7678","0.0004","90","","102.533","0.001","90","","1619.75","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O4.1 Zn -","- C14 H18 N4 O4.1 Zn -","- C56 H72 N16 O16.4 Zn4 -","4","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0357","0.0283","","","0.0702","0.0749","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509494","22.13","0.003","8.7473","0.0011","15.3325","0.0019","90","","111.525","0.002","90","","2761","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Dimethylaminopyridinium phthalate","4-dimethylaminopyridinium phthalate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.","Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids","Crystal Growth & Design","2009","9","6","2881","","10.1021/cg9001994","","","0.71073","MoKα","","0.0698","0.0505","","","0.1181","0.1287","","","","","","1.034","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509495","13.127","0.003","7.599","0.002","12.576","0.003","90","","114.237","0.004","90","","1143.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminopyridinium maleate","4-dimethylaminopyridinium maleate","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","","Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.","Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids","Crystal Growth & Design","2009","9","6","2881","","10.1021/cg9001994","","","0.71073","MoKα","","0.0995","0.0608","","","0.1244","0.1396","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509496","6.9285","0.0007","15.7989","0.0016","9.6739","0.001","90","","110.646","0.002","90","","990.92","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-dimethylaminopyridinium terephthalate","4-dimethylaminopyridinium terephthalate","","- C11 H13 N2 O2 -","- C11 H13 N2 O2 -","- C44 H52 N8 O8 -","4","1","","Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.","Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids","Crystal Growth & Design","2009","9","6","2881","","10.1021/cg9001994","","","0.71073","MoKα","","0.0562","0.0492","","","0.1266","0.1333","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509497","18.07","0.003","31.806","0.005","6.8941","0.001","90","","90","","90","","3962.3","1.1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","4-dimethylaminopyridinium isophthalate","4-dimethylaminopyridinium isophthalate","","- C11 H13 N2 O2 -","- C11 H13 N2 O2 -","- C176 H208 N32 O32 -","16","1","","Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.","Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids","Crystal Growth & Design","2009","9","6","2881","","10.1021/cg9001994","","","0.71073","MoKα","","0.0483","0.0396","","","0.0994","0.1039","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509498","7.4036","0.0013","8.1567","0.0014","10.1469","0.0017","81.381","0.003","89.228","0.003","70.789","0.003","571.68","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-Dimethylaminopyridinium fumarate-fumaric","4-dimethylaminopyridinium fumarate-fumaric acid","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C22 H28 N4 O8 -","2","1","","Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.","Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids","Crystal Growth & Design","2009","9","6","2881","","10.1021/cg9001994","","","0.71073","MoKα","","0.062","0.0463","","","0.112","0.1213","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509499","3.8195","0.0006","10.2834","0.0015","17.067","0.003","90","","91.436","0.003","90","","670.14","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyridine fumaric acid","Pyridine fumaric acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","0.5","","Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.","Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids","Crystal Growth & Design","2009","9","6","2881","","10.1021/cg9001994","","","0.71073","MoKα","","0.0504","0.0408","","","0.1015","0.1067","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509500","12.989","0.003","10.899","0.002","6.867","0.001","90","","110.54","0.03","90","","910.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-bipyrazolium chloride","","- C6 H8 Cl2 N4 -","- C6 H8 Cl2 N4 -","- C24 H32 Cl8 N16 -","4","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0353","0.0297","","","0.0808","0.0844","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509501","13.82","0.003","7.521","0.0015","5.232","0.001","90","","108.97","0.03","90","","514.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","4,4'-bipyrazolium iodide","","- C6 H8 I2 N4 -","- C6 H8 I2 N4 -","- C12 H16 I4 N8 -","2","0.25","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0319","0.0314","","","0.0857","0.086","","","","","","1.24","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509502","10.1871","0.0014","7.4055","0.001","14.18","0.002","90","","109.302","0.002","90","","1009.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyrazolium triiodide, dihydrate","","- C6 H12 I6 N4 O2 -","- C6 H12 I6 N4 O2 -","- C12 H24 I12 N8 O4 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.034","0.0307","","","0.075","0.0765","","","","","","1.156","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509503","14.7142","0.0011","4.6255","0.0004","14.4131","0.0011","90","","102.111","0.002","90","","959.13","0.13","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-bipyrazolium trifluoroberyllate","","- C6 H8 Be2 F6 N4 -","- C6 H8 Be2 F6 N4 -","- C24 H32 Be8 F24 N16 -","4","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0379","0.0349","","","0.0924","0.0944","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509504","3.878","0.001","9.271","0.002","10.716","0.002","112.27","0.01","95.9","0.01","101.7","0.02","342.2","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4,4-bipyrazolium hexachlorodicuprate(II)","","- C6 H8 Cl6 Cu2 N4 -","- C6 H8 Cl6 Cu2 N4 -","- C6 H8 Cl6 Cu2 N4 -","1","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71069","MoKα","","0.0237","0.0205","","","0.0557","0.0572","","","","","","1.082","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509505","4.6833","0.0001","10.6295","0.0005","11.1391","0.0005","90","","91.255","0.002","90","","554.38","0.04","293","","293","","","","","","","","Reaction of organic base with palladium(II) chloride and hydrochloric acid in water solution","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyrazolium tetrachloropalladate(II)","","- C6 H8 Cl4 N4 Pd -","- C6 H8 Cl4 N4 Pd -","- C12 H16 Cl8 N8 Pd2 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","","0.0585","","","","0.0574","","","","","","0.8489","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509506","6.54","0.003","10.739","0.003","6.74","0.003","90","","90","","90","","473.4","0.3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","4,4'-bipyrazolium hexafluorosilicate","","- C6 H8 F6 N4 Si -","- C6 H8 F6 N4 Si -","- C12 H16 F12 N8 Si2 -","2","0.125","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0338","0.0292","","","0.076","0.0789","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509507","5.263","0.0005","13.6973","0.0014","10.6349","0.0011","90","","102.984","0.002","90","","747.06","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-bipyrazolium hexafluorotantalate(V)","","- C6 H8 F12 N4 Ta2 -","- C6 H8 F12 N4 Ta2 -","- C12 H16 F24 N8 Ta4 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0329","0.029","","","0.0723","0.0742","","","","","","1.08","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509508","7.438","0.001","13.995","0.003","10.415","0.002","90","","109.85","0.03","90","","1019.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyrazolium dodecafluorodizirconate(IV)","","- C12 H16 F12 N8 Zr2 -","- C12 H16 F12 N8 Zr2 -","- C24 H32 F24 N16 Zr4 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0348","0.0261","","","0.0668","0.071","","","","","","1.046","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509509","6.4276","0.0007","15.9365","0.0016","15.5925","0.0016","90","","90","","90","","1597.2","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4-bipyrazolium octachlorodirhenate(III)","","- C6 H8 Cl8 N4 Re2 -","- C6 H8 Cl8 N4 Re2 -","- C24 H32 Cl32 N16 Re8 -","4","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0239","0.0208","","","0.0489","0.0496","","","","","","1.178","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509510","9.923","0.002","20.399","0.004","10.364","0.002","90","","97.15","0.03","90","","2081.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,4'-bipyrazolium iodate(V), 3:1:1 adduct with iodic acid and water","","- C18 H26 I8 N12 O26 -","- C18 H26 I8 N12 O26 -","- C36 H52 I16 N24 O52 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0424","0.0257","","","0.0666","0.0713","","","","","","1.059","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509511","5.1021","0.0007","13.9416","0.0019","8.3028","0.0011","90","","100.191","0.004","90","","581.27","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-bipyrazolium perchlorate","","- C6 H8 Cl2 N4 O8 -","- C6 H8 Cl2 N4 O8 -","- C12 H16 Cl4 N8 O16 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","x-ray","0.71073","MoKα","","0.0425","0.0383","","","0.0937","0.0962","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509512","7.6813","0.0002","9.3288","0.0002","9.6311","0.0003","70.297","0.002","88.267","0.003","69.397","0.002","605.11","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","4,4'-bipyrazolium hydrogen sulfate","","- C6 H10 N4 O8 S2 -","- C6 H10 N4 O8 S2 -","- C12 H20 N8 O16 S4 -","2","1","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0537","0.0341","","","0.0751","0.0819","","","","","","0.987","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509513","4.9012","0.0015","17.3651","0.0014","7.7703","0.0012","90","","106.61","0.03","90","","633.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyrazolium dihydrogen phosphate","","- C6 H12 N4 O8 P2 -","- C6 H12 N4 O8 P2 -","- C12 H24 N8 O16 P4 -","2","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0444","0.0332","","","0.0874","0.0915","","","","","","1.161","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509514","7.8851","0.0013","10.3664","0.0006","13.0627","0.0013","90","","98.266","0.009","90","","1056.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-bipyrazolium dithionate","","- C6 H8 N4 O6 S2 -","- C6 H8 N4 O6 S2 -","- C24 H32 N16 O24 S8 -","4","0.5","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71069","MoKα","","0.0591","0.0341","","","0.08","0.0882","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509515","11.0058","0.0005","11.0058","0.0005","20.8311","0.0011","90","","90","","90","","2523.2","0.2","223","2","223","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolium octachlorodirhenate(III), Dihydrate","","- C10 H20 Cl8 N4 O2 Re2 -","- C10 H20 Cl8 N4 O2 Re2 -","- C40 H80 Cl32 N16 O8 Re8 -","4","0.25","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0452","0.0302","","","0.0702","0.0759","","","","","","1.088","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509516","10.936","0.002","11.701","0.002","14.855","0.003","90","","110.93","0.03","90","","1775.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolium Dithionate, Dihydrate","","- C10 H20 N4 O8 S2 -","- C10 H20 N4 O8 S2 -","- C40 H80 N16 O32 S8 -","4","1","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0761","0.0402","","","0.1137","0.1262","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509517","8.624","0.002","10.773","0.002","11.685","0.003","116.12","0.03","100.45","0.02","102.28","0.03","904.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolium Perchlorate, Monohydrate","","- C10 H18 Cl2 N4 O9 -","- C10 H18 Cl2 N4 O9 -","- C20 H36 Cl4 N8 O18 -","2","1","","Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.","Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts","Crystal Growth & Design","2009","9","6","2895","","10.1021/cg9002109","","","0.71073","MoKα","","0.0914","0.0807","","","0.2156","0.2239","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509518","16.7134","0.0002","16.7134","0.0002","30.8966","0.0006","90","","90","","90","","8630.6","0.2","296","2","296","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C72 H38 N8 O13 Zn3 -","- C72 H38 N8 O13 Zn3 -","- C144 H76 N16 O26 Zn6 -","2","0.125","","Chung, Haemi; Barron, Paul M.; Novotny, Richard W.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Structural Variation in Porphyrin Pillared Homologous Series: Influence of Distinct Coordination Centers for Pillars on Framework Topology","Crystal Growth & Design","2009","9","7","3327","","10.1021/cg900220g","","","0.71073","MoKα","","0.0539","0.0472","","","0.1341","0.1384","","","","","","1.01","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509519","22.2897","0.0009","16.8927","0.0007","16.4976","0.0007","90","","104.079","0.002","90","","6025.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C72 H38 N8 O13 Zn3 -","- C72 H38 N8 O13 Zn3 -","- C144 H76 N16 O26 Zn6 -","2","0.25","","Chung, Haemi; Barron, Paul M.; Novotny, Richard W.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Structural Variation in Porphyrin Pillared Homologous Series: Influence of Distinct Coordination Centers for Pillars on Framework Topology","Crystal Growth & Design","2009","9","7","3327","","10.1021/cg900220g","","","0.71073","MoKα","","0.0493","0.0466","","","0.1511","0.1543","","","","","","1.145","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509520","16.7065","0.0006","16.7065","0.0006","87.68","0.006","90","","90","","90","","24472","2","296","2","296","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C84 H42 N10 O14 Zn3 -","- C84 H42 N10 O14 Zn3 -","- C336 H168 N40 O56 Zn12 -","4","0.125","","Chung, Haemi; Barron, Paul M.; Novotny, Richard W.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Structural Variation in Porphyrin Pillared Homologous Series: Influence of Distinct Coordination Centers for Pillars on Framework Topology","Crystal Growth & Design","2009","9","7","3327","","10.1021/cg900220g","","","0.71073","MoKα","","0.086","0.0644","","","0.1761","0.1909","","","","","","1.033","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509521","16.679","0.0004","16.679","0.0004","71.0521","0.0018","90","","90","","90","","19765.9","0.8","296","2","296","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C66 H36 N13 O8 Zn3 -","- C66 H36 N13 O8 Zn3 -","- C264 H144 N52 O32 Zn12 -","4","0.125","","Chung, Haemi; Barron, Paul M.; Novotny, Richard W.; Son, Hyun-Tak; Hu, Chunhua; Choe, Wonyoung","Structural Variation in Porphyrin Pillared Homologous Series: Influence of Distinct Coordination Centers for Pillars on Framework Topology","Crystal Growth & Design","2009","9","7","3327","","10.1021/cg900220g","","","0.71073","MoKα","","0.098","0.0704","","","0.2208","0.2369","","","","","","1.077","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509522","9.466","0.0019","15.576","0.003","17.409","0.003","111.45","0.03","99.7","0.03","102.66","0.03","2241.9","1.1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag F6 N8 O4 P -","- C50 H29.997 Ag F6 N8 O4 P -","- C100 H59.994 Ag2 F12 N16 O8 P2 -","2","1","","Hollis, Courtney A.; Hanton, Lyall R.; Morris, Jonathan C.; Sumby, Christopher J.","2-D Coordination Polymers of Hexa(4-cyanophenyl)[3]-radialene and Silver(I): Anion···π-Interactions and Radialene C−H···Anion Hydrogen Bonds in the Solid-State Interactions of Hexaaryl[3]-radialenes with Anions","Crystal Growth & Design","2009","9","6","2911","","10.1021/cg9002302","","","0.71073","MoKα","","0.09","0.0627","","","0.1611","0.1803","","","","","","1.068","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509523","9.249","0.002","15.369","0.004","17.205","0.006","112.192","0.015","99.282","0.016","102.291","0.011","2132.2","1.1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H30 Ag Cl N8 O8 -","- C50 H30 Ag Cl N8 O8 -","- C100 H60 Ag2 Cl2 N16 O16 -","2","1","","Hollis, Courtney A.; Hanton, Lyall R.; Morris, Jonathan C.; Sumby, Christopher J.","2-D Coordination Polymers of Hexa(4-cyanophenyl)[3]-radialene and Silver(I): Anion···π-Interactions and Radialene C−H···Anion Hydrogen Bonds in the Solid-State Interactions of Hexaaryl[3]-radialenes with Anions","Crystal Growth & Design","2009","9","6","2911","","10.1021/cg9002302","","","0.71073","MoKα","","0.0705","0.0529","","","0.1449","0.1624","","","","","","1.043","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509524","13.3943","0.0003","16.2129","0.0004","19.7183","0.0005","90","","96.844","0.002","90","","4251.52","0.18","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 F6 N10 O6 S2 Zn -","- C40 H34 F6 N10 O6 S2 Zn -","- C160 H136 F24 N40 O24 S8 Zn4 -","4","0.5","","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; Petit, Eddy; Lee, Arie van der","Metallosupramolecular Architectures of Pseudoterpyridine-Type Ligands and ZnIIMetal Ions","Crystal Growth & Design","2009","9","6","2917","","10.1021/cg9002466","","","0.71073","MoKα","","0.1259","0.0587","","0.0736","0.0526","0.0526","","","","","","1.1084","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509525","11.0531","0.0008","15.7333","0.0009","15.8447","0.0012","106.704","0.003","106.742","0.003","96.247","0.004","2471.5","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 F6 N10 O13 S2 Zn -","- C44 H40 F6 N10 O13 S2 Zn -","- C88 H80 F12 N20 O26 S4 Zn2 -","2","1","","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; Petit, Eddy; Lee, Arie van der","Metallosupramolecular Architectures of Pseudoterpyridine-Type Ligands and ZnIIMetal Ions","Crystal Growth & Design","2009","9","6","2917","","10.1021/cg9002466","","","0.50915","synchrotron","","0.0777","0.0472","","0.0722","0.0512","0.0512","","","","","","1.0861","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509526","25.07","0.005","12.744","0.003","22.335","0.005","90","","115.135","0.004","90","","6460","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H146 Ho2 N10 O91 P2 W22 -","- C44 H120 Ho2 N10 O92 P2 W22 -","- C88 H240 Ho4 N20 O184 P4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.0898","0.0482","","","0.1065","0.1296","","","","","","1.009","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509527","24.881","0.016","12.573","0.008","22.116","0.014","90","","115.462","0.009","90","","6247","7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H146 Gd2 N10 O92 P2 W22 -","- C44 H126 Gd2 N10 O92 P2 W22 -","- C88 H252 Gd4 N20 O184 P4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.1276","0.0579","","","0.1192","0.1454","","","","","","1","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509528","13.0146","0.0008","22.2158","0.0013","21.0096","0.0012","90","","101.026","0.001","90","","5962.4","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H98 Gd2 N6 O90 P2 W22 -","- C24 H72 Gd2 N6 O90 P2 W22 -","- C48 H144 Gd4 N12 O180 P4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.0896","0.0506","","","0.0817","0.0889","","","","","","0.901","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509529","25.201","0.0015","12.7295","0.0007","22.3888","0.0013","90","","115.356","0.001","90","","6490.3","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H146 Er2 N10 O92 P2 W22 -","- C44 H126 Er2 N10 O92 P2 W22 -","- C88 H252 Er4 N20 O184 P4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.0641","0.0383","","","0.0934","0.1054","","","","","","1.007","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509530","25.177","0.003","12.7367","0.0018","22.305","0.003","90","","115.199","0.002","90","","6471.9","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H146 Eu2 N10 O92 P2 W22 -","- C44 H126 Eu2 N10 O92 P2 W22 -","- C88 H252 Eu4 N20 O184 P4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.0814","0.0441","","","0.0694","0.0763","","","","","","0.995","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509531","13.028","0.002","22.133","0.004","20.933","0.004","90","","100.696","0.003","90","","5931.1","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H102 N6 Nd2 O92 P2 W22 -","- C24 H72 N6 Nd2 O92 P2 W22 -","- C48 H144 N12 Nd4 O184 P4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.095","0.0588","","","0.121","0.1313","","","","","","1.009","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509532","25.0043","0.0017","12.7529","0.0009","22.2642","0.0016","90","","114.694","0.001","90","","6450.3","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H142 N10 O90 P2 Tb2 W22 -","- C44 H126 N10 O90 P2 Tb2 W22 -","- C88 H252 N20 O180 P4 Tb4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.0695","0.0402","","","0.0842","0.0917","","","","","","1.008","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509533","25.229","0.003","12.7407","0.0015","22.394","0.003","90","","115.473","0.002","90","","6498.5","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H142 N10 O90 P2 Sm2 W22 -","- C44 H126 N10 O90 P2 Sm2 W22 -","- C88 H252 N20 O180 P4 Sm4 W44 -","2","0.5","","Niu, Jingyang; Wang, Kaihua; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping; Li, Mingxue; Bai, Yan; Dang, Dongbin","Assembly Chemistry between Lanthanide Cations and Monovacant Keggin Polyoxotungstates: Two Types of Lanthanide Substituted Phosphotungstates [{(α-PW11O39H)Ln(H2O)3}2]6−and [{(α-PW11O39)Ln(H2O)(η2,μ-1,1)-CH3COO}2]10−","Crystal Growth & Design","2009","9","10","4362","","10.1021/cg900248j","","","0.71073","MoKα","","0.0809","0.0495","","","0.1034","0.1106","","","","","","1.005","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509534","8.2499","0.0016","12.37","0.003","19.628","0.005","90","","108.48","0.03","90","","1899.8","0.8","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Co N4 O4 -","- C20 H21 Co N4 O4 -","- C80 H84 Co4 N16 O16 -","4","1","","Sun, Li-Xin; Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min","Three Unprecedented Entangled Metal−Organic Frameworks: Self-Penetration and Hydrothermal in Situ Ligand Formation","Crystal Growth & Design","2009","9","7","2995","","10.1021/cg9002719","","x-ray","0.71073","MoKα","","0.0594","0.0377","","","0.0804","0.0885","","","","","","1.024","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509535","11.115","0.002","20.78","0.004","9.91","0.002","90","","90","","90","","2288.9","0.8","296","2","298","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C21 H12 Co N2 O4 -","- C21 H12 Co N2 O4 -","- C84 H48 Co4 N8 O16 -","4","0.5","","Sun, Li-Xin; Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min","Three Unprecedented Entangled Metal−Organic Frameworks: Self-Penetration and Hydrothermal in Situ Ligand Formation","Crystal Growth & Design","2009","9","7","2995","","10.1021/cg9002719","","x-ray","0.71073","MoKα","","0.0989","0.0831","","","0.2632","0.2824","","","","","","1.019","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509536","8.2795","0.0017","12.504","0.003","19.464","0.005","90","","108.73","0.03","90","","1908.3","0.8","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N4 O4 Zn -","- C20 H21 N4 O4 Zn -","- C80 H84 N16 O16 Zn4 -","4","1","","Sun, Li-Xin; Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min","Three Unprecedented Entangled Metal−Organic Frameworks: Self-Penetration and Hydrothermal in Situ Ligand Formation","Crystal Growth & Design","2009","9","7","2995","","10.1021/cg9002719","","x-ray","0.71073","MoKα","","0.0462","0.0337","","","0.0787","0.0836","","","","","","1.054","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509537","19.418","0.002","19.418","0.002","7.5446","0.0009","90","","90","","120","","2463.6","0.5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C13 H18 Cl N3 O3 S -","- C13.01 H18.02 Cl N3 O3 S -","- C78.06 H108.12 Cl6 N18 O18 S6 -","6","0.5","","Comotti, Angiolina; Bracco, Silvia; Sozzani, Piero; Hawxwell, Samuel M.; Hu, Chunhua; Ward, Michael D.","Guest Molecules Confined in Amphipathic Crystals as Revealed by X-ray Diffraction and MAS NMR†","Crystal Growth & Design","2009","9","7","2999","","10.1021/cg900282k","","","0.71073","MoKα","","0.0777","0.0549","","","0.1298","0.1472","","","","","","1.105","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509538","19.328","0.006","19.328","0.006","7.616","0.002","90","","90","","120","","2463.9","1.3","299","2","299","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12.33 H16.67 Cl N3 O3 S -","- C12.38 H17.34 Cl N3 O3 S -","- C74.28 H104.04 Cl6 N18 O18 S6 -","6","0.5","","Comotti, Angiolina; Bracco, Silvia; Sozzani, Piero; Hawxwell, Samuel M.; Hu, Chunhua; Ward, Michael D.","Guest Molecules Confined in Amphipathic Crystals as Revealed by X-ray Diffraction and MAS NMR†","Crystal Growth & Design","2009","9","7","2999","","10.1021/cg900282k","","","0.71073","MoKα","","0.074","0.0639","","","0.1829","0.1963","","","","","","1.109","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509539","19.0746","0.0006","19.0746","0.0006","7.6483","0.0003","90","","90","","120","","2409.94","0.14","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12.33 H16.67 Cl N3 O3 S -","- C12.37 H17.34 Cl N3 O3 S -","- C74.22 H104.04 Cl6 N18 O18 S6 -","6","0.5","","Comotti, Angiolina; Bracco, Silvia; Sozzani, Piero; Hawxwell, Samuel M.; Hu, Chunhua; Ward, Michael D.","Guest Molecules Confined in Amphipathic Crystals as Revealed by X-ray Diffraction and MAS NMR†","Crystal Growth & Design","2009","9","7","2999","","10.1021/cg900282k","","","0.71073","MoKα","","0.0852","0.0588","","","0.1451","0.1663","","","","","","1.097","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509540","19.373","0.004","22.202","0.004","21.804","0.004","90","","105.66","0.03","90","","9030","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H102.5 Mn6 N6 Na O20.75 -","- C73 H96 Mn6 N6 Na O20.75 -","- C292 H384 Mn24 N24 Na4 O83 -","4","1","","Yang, Pei-Pei; Song, Hai-Bin; Gao, Xi-Feng; Li, Li-Cun; Liao, Dai-Zheng","Syntheses, Crystal Structures, and Magnetic Properties of Two Cyclic Clusters Comprising Six Iron(III)/Manganese(III) Ions and Entrapping Sodium Ions","Crystal Growth & Design","2009","9","9","4064","","10.1021/cg9002884","","","0.71073","MoKα","","0.1459","0.1026","","","0.2589","0.2944","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509541","23.178","0.005","24.882","0.005","28.509","0.006","90","","90","","90","","16442","6","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C75 H101.5 Fe6 N7.5 Na O19 -","- C75 H96 Fe6 N7.5 Na O19 -","- C600 H768 Fe48 N60 Na8 O152 -","8","1","","Yang, Pei-Pei; Song, Hai-Bin; Gao, Xi-Feng; Li, Li-Cun; Liao, Dai-Zheng","Syntheses, Crystal Structures, and Magnetic Properties of Two Cyclic Clusters Comprising Six Iron(III)/Manganese(III) Ions and Entrapping Sodium Ions","Crystal Growth & Design","2009","9","9","4064","","10.1021/cg9002884","","","0.71073","MoKα","","0.0744","0.0557","","","0.1624","0.1768","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509542","12.3829","0.00003","12.8387","0.00003","23.5343","0.0004","100.617","0.0003","95.7297","0.0003","107.385","0.0003","3461.27","0.06","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H58 Eu N3 O12 P2 -","- C84 H58 Eu N3 O12 P2 -","- C168 H116 Eu2 N6 O24 P4 -","2","1","","Biju, S.; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V.","Molecular Ladders of Lanthanide-3-phenyl-4-benzoyl-5-isoxazolonate and Bis(2-(diphenylphosphino)phenyl) Ether Oxide Complexes: The Role of the Ancillary Ligand in the Sensitization of Eu3+and Tb3+Luminescence","Crystal Growth & Design","2009","9","8","3562","","10.1021/cg900304g","","","0.71073","MoKα","","0.1","0.0524","","","0.0861","0.0993","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509543","12.377","0.003","12.833","0.003","23.51","0.005","100.58","0.03","95.75","0.03","107.52","0.03","3452","1.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H58 N3 O12 P2 Tb -","- C84 H58 N3 O12 P2 Tb -","- C168 H116 N6 O24 P4 Tb2 -","2","1","","Biju, S.; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V.","Molecular Ladders of Lanthanide-3-phenyl-4-benzoyl-5-isoxazolonate and Bis(2-(diphenylphosphino)phenyl) Ether Oxide Complexes: The Role of the Ancillary Ligand in the Sensitization of Eu3+and Tb3+Luminescence","Crystal Growth & Design","2009","9","8","3562","","10.1021/cg900304g","","","0.71073","MoKα","","0.1151","0.064","","","0.1009","0.1157","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509544","12.105","0.004","12.533","0.003","39.051","0.005","97.47","0.02","90.39","0.02","94.84","0.02","5852","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C116 H206 O17 P4 -","- C116 H206 O17 P4 -","- C232 H412 O34 P8 -","2","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Raston, Colin L.","Organization of Lower RimO-Alkylatedp-Phosphonic Acid Calix[4]arenes","Crystal Growth & Design","2009","9","8","3575","","10.1021/cg900315h","","","0.71073","MoKα","","0.285","0.1954","","","0.4051","0.4539","","","","","","1.156","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509545","13.0809","0.0007","25.891","0.002","15.9698","0.0008","90","","102.257","0.005","90","","5285.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O18 P4 -","- C48 H72 O18 P4 -","- C192 H288 O72 P16 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Raston, Colin L.","Organization of Lower RimO-Alkylatedp-Phosphonic Acid Calix[4]arenes","Crystal Growth & Design","2009","9","8","3575","","10.1021/cg900315h","","","0.71073","MoKα","","0.125","0.0838","","","0.2126","0.2379","","","","","","1.004","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509546","10.335","0.002","20.68","0.004","34.728","0.006","90","","90","","90","","7422","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H37 Cs O17 P4 -","- C32 H35 Cs O17 P4 -","- C256 H280 Cs8 O136 P32 -","8","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Raston, Colin L.","Organization of Lower RimO-Alkylatedp-Phosphonic Acid Calix[4]arenes","Crystal Growth & Design","2009","9","8","3575","","10.1021/cg900315h","","","0.71073","MoKα","","0.1324","0.0692","","","0.1603","0.1886","","","","","","1.02","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509547","12.315","0.003","26.087","0.005","20.789","0.004","90","","97.05","0.03","90","","6628","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H86 O17 P4 -","- C59 H86 O17 P4 -","- C236 H344 O68 P16 -","4","0.5","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Raston, Colin L.","Organization of Lower RimO-Alkylatedp-Phosphonic Acid Calix[4]arenes","Crystal Growth & Design","2009","9","8","3575","","10.1021/cg900315h","","","0.71073","MoKα","","0.1705","0.1047","","","0.2705","0.2915","","","","","","1.012","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509548","13.247","0.004","31.9","0.01","15.996","0.005","90","","106.74","0.005","90","","6473","3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H94 O17 P4 -","- C60 H94 O17 P4 -","- C240 H376 O68 P16 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Raston, Colin L.","Organization of Lower RimO-Alkylatedp-Phosphonic Acid Calix[4]arenes","Crystal Growth & Design","2009","9","8","3575","","10.1021/cg900315h","","","0.71073","MoKα","","0.2063","0.1093","","","0.221","0.2668","","","","","","1.001","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509549","9.523","","10.4239","0.0003","11.2631","0.0003","83.889","0.013","69.065","0.009","71.052","0.011","987.6","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Cd Cl N11 O2 -","- C34 H40 Cd Cl N11 O2 -","- C34 H40 Cd Cl N11 O2 -","1","0.5","","Xu, Bo; Lü, Jian; Cao, Rong","Anion-Assisted Structural Variation of Cadmium Coordination Polymers: From 2D →3D Inclined Polycatenation to 2D →3D Polythreading","Crystal Growth & Design","2009","9","7","3003","","10.1021/cg900324y","","","0.71073","MoKα","","0.0563","0.0533","","","0.1593","0.1669","","","","","","1.186","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509550","8.848","0.003","13.555","0.005","19.518","0.007","90","","90.147","0.004","90","","2340.9","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cd N10 O -","- C20 H20 Cd N10 O -","- C80 H80 Cd4 N40 O4 -","4","1","","Xu, Bo; Lü, Jian; Cao, Rong","Anion-Assisted Structural Variation of Cadmium Coordination Polymers: From 2D →3D Inclined Polycatenation to 2D →3D Polythreading","Crystal Growth & Design","2009","9","7","3003","","10.1021/cg900324y","","","0.71073","MoKα","","0.0953","0.0862","","","0.2756","0.2859","","","","","","1.134","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509551","20.117","0.004","20.117","0.004","20.117","0.004","90","","90","","90","","8141","3","220","2","220","2","","","","","","","see text","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H60 Cu N13 O9 P4 -","- C24 H60 Cu N13 O9 P4 -","- C192 H480 Cu8 N104 O72 P32 -","8","0.0416667","","Jaremko, Łukasz; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Engineering Coordination and Supramolecular Copper−Organic Networks by Aqueous Medium Self-Assembly with 1,3,5-Triaza-7-phosphaadamantane (PTA)","Crystal Growth & Design","2009","9","7","3006","","10.1021/cg900334w","","","0.71073","MoKα","","0.0803","0.0421","","","0.1053","0.1183","","","","","","1.006","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509552","6.505","0.002","16.128","0.005","13.913","0.004","90","","91.58","0.03","90","","1459.1","0.8","100","2","100","2","","","","","","","see text","7","P 1 21/m 1","-P 2yb","11","","","","- C18 H40 Cu I3 N9 O P3 -","- C18 H40 Cu I3 N9 O P3 -","- C36 H80 Cu2 I6 N18 O2 P6 -","2","0.5","","Jaremko, Łukasz; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Engineering Coordination and Supramolecular Copper−Organic Networks by Aqueous Medium Self-Assembly with 1,3,5-Triaza-7-phosphaadamantane (PTA)","Crystal Growth & Design","2009","9","7","3006","","10.1021/cg900334w","","","0.71073","MoKα","","0.0877","0.0331","","","0.0511","0.0557","","","","","","0.817","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509553","6.543","0.003","12.19","0.005","12.043","0.005","90","","105.3","0.04","90","","926.5","0.7","100","2","100","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cu N6 P -","- C6 H12 Cu N6 P -","- C24 H48 Cu4 N24 P4 -","4","1","","Jaremko, Łukasz; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Engineering Coordination and Supramolecular Copper−Organic Networks by Aqueous Medium Self-Assembly with 1,3,5-Triaza-7-phosphaadamantane (PTA)","Crystal Growth & Design","2009","9","7","3006","","10.1021/cg900334w","","","0.71073","MoKα","","0.0895","0.0348","","","0.0794","0.0851","","","","","","0.908","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509554","12.636","0.002","20.577","0.004","22.364","0.004","90","","93.394","0.004","90","","5804.7","1.8","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H178 Mo12 N6 O40 Si -","- C80 H148 Mo12 N6 O40 Si -","- C160 H296 Mo24 N12 O80 Si2 -","2","1","","Nyman, May; Rodriguez, Mark A.; Anderson, Travis M.; Ingersoll, David","Two Structures Toward Understanding Evolution from Surfactant-Polyoxometalate Lamellae to Surfactant-Encapsulated Polyoxometalates","Crystal Growth & Design","2009","9","8","3590","","10.1021/cg9003356","","","0.71073","MoKα","","0.0939","0.0681","","","0.143","0.159","","","","","","1.042","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509555","10.823","0.002","11.016","0.002","4.8844","0.0009","90","","90","","90","","582.35","0.19","293","2","293","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- B2 Bi2 O7 Zn -","- B2 Bi2 O7 Zn -","- B8 Bi8 O28 Zn4 -","4","1","","Li, Feng; Pan, Shilie; Hou, Xueling; Yao, Jun","A Novel Nonlinear Optical Crystal Bi2ZnOB2O6","Crystal Growth & Design","2009","9","9","4091","","10.1021/cg900336r","","","0.71073","MoKα","","0.0421","0.0394","","","0.0983","0.0993","","","","","","1.09","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509556","12.1509","0.0013","15.284","0.002","17.597","0.002","87.531","0.009","83.906","0.007","69.005","0.006","3033.8","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Cu3 N7 Na O17 -","- C60 H70 Cu3 N7 Na O17 -","- C120 H140 Cu6 N14 Na2 O34 -","2","1","","Hazra, Susanta; Koner, Rajesh; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Cocrystallized Dinuclear−Mononuclear CuII3NaIand Double-Decker−Triple-Decker CuII5KI3Complexes Derived fromN,N′-Ethylenebis(3-ethoxysalicylaldimine)","Crystal Growth & Design","2009","9","8","3603","","10.1021/cg900341r","","","0.71073","MoKα","","0.0697","0.0473","","","0.1238","0.1378","","","","","","1.084","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509557","21.756","0.002","25.229","0.002","18.377","0.002","90","","94.654","0.007","90","","10053.5","1.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H110 Cu5 K3 N13 O29.2 -","- C100 H110 Cu5 K3 N13 O29.2 -","- C400 H440 Cu20 K12 N52 O116.8 -","4","1","","Hazra, Susanta; Koner, Rajesh; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Cocrystallized Dinuclear−Mononuclear CuII3NaIand Double-Decker−Triple-Decker CuII5KI3Complexes Derived fromN,N′-Ethylenebis(3-ethoxysalicylaldimine)","Crystal Growth & Design","2009","9","8","3603","","10.1021/cg900341r","","","0.71073","MoKα","","0.0609","0.0404","","","0.1047","0.12","","","","","","1.01","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509558","6.871","0.002","10.724","0.004","21.829","0.007","99.543","0.003","93.469","0.003","105.766","0.005","1517.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 D2 N4 O6.5 -","- C15 H15 D2 N4 O6.5 -","- C60 H60 D8 N16 O26 -","4","2","","Chen, Li-Zhuang; Zhao, Hong; Ge, Jia-Zhen; Xiong, Ren-Gen; Hu, Hong-Wen","Observation of Deuteration Effect in Co-Crystal System: Hexamethylenetetraminium 3,5-Dinitrobenzoate Hemideuterated Water","Crystal Growth & Design","2009","9","9","3828","","10.1021/cg900348x","","","0.71073","MoKα","","0.0727","0.059","","","0.1671","0.1839","","","","","","1.032","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509559","6.951","0.002","10.718","0.004","11.123","0.004","102.48","0.02","98.378","0.017","105.812","0.013","759.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 D2 N6 O6.5 -","- C13 H15 D2 N6 O6.5 -","- C26 H30 D4 N12 O13 -","2","1","","Chen, Li-Zhuang; Zhao, Hong; Ge, Jia-Zhen; Xiong, Ren-Gen; Hu, Hong-Wen","Observation of Deuteration Effect in Co-Crystal System: Hexamethylenetetraminium 3,5-Dinitrobenzoate Hemideuterated Water","Crystal Growth & Design","2009","9","9","3828","","10.1021/cg900348x","","","0.71073","MoKα","","0.1057","0.0805","","","0.2034","0.2663","","","","","","0.94","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509560","6.9911","0.0014","10.748","0.002","11.428","0.002","103.27","0.03","98.38","0.03","105.94","0.03","783.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 D2 N6 O6.5 -","- C13 H15 D2 N6 O6.5 -","- C26 H30 D4 N12 O13 -","2","1","","Chen, Li-Zhuang; Zhao, Hong; Ge, Jia-Zhen; Xiong, Ren-Gen; Hu, Hong-Wen","Observation of Deuteration Effect in Co-Crystal System: Hexamethylenetetraminium 3,5-Dinitrobenzoate Hemideuterated Water","Crystal Growth & Design","2009","9","9","3828","","10.1021/cg900348x","","","0.71073","MoKα","","0.0864","0.056","","","0.1258","0.1403","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509561","16.282","0.0004","16.282","0.0004","16.282","0.0004","90","","90","","90","","4316.42","0.18","298","2","298","2","","","","","","","","6","I 2 3","I 2 2 3","197","Zn~3~S(AmTAZ)~3~.(NO~3~)(H~2~O)","","","- C6 H11 N13 O4 S Zn3 -","- C6 H10.98 N13.005 O3.965 S Zn3 -","- C48 H87.84 N104.04 O31.72 S8 Zn24 -","8","0.333333","","Halder, Gregory J.; Park, Hyunsoo; Funk, Russell J.; Chapman, Karena W.; Engerer, Laura K.; Geiser, Urs; Schlueter, John A.","In-Situ X-ray Diffraction Studies of Host−Guest Properties in Nanoporous Zinc-Triazolate-Based Framework Materials","Crystal Growth & Design","2009","9","8","3609","","10.1021/cg900349c","","","0.71073","MoKα","","0.0476","0.0437","","","0.122","0.1261","","","","","","1.156","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509562","26.352","0.003","22.909","0.002","16.5408","0.0015","90","","97.259","0.004","90","","9905.6","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 N32 O10 Zn7 -","- C22 H38 N32 O10 Zn7 -","- C176 H304 N256 O80 Zn56 -","8","1","","Halder, Gregory J.; Park, Hyunsoo; Funk, Russell J.; Chapman, Karena W.; Engerer, Laura K.; Geiser, Urs; Schlueter, John A.","In-Situ X-ray Diffraction Studies of Host−Guest Properties in Nanoporous Zinc-Triazolate-Based Framework Materials","Crystal Growth & Design","2009","9","8","3609","","10.1021/cg900349c","","","0.71073","MoKα","","0.0804","0.0528","","","0.163","0.179","","","","","","1.066","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509563","9.6547","0.0019","10.657","0.002","11.918","0.002","85.06","0.03","85.38","0.03","78.61","0.03","1195.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Mo4 N4 O14 -","- C14 H14 Mo4 N4 O14 -","- C28 H28 Mo8 N8 O28 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.0985","0.0655","","","0.1592","0.2086","","","","","","1.099","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509564","10.615","0.002","13.366","0.003","13.44","0.003","94.38","0.03","110.47","0.03","103.46","0.03","1711.1","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cu2 Mo4 N4 O14 -","- C26 H28 Cu2 Mo4 N4 O14 -","- C52 H56 Cu4 Mo8 N8 O28 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.107","0.0663","","","0.1621","0.2296","","","","","","1.041","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509565","11.505","0.002","13.023","0.003","15.556","0.003","90.99","0.03","92.74","0.03","97.36","0.03","2308.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Mo8 N8 O27 -","- C28 H28 Mo8 N8 O27 -","- C56 H56 Mo16 N16 O54 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.0657","0.0456","","","0.1036","0.1192","","","","","","1.085","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509566","12.669","0.003","22.816","0.005","14.893","0.006","90","","124.44","0.02","90","","3550","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu2 Mo4 N8 O13 -","- C28 H28 Cu2 Mo4 N8 O13 -","- C112 H112 Cu8 Mo16 N32 O52 -","4","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.0381","0.0306","","","0.0689","0.0722","","","","","","1.014","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509567","10.46","0.002","9.974","0.002","19.618","0.004","90","","100.79","0.03","90","","2010.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Mo8 N4 O26 -","- C26 H28 Mo8 N4 O26 -","- C52 H56 Mo16 N8 O52 -","2","0.5","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.0397","0.0304","","","0.0784","0.0954","","","","","","1.184","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509568","24.486","0.005","13.712","0.003","20.241","0.004","90","","118.18","0.03","90","","5990","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H47 Cu3 Mo8 N12 O28 -","- C42 H42 Cu3 Mo8 N12 O28 -","- C168 H168 Cu12 Mo32 N48 O112 -","4","0.5","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.085","0.0519","","","0.1333","0.1812","","","","","","1.101","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509569","10.041","0.002","10.979","0.002","21.964","0.004","91.68","0.03","96.02","0.03","101.91","0.03","2352.9","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H35 Cu Mo8 N8 O28 -","- C28 H28 Cu Mo8 N8 O28 -","- C56 H56 Cu2 Mo16 N16 O56 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.1156","0.0667","","","0.1644","0.2113","","","","","","1.084","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509570","10.799","0.002","12.472","0.003","12.879","0.003","115.03","0.03","96.54","0.03","103.21","0.03","1485.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Mo8 N12 O28 -","- C42 H42 Mo8 N12 O28 -","- C42 H42 Mo8 N12 O28 -","1","0.5","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Base-Directed Self-Assembly of Octamolybdate-Based Frameworks Decorated by Flexible N-Containing Ligands","Crystal Growth & Design","2009","9","9","4116","","10.1021/cg900352e","","","0.71073","MoKα","","0.074","0.0516","","","0.124","0.1464","","","","","","1.045","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509571","16.6187","0.0013","10.1985","0.0008","16.7613","0.0013","90","","106.534","0.001","90","","2723.3","0.4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 N3 O4 -","- C27 H39 N3 O4 -","- C108 H156 N12 O16 -","4","1","","Baillargeon, Pierre; Dory, Yves L.","Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions","Crystal Growth & Design","2009","9","8","3638","","10.1021/cg900379n","","","0.71073","MoKα","","0.0563","0.0427","","","0.1168","0.1244","","","","","","1.067","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509572","10.5167","0.0009","19.4581","0.0016","26.198","0.002","90","","90","","90","","5361","0.8","198","2","198","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H37 N3 O5 -","- C26 H33 N3 O5 -","- C208 H264 N24 O40 -","8","1","","Baillargeon, Pierre; Dory, Yves L.","Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions","Crystal Growth & Design","2009","9","8","3638","","10.1021/cg900379n","","","0.71073","MoKα","","0.1126","0.0723","","","0.2348","0.2688","","","","","","1.155","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509573","15.995","0.007","10.034","0.003","17.137","0.009","90","","106.26","0.04","90","","2640","2","218","2","218","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Cl2 N3 O3 -","- C25.001 H35.002 Cl2.001 N3 O3 -","- C100.004 H140.008 Cl8.004 N12 O12 -","4","1","","Baillargeon, Pierre; Dory, Yves L.","Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions","Crystal Growth & Design","2009","9","8","3638","","10.1021/cg900379n","","","1.54056","","","0.1028","0.0776","","","0.2228","0.2483","","","","","","1.098","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509574","15.764","0.004","10.205","0.004","19.874","0.016","90","","99.69","0.04","90","","3152","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N3 O5 -","- C30 H45 N3 O5 -","- C120 H180 N12 O20 -","4","1","","Baillargeon, Pierre; Dory, Yves L.","Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions","Crystal Growth & Design","2009","9","8","3638","","10.1021/cg900379n","","","1.54176","CuKα","","0.1357","0.0803","","","0.2393","0.2764","","","","","","1.024","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509575","15.633","0.004","10.125","0.003","19.812","0.006","90","","99.634","0.005","90","","3091.7","1.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N3 O5 -","- C30 H45 N3 O5 -","- C120 H180 N12 O20 -","4","1","","Baillargeon, Pierre; Dory, Yves L.","Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions","Crystal Growth & Design","2009","9","8","3638","","10.1021/cg900379n","","","0.71073","MoKα","","0.065","0.0417","","","0.1161","0.1261","","","","","","1.095","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509576","9.825","0.004","11.792","0.005","21.229","0.01","99.35","0.005","95.583","0.007","105.412","0.005","2313.9","1.7","173","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C96 H132 N12 O12 -","6","3","","Baillargeon, Pierre; Dory, Yves L.","Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions","Crystal Growth & Design","2009","9","8","3638","","10.1021/cg900379n","","","0.71073","MoKα","","0.2625","0.1239","","","0.2874","0.3696","","","","","","0.959","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509577","7.8267","0.0002","11.3064","0.0003","15.6709","0.0005","90","","98.114","0.002","90","","1372.86","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N2 Ni O14 S2 -","- C20 H30 N2 Ni O14 S2 -","- C40 H60 N4 Ni2 O28 S4 -","2","0.5","","Kanoo, Prakash; K. L., Gurunatha; Maji, Tapas Kumar","Temperature-Controlled Synthesis of Metal-Organic Coordination Polymers: Crystal Structure, Supramolecular Isomerism, and Porous Property","Crystal Growth & Design","2009","9","9","4147","","10.1021/cg900386q","","","0.71073","MoKα","","0.0653","0.0395","","","0.1026","0.1256","","","","","","1.012","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509578","7.6427","0.0002","11.3085","0.0003","14.3244","0.0004","83.034","0.002","78.57","0.002","84.684","0.002","1201.51","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 N2 Ni O12 S2 -","- C20 H19 N2 Ni O12 S2 -","- C40 H38 N4 Ni2 O24 S4 -","2","1","","Kanoo, Prakash; K. L., Gurunatha; Maji, Tapas Kumar","Temperature-Controlled Synthesis of Metal-Organic Coordination Polymers: Crystal Structure, Supramolecular Isomerism, and Porous Property","Crystal Growth & Design","2009","9","9","4147","","10.1021/cg900386q","","","0.71073","MoKα","","0.0838","0.0528","","","0.1585","0.1958","","","","","","1.055","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509579","8.4893","0.0002","8.6526","0.0002","9.101","0.0002","101.348","0.001","90.266","0.001","117.075","0.001","580.2","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 N2 Ni O10 S2 -","- C20 H22 N2 Ni O10 S2 -","- C20 H22 N2 Ni O10 S2 -","1","0.5","","Kanoo, Prakash; K. L., Gurunatha; Maji, Tapas Kumar","Temperature-Controlled Synthesis of Metal-Organic Coordination Polymers: Crystal Structure, Supramolecular Isomerism, and Porous Property","Crystal Growth & Design","2009","9","9","4147","","10.1021/cg900386q","","","0.71073","MoKα","","0.0316","0.0272","","","0.0673","0.0702","","","","","","1.056","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509580","13.6515","0.0003","11.236","0.0003","15.9913","0.0004","90","","108.613","0.002","90","","2324.58","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 Ni O10 S2 -","- C20 H22 N2 Ni O10 S2 -","- C80 H88 N8 Ni4 O40 S8 -","4","0.5","","Kanoo, Prakash; K. L., Gurunatha; Maji, Tapas Kumar","Temperature-Controlled Synthesis of Metal-Organic Coordination Polymers: Crystal Structure, Supramolecular Isomerism, and Porous Property","Crystal Growth & Design","2009","9","9","4147","","10.1021/cg900386q","","","0.71073","MoKα","","0.064","0.0397","","","0.0782","0.0862","","","","","","1.022","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509581","13.5231","0.0004","11.0694","0.0003","16.0659","0.0005","90","","108.101","0.002","90","","2285.93","0.12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N2 O10 S2 -","- C20 H22 Cu N2 O10 S2 -","- C80 H88 Cu4 N8 O40 S8 -","4","0.5","","Kanoo, Prakash; K. L., Gurunatha; Maji, Tapas Kumar","Temperature-Controlled Synthesis of Metal-Organic Coordination Polymers: Crystal Structure, Supramolecular Isomerism, and Porous Property","Crystal Growth & Design","2009","9","9","4147","","10.1021/cg900386q","","","0.71073","MoKα","","0.0665","0.0407","","","0.0797","0.0963","","","","","","1.074","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509582","8.901","0.002","10.5","0.002","12.576","0.002","82.56","0.02","84.44","0.02","73.05","0.02","1112.7","0.4","200","1","200","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C9 H18 O6 -","- C9 H18 O6 -","- C36 H72 O24 -","4","2","","Reany, Ofer; Kapon, Moshe; Botoshansky, Mark; Keinan, Ehud","Rich Polymorphism in Triacetone-Triperoxide","Crystal Growth & Design","2009","9","8","3661","","10.1021/cg900390y","","","0.71073","MoKα","","0.1228","0.0607","","","0.1558","0.1782","","","","","","0.889","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509583","11.968","0.002","14.029","0.003","15.606","0.003","90","","117.15","0.03","90","","2331.5","1","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Keinan-36 (Reany)","","","- C18 H36 O12 -","- C18 H36 O12 -","- C72 H144 O48 -","4","1","","Reany, Ofer; Kapon, Moshe; Botoshansky, Mark; Keinan, Ehud","Rich Polymorphism in Triacetone-Triperoxide","Crystal Growth & Design","2009","9","8","3661","","10.1021/cg900390y","","","0.71073","MoKα","","0.1785","0.0974","","","0.2681","0.3141","","","","","","1.047","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509584","11.962","0.002","14.038","0.003","15.595","0.003","90","","117.27","0.03","90","","2327.7","1","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Keiana-37( Exp.100) Reany","","","- C9 H18 O6 -","- C9 H18 O6 -","- C72 H144 O48 -","8","2","","Reany, Ofer; Kapon, Moshe; Botoshansky, Mark; Keinan, Ehud","Rich Polymorphism in Triacetone-Triperoxide","Crystal Growth & Design","2009","9","8","3661","","10.1021/cg900390y","","","0.71073","MoKα","","0.0705","0.0526","","","0.1516","0.1623","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509585","28.055","0.006","15.616","0.003","10.667","0.002","90","","90","","90","","4673.3","1.6","200","0.1","200","0.1","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C9 H18 O6 -","- C9 H16.65 O6 -","- C144 H266.4 O96 -","16","","","Reany, Ofer; Kapon, Moshe; Botoshansky, Mark; Keinan, Ehud","Rich Polymorphism in Triacetone-Triperoxide","Crystal Growth & Design","2009","9","8","3661","","10.1021/cg900390y","","","0.71073","MoKα","","0.1476","0.0975","","","0.311","0.3329","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509586","11.964","0.002","28.083","0.006","15.6","0.003","90","","117.22","0.03","90","","4661","2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","keian-34 (Reany)","","","- C9 H18 O6 -","- C9 H18 O6 -","- C144 H288 O96 -","16","4","","Reany, Ofer; Kapon, Moshe; Botoshansky, Mark; Keinan, Ehud","Rich Polymorphism in Triacetone-Triperoxide","Crystal Growth & Design","2009","9","8","3661","","10.1021/cg900390y","","","0.71073","MoKα","","0.1434","0.0632","","","0.1943","0.2154","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509587","14.062","0.001","27.3886","0.0019","16.7526","0.0012","90","","113.109","0.001","90","","5934.4","0.7","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C84 H60 Cl2 Cu4 N14 O64 P2 W18 -","- C84 H56 Cl2 Cu4 N14 O64 P2 W18 -","- C168 H112 Cl4 Cu8 N28 O128 P4 W36 -","2","1","","Zhang, Chun-Dan; Liu, Shu-Xia; Sun, Chun-Yan; Ma, Feng-Ji; Su, Zhong-Min","Assembly of Organic−Inorganic Hybrid Materials Based on Dawson-Type Polyoxometalate and Multinuclear Copper−Phen Complexes with Unique Magnetic Properties","Crystal Growth & Design","2009","9","8","3655","","10.1021/cg900391q","","","0.71073","MoKα","","0.0916","0.0603","","","0.1424","0.1618","","","","","","1.021","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509588","14.1255","0.0009","17.2468","0.0011","28.2613","0.0018","101.025","0.001","99.011","0.001","92.732","0.001","6653.1","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H76 Cl8 Cu7 N14 O72 P2 W18 -","- C84 H56 Cl8 Cu7 N14 O72 P2 W18 -","- C168 H112 Cl16 Cu14 N28 O144 P4 W36 -","2","1","","Zhang, Chun-Dan; Liu, Shu-Xia; Sun, Chun-Yan; Ma, Feng-Ji; Su, Zhong-Min","Assembly of Organic−Inorganic Hybrid Materials Based on Dawson-Type Polyoxometalate and Multinuclear Copper−Phen Complexes with Unique Magnetic Properties","Crystal Growth & Design","2009","9","8","3655","","10.1021/cg900391q","","","0.71073","MoKα","","0.0905","0.0526","","","0.1231","0.1424","","","","","","1.003","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509589","7.5028","0.0005","9.215","0.0006","14.6331","0.001","90","","101.955","0.001","90","","989.76","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl6 S2 Sb2 -","- C10 H14 Cl6 S2 Sb2 -","- C20 H28 Cl12 S4 Sb4 -","2","0.5","","Allen, Corinne A.; Cangelosi, Virginia M.; Zakharov, Lev N.; Johnson, Darren W.","Supramolecular Organization Using Multiple Secondary Bonding Interactions","Crystal Growth & Design","2009","9","7","3011","","10.1021/cg900395w","","","0.71073","MoKα","","0.0217","0.0207","","","0.0505","0.0512","","","","","","1.059","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509590","7.6386","0.0004","16.1453","0.0009","8.1907","0.0005","90","","105.532","0.001","90","","973.25","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Br2 Cl6 Sb2 -","- C10 H12 Br2 Cl6 Sb2 -","- C20 H24 Br4 Cl12 Sb4 -","2","0.5","","Allen, Corinne A.; Cangelosi, Virginia M.; Zakharov, Lev N.; Johnson, Darren W.","Supramolecular Organization Using Multiple Secondary Bonding Interactions","Crystal Growth & Design","2009","9","7","3011","","10.1021/cg900395w","","","0.71073","MoKα","","0.0189","0.0185","","","0.0463","0.0466","","","","","","1.13","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509591","10.0121","0.0016","11.0949","0.0018","17.737","0.003","104.988","0.003","99.792","0.003","105.608","0.003","1771.2","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Zinc Carboxylate","","","- C32 H28 N6 O14 Zn3 -","- C32 H28 N6 O14 Zn3 -","- C64 H56 N12 O28 Zn6 -","2","1","","Mahata, Partha; Prabu, Manikanda; Natarajan, Srinivasan","Time- and Temperature-Dependent Study in the Three-Component Zinc-Triazolate-Oxybis(benzoate) System: Stabilization of New Topologies","Crystal Growth & Design","2009","9","8","3683","","10.1021/cg900397r","","","0.71073","MoKα","","0.0655","0.0402","","","0.0759","0.0834","","","","","","1.037","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509592","9.812","0.002","36.015","0.008","21.799","0.005","90","","101.814","0.004","90","","7540","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Zinc Carboxylate","","","- C34 H22 N9 O10.5 Zn3.5 -","- C34 H22 N9 O10.5 Zn3.5 -","- C272 H176 N72 O84 Zn28 -","8","1","","Mahata, Partha; Prabu, Manikanda; Natarajan, Srinivasan","Time- and Temperature-Dependent Study in the Three-Component Zinc-Triazolate-Oxybis(benzoate) System: Stabilization of New Topologies","Crystal Growth & Design","2009","9","8","3683","","10.1021/cg900397r","","","0.71073","MoKα","","0.0915","0.0591","","","0.1315","0.1496","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509593","15.0444","0.0003","19.1731","0.0004","16.868","0.0003","90","","102.463","0.001","90","","4750.88","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zinc Carboxylate","","","- C46 H30 N6 O17 Zn5 -","- C46 H30 N6 O17 Zn5 -","- C184 H120 N24 O68 Zn20 -","4","1","","Mahata, Partha; Prabu, Manikanda; Natarajan, Srinivasan","Time- and Temperature-Dependent Study in the Three-Component Zinc-Triazolate-Oxybis(benzoate) System: Stabilization of New Topologies","Crystal Growth & Design","2009","9","8","3683","","10.1021/cg900397r","","","0.71073","MoKα","","0.0391","0.0296","","","0.0764","0.0812","","","","","","1.037","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509594","11.659","0.004","11.659","","27.431","0.002","90","","90","","90","","3728.8","1.3","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H36 Ca O20 P4 -","- C29 H22 Ca O20 P4 -","- C116 H88 Ca4 O80 P16 -","4","0.25","","Martin, Adam D.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable Intercalation of Calcium Ions in Bilayers of Partially Deprotonatedp-Phosphonic Acid Calix[4]arene","Crystal Growth & Design","2009","9","8","3759","","10.1021/cg9004467","","","1.54178","CuKα","","0.1725","0.1392","","","0.3449","0.3625","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509595","10.4608","0.0002","25.6916","0.0006","14.8024","0.0003","90","","91.096","0.002","90","","3977.49","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H90 Ca5 O54 P8 -","- C56 H90 Ca5 O54 P8 -","- C112 H180 Ca10 O108 P16 -","2","0.5","","Martin, Adam D.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable Intercalation of Calcium Ions in Bilayers of Partially Deprotonatedp-Phosphonic Acid Calix[4]arene","Crystal Growth & Design","2009","9","8","3759","","10.1021/cg9004467","","","0.71073","MoKα","","0.1302","0.0779","","","0.2029","0.2236","","","","","","1.001","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509596","5.4959","0.0013","9.048","0.002","12.673","0.003","83.611","0.004","82.503","0.004","77.561","0.004","607.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H15 N3 O8 P2 -","- C3 H15 N3 O8 P2 -","- C6 H30 N6 O16 P4 -","2","1","","Chen, Shuo-ping; Hu, Le; Hu, Xue-jia; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","(AEDPH3)·(ureaH)·(H2O): A Novel Organic Supramolecular Plaster with Gas Adsorption Performance","Crystal Growth & Design","2009","9","9","3835","","10.1021/cg9004483","","","0.71073","MoKα","","0.0877","0.079","","","0.2206","0.2244","","","","","","1.143","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509597","14.888","0.004","18.24","0.007","49.411","0.013","90","","90","","90","","13418","7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H93 Br6 Dy N6 -","- C52 H99 Br6 Dy N8 -","- C416 H792 Br48 Dy8 N64 -","8","1","","Getsis, Anna; Balke, Benjamin; Felser, Claudia; Mudring, Anja-Verena","Dysprosium-Based Ionic Liquid Crystals: Thermal, Structural, Photo- and Magnetophysical Properties","Crystal Growth & Design","2009","9","10","4429","","10.1021/cg900463b","","","0.71073","MoKα","","0.1518","0.1047","","","0.2442","0.2721","","","","","","1.167","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509598","13.5406","0.0014","7.9202","0.0008","16.596","0.0019","90","","99.731","0.003","90","","1754.2","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 Cu3 N3 O15 -","- C30 H41 Cu3 N3 O15 -","- C60 H82 Cu6 N6 O30 -","2","1","","Nagarathinam, Mangayarkarasi; Saravanan, Kuppan; Leong, Wei Lee; Balaya, Palani; Vittal, Jagadese J.","Hollow Nanospheres and Flowers of CuS from Self-Assembled Cu(II) Coordination Polymer and Hydrogen-Bonded Complexes ofN-(2-Hydroxybenzyl)-l-serine","Crystal Growth & Design","2009","9","10","4461","","10.1021/cg9004938","","","0.71073","MoKα","","0.0442","0.0406","","","0.1105","0.1135","","","","","","1.028","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509599","8.3764","0.0012","22.157","0.003","5.6982","0.0008","90","","90","","90","","1057.6","0.3","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Cu N2 O9 -","- C20 H26 Cu N2 O9 -","- C40 H52 Cu2 N4 O18 -","2","0.5","","Nagarathinam, Mangayarkarasi; Saravanan, Kuppan; Leong, Wei Lee; Balaya, Palani; Vittal, Jagadese J.","Hollow Nanospheres and Flowers of CuS from Self-Assembled Cu(II) Coordination Polymer and Hydrogen-Bonded Complexes ofN-(2-Hydroxybenzyl)-l-serine","Crystal Growth & Design","2009","9","10","4461","","10.1021/cg9004938","","","0.71073","MoKα","","0.0633","0.0619","","","0.1416","0.1421","","","","","","1.254","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509600","13.865","0.0003","6.707","0.0002","10.566","0.0003","90","","110.612","0.002","90","","919.66","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ASA_Dioxane_solvate","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C36 H44 N4 O16 -","4","1","","André, Vânia; Braga, Dario; Grepioni, Fabrizia; Duarte, M. Teresa","Crystal Forms of the Antibiotic 4-Aminosalicylic Acid: Solvates and Molecular Salts with Dioxane, Morpholine, and Piperazine","Crystal Growth & Design","2009","9","12","5108","","10.1021/cg900495s","","","0.71069","MoKα","","0.08","0.0421","","","0.0923","0.1007","","","","","","1.005","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509601","10.401","0.004","8.426","0.002","20.995","0.007","90","","90","","90","","1840","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ASA_05PIPERAZINE","","","- C18 H24 N4 O6 -","- C18 H24 N4 O6 -","- C72 H96 N16 O24 -","4","0.5","","André, Vânia; Braga, Dario; Grepioni, Fabrizia; Duarte, M. Teresa","Crystal Forms of the Antibiotic 4-Aminosalicylic Acid: Solvates and Molecular Salts with Dioxane, Morpholine, and Piperazine","Crystal Growth & Design","2009","9","12","5108","","10.1021/cg900495s","","","0.71069","MoKα","","0.0744","0.0562","","","0.1831","0.1961","","","","","","1.103","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509602","10.3122","0.0012","7.6976","0.0008","15.4938","0.0018","90","","101.915","0.008","90","","1203.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","","André, Vânia; Braga, Dario; Grepioni, Fabrizia; Duarte, M. Teresa","Crystal Forms of the Antibiotic 4-Aminosalicylic Acid: Solvates and Molecular Salts with Dioxane, Morpholine, and Piperazine","Crystal Growth & Design","2009","9","12","5108","","10.1021/cg900495s","","","0.71069","MoKα","","0.0788","0.0498","","","0.1202","0.1304","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509603","6.566","0.0004","19.014","0.0013","9.381","0.006","90","","102.228","0.004","90","","1144.6","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ASA_Morpholine","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","1","","André, Vânia; Braga, Dario; Grepioni, Fabrizia; Duarte, M. Teresa","Crystal Forms of the Antibiotic 4-Aminosalicylic Acid: Solvates and Molecular Salts with Dioxane, Morpholine, and Piperazine","Crystal Growth & Design","2009","9","12","5108","","10.1021/cg900495s","","","0.71069","MoKα","","0.1061","0.0508","","","0.11","0.1201","","","","","","0.901","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509604","13.014","0.004","13.014","0.004","13.457","0.006","90","","90","","120","","1973.8","1.2","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H22 Cd5 Cl N45 O2 -","- C15 H18 Cd5 Cl0.94 N39 O -","- C30 H36 Cd10 Cl1.88 N78 O2 -","2","0.0833333","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0944","0.0914","","","0.2072","0.2082","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509605","21.5","0.003","21.5","0.003","21.5","0.003","90","","90","","90","","9938","2","298","2","298","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C9 H29 Cd7.5 N45 O14.5 S2 -","- C12 H26 Cd7.5 N42 O14.5 S2 -","- C96 H208 Cd60 N336 O116 S16 -","8","0.166667","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0251","0.0251","","","0.0622","0.0622","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509606","9.852","0.002","26.378","0.005","13.548","0.003","90","","90","","90","","3520.8","1.3","298","2","298","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C8 H22 Cd5 Cl2 N40 O3 -","- C8 H15 Cd5 Cl2 N40 O2.8 -","- C32 H60 Cd20 Cl8 N160 O11.2 -","4","0.5","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0869","0.0853","","","0.2367","0.2379","","","","","","1.339","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509607","8.8659","0.0018","9.5769","0.0019","13.337","0.003","90","","102.91","0.03","90","","1103.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cd5 N20 O10 S2 -","- C4 H10 Cd5 N20 O10 S2 -","- C8 H20 Cd10 N40 O20 S4 -","2","0.5","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0275","0.0265","","","0.0682","0.0688","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509608","13.0628","0.0018","13.0628","0.0018","13.522","0.003","90","","90","","120","","1998.2","0.6","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H22 Cd5 N45 O4 S0.5 -","- C15 H18 Cd5 N39 O2.64 S0.49 -","- C30 H36 Cd10 N78 O5.28 S0.98 -","2","0.0833333","","Liu, Dongsheng; Huang, Gansheng; Huang, Changcang; Huang, Xihe; Chen, Jianzhong; You, XiaoZeng","Cadmium Coordination Polymers Constructed from in Situ Generated Amino-Tetrazole Ligand: Effect of the Conditions on the Structures and Topologies","Crystal Growth & Design","2009","9","12","5117","","10.1021/cg900505v","","","0.71073","MoKα","","0.0725","0.0725","","","0.2684","0.2684","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509609","9.4638","0.0011","10.202","0.0011","18.905","0.002","90","","93.788","0.002","90","","1821.3","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N16 Ni3 O14 -","- C26 H38 N16 Ni3 O14 -","- C52 H76 N32 Ni6 O28 -","2","0.5","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.0595","0.0383","","","0.0745","0.0779","","","","","","0.838","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509610","20.81","0.01","10.705","0.005","12.004","0.006","90","","113.103","0.009","90","","2460","2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N5 O5 Zn -","- C9 H10 N5 O5 Zn -","- C72 H80 N40 O40 Zn8 -","8","1","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.1092","0.0815","","","0.1934","0.2336","","","","","","1.141","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509611","11.3568","0.0012","9.0204","0.0009","19.742","0.002","90","","95.517","0.002","90","","2013.1","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 N12 Ni3 O18 -","- C26 H48 N12 Ni3 O18 -","- C52 H96 N24 Ni6 O36 -","2","0.5","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.0561","0.0456","","","0.107","0.1119","","","","","","1.009","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509612","8.2778","0.0012","8.9873","0.0013","12.5406","0.0018","101.62","0.002","102.546","0.003","91.579","0.003","889.5","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N8 Ni O4 -","- C15 H18 N8 Ni O4 -","- C30 H36 N16 Ni2 O8 -","2","1","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.0561","0.0529","","","0.1392","0.1419","","","","","","1.038","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509613","13.949","0.002","10.1892","0.0015","20.222","0.002","90","","116.857","0.008","90","","2564.1","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N22 Ni3 O12 -","- C40 H58 N22 Ni3 O12 -","- C80 H116 N44 Ni6 O24 -","2","0.5","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.0715","0.0536","","","0.1052","0.1105","","","","","","1.073","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509614","9.4569","0.0018","11.444","0.002","17.664","0.003","90","","90","","90","","1911.7","0.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N8 Ni O5 -","- C15 H20 N8 Ni O5 -","- C60 H80 N32 Ni4 O20 -","4","1","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.0658","0.0555","","","0.101","0.1032","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509615","17.978","0.003","11.64","0.002","10.0043","0.0017","90","","93.933","0.004","90","","2088.6","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N8 O7 Zn -","- C15 H24 N8 O7 Zn -","- C60 H96 N32 O28 Zn4 -","4","1","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.0796","0.0571","","","0.1098","0.1161","","","","","","1.036","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509616","12.762","0.004","16.866","0.005","19.373","0.004","90","","130.191","0.013","90","","3185.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 Eu2 N6 O25 -","- C15 H12 Eu2 N6 O25 -","- C60 H48 Eu8 N24 O100 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Chen, Jianshan; Xiang, Shengchang; Shen, Chaojun; Wu, Xintao","Novel Structures and Luminescence Properties of Lanthanide Coordination Polymers with a Novel Flexible Polycarboxylate Ligand§","Crystal Growth & Design","2009","9","12","5128","","10.1021/cg900518s","","","0.71073","MoKα","","0.0645","0.0489","","","0.0956","0.1044","","","","","","1.092","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509617","12.75","0.004","16.808","0.006","19.318","0.005","90","","130.35","0.014","90","","3155","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 N6 O25 Tb2 -","- C15 H12 N6 O25 Tb2 -","- C60 H48 N24 O100 Tb8 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Chen, Jianshan; Xiang, Shengchang; Shen, Chaojun; Wu, Xintao","Novel Structures and Luminescence Properties of Lanthanide Coordination Polymers with a Novel Flexible Polycarboxylate Ligand§","Crystal Growth & Design","2009","9","12","5128","","10.1021/cg900518s","","","0.71073","MoKα","","0.0304","0.0285","","","0.075","0.0764","","","","","","1.078","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509618","12.748","0.004","16.844","0.006","14.802","0.006","90","","90.989","0.007","90","","3178","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 Dy2 N6 O25 -","- C15 H12 Dy2 N6 O25 -","- C60 H48 Dy8 N24 O100 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Chen, Jianshan; Xiang, Shengchang; Shen, Chaojun; Wu, Xintao","Novel Structures and Luminescence Properties of Lanthanide Coordination Polymers with a Novel Flexible Polycarboxylate Ligand§","Crystal Growth & Design","2009","9","12","5128","","10.1021/cg900518s","","","0.71073","MoKα","","0.0657","0.0561","","","0.1692","0.1844","","","","","","1.036","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509619","12.767","0.004","16.867","0.005","19.354","0.005","90","","130.276","0.014","90","","3179.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 Gd2 N6 O25 -","- C15 H12 Gd2 N6 O25 -","- C60 H48 Gd8 N24 O100 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Chen, Jianshan; Xiang, Shengchang; Shen, Chaojun; Wu, Xintao","Novel Structures and Luminescence Properties of Lanthanide Coordination Polymers with a Novel Flexible Polycarboxylate Ligand§","Crystal Growth & Design","2009","9","12","5128","","10.1021/cg900518s","","","0.71073","MoKα","","0.0404","0.0298","","","0.0896","0.1115","","","","","","1.047","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509620","9.249","0.005","11.311","0.005","12.162","0.006","62.333","0.014","87.39","0.02","77.24","0.02","1096.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 O14 Yb2 -","- C15 H12 N6 O14 Yb2 -","- C30 H24 N12 O28 Yb4 -","2","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Chen, Jianshan; Xiang, Shengchang; Shen, Chaojun; Wu, Xintao","Novel Structures and Luminescence Properties of Lanthanide Coordination Polymers with a Novel Flexible Polycarboxylate Ligand§","Crystal Growth & Design","2009","9","12","5128","","10.1021/cg900518s","","","0.71073","MoKα","","0.0833","0.0585","","","0.1463","0.1601","","","","","","0.992","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509621","45.375","0.009","9.981","0.002","8.0212","0.0016","90","","94.78","0.03","90","","3620.1","1.3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Cl2 Fe2 O8 Zn -","- C35 H34 Cl2 Fe2 O8 Zn -","- C140 H136 Cl8 Fe8 O32 Zn4 -","4","0.5","","Li, Jinpeng; Li, Linke; Hou, Hongwei; Fan, Yaoting","Study on the Reaction of Polymeric Zinc Ferrocenyl Carboxylate with Pb(II) or Cd(II)","Crystal Growth & Design","2009","9","10","4504","","10.1021/cg9005218","","","0.71073","MoKα","","0.0655","0.0563","","","0.1601","0.1666","","","","","","1.107","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509622","45.302","0.009","9.953","0.002","7.9918","0.0016","90","","94.74","0.03","90","","3591.1","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H48 Cl4 Fe4 O16 Pb0.52 Zn1.48 -","- C68 H48 Cl4 Fe4 O16 Pb0.52 Zn1.48 -","- C136 H96 Cl8 Fe8 O32 Pb1.04 Zn2.96 -","2","0.25","","Li, Jinpeng; Li, Linke; Hou, Hongwei; Fan, Yaoting","Study on the Reaction of Polymeric Zinc Ferrocenyl Carboxylate with Pb(II) or Cd(II)","Crystal Growth & Design","2009","9","10","4504","","10.1021/cg9005218","","","0.71073","MoKα","","0.1249","0.0815","","","0.251","0.2867","","","","","","0.983","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509623","45.298","0.009","9.951","0.002","7.9878","0.0016","90","","94.79","0.03","90","","3588","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H48 Cd0.36 Cl4 Fe4 O16 Zn1.64 -","- C68 H48 Cd0.36 Cl4 Fe4 O16 Zn1.64 -","- C136 H96 Cd0.72 Cl8 Fe8 O32 Zn3.28 -","2","0.25","","Li, Jinpeng; Li, Linke; Hou, Hongwei; Fan, Yaoting","Study on the Reaction of Polymeric Zinc Ferrocenyl Carboxylate with Pb(II) or Cd(II)","Crystal Growth & Design","2009","9","10","4504","","10.1021/cg9005218","","","0.71073","MoKα","","0.0963","0.0556","","","0.1826","0.1967","","","","","","0.999","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509624","8.2338","0.0016","14.404","0.003","14.754","0.003","80.99","0.03","84.24","0.03","78","0.03","1686.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Cl2 Fe2 O6 Pb -","- C36 H32 Cl2 Fe2 O6 Pb -","- C72 H64 Cl4 Fe4 O12 Pb2 -","2","1","","Li, Jinpeng; Li, Linke; Hou, Hongwei; Fan, Yaoting","Study on the Reaction of Polymeric Zinc Ferrocenyl Carboxylate with Pb(II) or Cd(II)","Crystal Growth & Design","2009","9","10","4504","","10.1021/cg9005218","","","0.71073","MoKα","","0.034","0.0307","","","0.0683","0.0702","","","","","","1.066","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509625","8.4181","0.0013","45.214","0.007","9.743","0.0015","90","","90","","90","","3708.3","1","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H30 Cd Cl2 Fe2 O8 -","- C35 H24 Cd Cl2 Fe2 O8 -","- C140 H96 Cd4 Cl8 Fe8 O32 -","4","0.5","","Li, Jinpeng; Li, Linke; Hou, Hongwei; Fan, Yaoting","Study on the Reaction of Polymeric Zinc Ferrocenyl Carboxylate with Pb(II) or Cd(II)","Crystal Growth & Design","2009","9","10","4504","","10.1021/cg9005218","","","0.71073","MoKα","","0.0824","0.0723","","","0.2023","0.2101","","","","","","1.186","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509626","8.9065","0.0002","15.0925","0.0003","8.5028","0.0002","90","","96.26","0.001","90","","1136.14","0.04","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H14 Gd2 O19 -","- C16 H14 Gd2 O19 -","- C32 H28 Gd4 O38 -","2","0.5","","Gurunatha, K. L.; Mohapatra, Sudip; Suchetan, P. A.; Maji, Tapas Kumar","Single-Crystal-to-Single-Crystal Structural Transformation in a Flexible Porous Gadolinium-Organic Framework with Selective and Controlled Sorption Properties","Crystal Growth & Design","2009","9","9","3844","","10.1021/cg900541a","","","0.71073","MoKα","","0.0337","0.0285","","","0.0753","0.0783","","","","","","1.054","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509627","8.8975","0.0005","15.1126","0.0011","8.496","0.0006","90","","96.21","0.005","90","","1135.71","0.13","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H14 Gd2 O17 -","- C16 H14 Gd2 O17 -","- C32 H28 Gd4 O34 -","2","0.5","","Gurunatha, K. L.; Mohapatra, Sudip; Suchetan, P. A.; Maji, Tapas Kumar","Single-Crystal-to-Single-Crystal Structural Transformation in a Flexible Porous Gadolinium-Organic Framework with Selective and Controlled Sorption Properties","Crystal Growth & Design","2009","9","9","3844","","10.1021/cg900541a","","","0.71073","MoKα","","0.1266","0.0689","","","0.1396","0.1737","","","","","","1.07","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509628","8.916","0.0007","15.1027","0.0014","8.5126","0.0008","90","","96.304","0.005","90","","1139.34","0.18","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H4 Gd2 O19 -","- C16 H4 Gd2 O19 -","- C32 H8 Gd4 O38 -","2","0.5","","Gurunatha, K. L.; Mohapatra, Sudip; Suchetan, P. A.; Maji, Tapas Kumar","Single-Crystal-to-Single-Crystal Structural Transformation in a Flexible Porous Gadolinium-Organic Framework with Selective and Controlled Sorption Properties","Crystal Growth & Design","2009","9","9","3844","","10.1021/cg900541a","","","0.71073","MoKα","","0.1448","0.0756","","","0.1384","0.1649","","","","","","1.046","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509629","11.3836","0.0004","8.2281","0.0003","16.0591","0.0006","90","","99.467","0.001","90","","1483.7","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N4 O2 -","- C15 H19 N4 O2 -","- C60 H76 N16 O8 -","4","1","","Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju","Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids","Crystal Growth & Design","2009","9","12","5164","","10.1021/cg900559q","","","0.71073","MoKα","","0.058","0.0454","","","0.1241","0.1348","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509630","15.9936","0.0011","15.8382","0.0011","7.7126","0.0005","90","","101.528","0.002","90","","1914.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C80 H88 N16 O24 -","4","1","","Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju","Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids","Crystal Growth & Design","2009","9","12","5164","","10.1021/cg900559q","","","0.71073","MoKα","","0.0574","0.0387","","","0.0901","0.099","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509631","12.4959","0.0002","15.5263","0.0002","16.1305","0.0002","90","","101.358","0.001","90","","3068.27","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 N4 O16 -","- C31 H28 N4 O16 -","- C124 H112 N16 O64 -","4","0.5","","Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju","Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids","Crystal Growth & Design","2009","9","12","5164","","10.1021/cg900559q","","","0.71073","MoKα","","0.0649","0.0463","","","0.1183","0.1298","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509632","8.9647","0.0002","9.5264","0.0002","18.175","0.0004","86.32","0.001","83.939","0.001","62.972","0.001","1374.69","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N4 O14 -","- C26 H29 N4 O14 -","- C52 H58 N8 O28 -","2","1","","Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju","Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids","Crystal Growth & Design","2009","9","12","5164","","10.1021/cg900559q","","","0.71073","MoKα","","0.055","0.0426","","","0.107","0.1139","","","","","","1.071","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509633","7.9325","0.0004","9.4304","0.0004","32.1998","0.0014","94.869","0.002","95.309","0.002","105.175","0.002","2299.83","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 N8 O13 -","- C46 H52 N8 O13 -","- C92 H104 N16 O26 -","2","1","","Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju","Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids","Crystal Growth & Design","2009","9","12","5164","","10.1021/cg900559q","","","0.71073","MoKα","","0.0771","0.0489","","","0.1139","0.1279","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509634","8.588","0.0006","15.6232","0.0011","21.717","0.0015","90","","90","","90","","2913.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H20 N4 O2 -","- C13 H20 N4 O2 -","- C104 H160 N32 O16 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju","Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids","Crystal Growth & Design","2009","9","12","5164","","10.1021/cg900559q","","","0.71073","MoKα","","0.075","0.0563","","","0.1394","0.1511","","","","","","1.058","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509635","7.4147","0.0015","9.996","0.002","13.126","0.003","71.03","0.03","82.94","0.03","69.76","0.03","863.2","0.4","193","2","193.1","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Ag N2 O4 -","- C20 H15 Ag N2 O4 -","- C40 H30 Ag2 N4 O8 -","2","1","","Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Yang; Zhang, Yong; Lang, Jian-Ping","Encapsulation of Unusual Nitrate−Water Cluster [(NO3)4(H2O)6]4−Anions into Cages of a Three-Dimensional Cationic Coordination Polymer","Crystal Growth & Design","2009","9","10","4562","","10.1021/cg900576j","","","0.71073","MoKα","","0.0429","0.037","","","0.0844","0.088","","","","","","1.08","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509636","15.9","0.002","15.9","0.002","15.9","0.002","90","","90","","90","","4019.7","0.9","193","2","193.1","0.2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C36 H36 Ag2 N8 O9 -","- C36 H36 Ag2 N8 O9 -","- C144 H144 Ag8 N32 O36 -","4","0.0833333","","Liu, Dong; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Yang; Zhang, Yong; Lang, Jian-Ping","Encapsulation of Unusual Nitrate−Water Cluster [(NO3)4(H2O)6]4−Anions into Cages of a Three-Dimensional Cationic Coordination Polymer","Crystal Growth & Design","2009","9","10","4562","","10.1021/cg900576j","","","0.71073","MoKα","","0.0699","0.0696","","","0.2084","0.2087","","","","","","1.199","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509637","6.198","0.0009","7.2218","0.001","16.044","0.002","98.721","0.002","96.478","0.002","93.288","0.003","703.28","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","1","0.5","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0853","0.0546","","","0.14","0.1522","","","","","","0.925","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509638","7.5443","0.0004","28.7511","0.0013","16.8787","0.0008","90","","93.225","0.003","90","","3655.3","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H45 N7 O11 S2 -","- C33 H45 N7 O11 S2 -","- C132 H180 N28 O44 S8 -","4","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0507","0.0401","","","0.102","0.1088","","","","","","1.08","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509639","6.2233","0.0002","7.1835","0.0002","15.9689","0.0005","98.037","0.002","96.969","0.002","93.053","0.002","699.86","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H N9 O8 S2 -","- C27.922 H17.44 N8 O6 S2 -","- C27.922 H17.44 N8 O6 S2 -","1","0.5","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0568","0.0483","","","0.1281","0.1349","","","","","","1.104","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509640","7.6955","0.0012","28.666","0.005","10.1866","0.0016","90","","93.618","0.002","90","","2242.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","06174","","","- C19 H31 N4 O5 S -","- C19 H31 N4 O5 S -","- C76 H124 N16 O20 S4 -","4","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0447","0.0337","","","0.0854","0.0908","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509641","7.5933","0.0008","32.042","0.004","9.7843","0.0011","90","","91.672","0.002","90","","2379.6","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N8 O10 S2 -","- C44 H58 N8 O10 S2 -","- C88 H116 N16 O20 S4 -","2","0.5","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0578","0.0389","","","0.0902","0.0995","","","","","","1.009","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509642","22.348","0.003","7.2898","0.0009","27.136","0.003","90","","90","","90","","4420.8","0.9","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H54 N8 O10 S2 -","- C42 H54 N8 O10 S2 -","- C168 H216 N32 O40 S8 -","4","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0489","0.0427","","","0.1087","0.1141","","","","","","1.018","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509643","29.6484","0.0015","16.7796","0.0008","23.302","0.0012","90","","110.434","0.002","90","","10863","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C544 H544 N32 O96 -","32","4","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.1431","0.1125","","","0.3004","0.356","","","","","","1.387","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509644","21.2661","0.0005","12.6664","0.0003","19.8581","0.0005","90","","93.233","0.001","90","","5340.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H61 N11 O13 S3 -","- C46 H61 N11 O13 S3 -","- C184 H244 N44 O52 S12 -","4","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0566","0.0372","","","0.0856","0.0946","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509645","7.3931","0.0002","26.6667","0.0008","11.7311","0.0003","90","","102.382","0.001","90","","2258.99","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 N8 O10 S2 -","- C42 H62 N8 O10 S2 -","- C84 H124 N16 O20 S4 -","2","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0491","0.0442","","","0.1102","0.1123","","","","","","1.105","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509646","13.5107","0.0005","30.28","0.0011","12.6926","0.0004","90","","90","","90","","5192.6","0.3","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C50 H58 N8 O12 S2 -","- C50 H58 N8 O12 S2 -","- C200 H232 N32 O48 S8 -","4","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0974","0.0813","","","0.2254","0.2415","","","","","","1.063","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509647","14.5643","0.0011","11.7978","0.0009","26.4477","0.0019","90","","90","","90","","4544.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","06035","","","- C22 H27 N4 O5 S -","- C22 H27 N4 O5 S -","- C176 H216 N32 O40 S8 -","8","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.041","0.0359","","","0.0951","0.0985","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509648","6.2094","0.0006","7.2165","0.0007","15.7926","0.0015","96.33","0.002","96.881","0.002","93.186","0.002","696.59","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","- C14 H20 N8 O6 S2 -","1","0.5","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.039","0.0373","","","0.1079","0.1094","","","","","","1.089","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509649","13.8848","0.0004","12.2852","0.0004","26.8605","0.0009","90","","90","","90","","4581.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H27 N4 O5 S -","- C24 H27 N4 O5 S -","- C192 H216 N32 O40 S8 -","8","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0648","0.0541","","","0.1353","0.1478","","","","","","1.064","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509650","7.6611","0.0004","31.3689","0.0016","9.961","0.0005","90","","94.132","0.001","90","","2387.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N8 O10 S2 -","- C44 H56 N8 O10 S2 -","- C88 H112 N16 O20 S4 -","2","0.5","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0585","0.043","","","0.1151","0.1253","","","","","","1.053","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509651","13.1383","0.0014","27.585","0.003","12.4518","0.0013","90","","90","","90","","4512.8","0.8","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","05280","","","- C23 H27 N4 O5 S -","- C23 H27 N4 O5 S -","- C184 H216 N32 O40 S8 -","8","","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0334","0.0308","","","0.0758","0.0773","","","","","","0.945","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509652","6.6862","0.0007","7.7976","0.0008","10.6689","0.0012","100.038","0.004","98.454","0.004","106.649","0.004","513.2","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N6 O6 S2 -","- C16 H24 N6 O6 S2 -","- C16 H24 N6 O6 S2 -","1","0.5","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0342","0.0321","","","0.0927","0.0979","","","","","","1.132","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509653","12.6639","0.0006","31.3013","0.0015","13.2474","0.0007","90","","90.765","0.003","90","","5250.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 N8 O14 S2 -","- C52 H62 N8 O14 S2 -","- C208 H248 N32 O56 S8 -","4","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0603","0.049","","","0.1201","0.1264","","","","","","1.075","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509654","7.6405","0.0005","14.0326","0.0009","16.193","0.001","65.485","0.003","76.713","0.003","86.331","0.003","1536.39","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N7 O10 S2 -","- C29 H33 N7 O10 S2 -","- C58 H66 N14 O20 S4 -","2","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0376","0.0344","","","0.0991","0.1024","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509655","7.4073","0.0005","26.7956","0.0017","12.3008","0.0007","90","","106.83","0.001","90","","2336.9","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H54 N10 O10 S2 -","- C42 H54 N10 O10 S2 -","- C84 H108 N20 O20 S4 -","2","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0605","0.0435","","","0.1013","0.1104","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509656","14.368","0.003","16.605","0.004","26.351","0.007","80.594","0.01","80.948","0.009","67.301","0.008","5691","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 Cu6 N12 O76 P4 W18 -","- C72 H60 Cu6 N12 O76 P4 W18 -","- C144 H120 Cu12 N24 O152 P8 W36 -","2","1","","Yang, Hongxun; Guo, Shengping; Tao, Jun; Lin, Jingxiang; Cao, Rong","Hydrothermal Syntheses, Crystal Structures, And Magnetic Properties of a Series of Complexes Constructed from Multinuclear Copper Clusters and Polyoxometalates","Crystal Growth & Design","2009","9","11","4735","","10.1021/cg9005983","","","0.71073","MoKα","","0.0811","0.0663","","","0.1543","0.1724","","","","","","1.038","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509657","24.315","0.005","11.846","0.002","24.468","0.004","90","","97.635","0.004","90","","6985","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Cl Cu2 N8 O40 P W12 -","- C48 H32 Cl Cu2 N8 O40 P W12 -","- C192 H128 Cl4 Cu8 N32 O160 P4 W48 -","4","0.5","","Yang, Hongxun; Guo, Shengping; Tao, Jun; Lin, Jingxiang; Cao, Rong","Hydrothermal Syntheses, Crystal Structures, And Magnetic Properties of a Series of Complexes Constructed from Multinuclear Copper Clusters and Polyoxometalates","Crystal Growth & Design","2009","9","11","4735","","10.1021/cg9005983","","","0.71073","MoKα","","0.0604","0.0521","","","0.139","0.1568","","","","","","1.149","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509658","10.671","0.0006","14.2402","0.0002","14.3715","0.0001","61.139","0.005","85.416","0.008","85.602","0.009","1904.67","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H48 Cu4 N8 O54 P3 V3 W9 -","- C48 H46 Cu4 N8 O54 P3 V3.036 W8.964 -","- C48 H46 Cu4 N8 O54 P3 V3.036 W8.964 -","1","0.5","","Yang, Hongxun; Guo, Shengping; Tao, Jun; Lin, Jingxiang; Cao, Rong","Hydrothermal Syntheses, Crystal Structures, And Magnetic Properties of a Series of Complexes Constructed from Multinuclear Copper Clusters and Polyoxometalates","Crystal Growth & Design","2009","9","11","4735","","10.1021/cg9005983","","","0.71073","MoKα","","0.0832","0.0522","","","0.1816","0.1837","","","","","","1.084","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509659","12.0086","0.0017","12.1777","0.0013","13.547","0.002","103.265","0.005","108.906","0.006","90.863","0.004","1815.6","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H42 Cu4 N8 O52 P3 V W11 -","- C40 H42 Cu4 N8 O52 P3 V1.128 W10.872 -","- C40 H42 Cu4 N8 O52 P3 V1.128 W10.872 -","1","0.5","","Yang, Hongxun; Guo, Shengping; Tao, Jun; Lin, Jingxiang; Cao, Rong","Hydrothermal Syntheses, Crystal Structures, And Magnetic Properties of a Series of Complexes Constructed from Multinuclear Copper Clusters and Polyoxometalates","Crystal Growth & Design","2009","9","11","4735","","10.1021/cg9005983","","","0.71073","MoKα","","0.054","0.0395","","","0.0964","0.1197","","","","","","1.126","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509660","13.6971","0.0015","13.628","0.0015","18.634","0.002","90","","105.895","0.002","90","","3345.3","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H18 Co2 F8 N4 O9 -","- C36 H18 Co2 F8 N4 O9 -","- C144 H72 Co8 F32 N16 O36 -","4","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.7749","","","0.0532","0.0418","","","0.0847","0.0901","","","","","","0.982","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509661","13.8311","0.0018","13.7846","0.0019","18.904","0.003","90","","104.92","0.003","90","","3482.7","0.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H18 F8 Mn2 N4 O9 -","- C36 H18 F8 Mn2 N4 O9 -","- C144 H72 F32 Mn8 N16 O36 -","4","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.1222","0.0671","","","0.136","0.1622","","","","","","0.967","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509662","10.5699","0.0007","12.9603","0.0008","13.4373","0.0009","90","","107.936","0.002","90","","1751.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H9 F4 Mn N2 O4.5 -","- C18 H8 F4 Mn N2 O4.5 -","- C72 H32 F16 Mn4 N8 O18 -","4","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.049","0.0432","","","0.1048","0.1093","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509663","8.247","0.003","9.535","0.003","11.261","0.004","74.189","0.005","70.491","0.005","76.021","0.005","791.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Cu F4 N2 O4 -","- C18 H8 Cu F4 N2 O4 -","- C36 H16 Cu2 F8 N4 O8 -","2","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.0971","0.062","","","0.1252","0.1418","","","","","","1.058","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509664","9.369","0.002","13.436","0.003","13.359","0.003","90","","104.958","0.006","90","","1624.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Cu F4 N2 O4 -","- C18 H8 Cu F4 N2 O4 -","- C72 H32 Cu4 F16 N8 O16 -","4","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.1656","0.0877","","","0.1475","0.1766","","","","","","1.074","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509665","26.9256","0.0017","12.9697","0.0008","16.6178","0.001","90","","90","","90","","5803.2","0.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H9 Cu F4 N2 O4.5 -","- C14 H8 Cu F4 N2 O4.5 -","- C224 H128 Cu16 F64 N32 O72 -","16","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.0463","0.0412","","","0.0975","0.1008","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509666","10.3712","0.0015","14.876","0.002","10.656","0.0015","90","","103.666","0.004","90","","1597.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cu F4 N2 O6 -","- C14 H12 Cu F4 N2 O6 -","- C56 H48 Cu4 F16 N8 O24 -","4","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.1175","0.0713","","","0.1407","0.1607","","","","","","1.085","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509667","8.787","0.002","10.34","0.003","10.42","0.003","78.645","0.004","79.29","0.004","71.291","0.004","871.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 F4 N2 O5 Zn -","- C18 H10 F4 N2 O5 Zn -","- C36 H20 F8 N4 O10 Zn2 -","2","1","","Hulvey, Zeric; Ayala, Elizabeth; Furman, Joshua D.; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity in Coordination Polymers Composed of Divalent Transition Metals, 2,2′-Bipyridine, and Perfluorinated Dicarboxylates","Crystal Growth & Design","2009","9","11","4759","","10.1021/cg9006058","","","0.71073","MoKα","","0.0954","0.0586","","","0.1304","0.15","","","","","","1.013","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509668","8.1541","0.0009","10.4047","0.0011","14.2934","0.0015","100.014","0.003","93.657","0.002","105.699","0.002","1141.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N4 O10 Zn2 -","- C22 H16 N4 O10 Zn2 -","- C44 H32 N8 O20 Zn4 -","2","1","","Su, Zhi; Bai, Zheng-Shuai; Fan, Jian; Xu, Jing; Sun, Wei-Yin","Synthesis and Characterization of 3d-3d Homo- and Heterometallic Coordination Polymers with Mixed Ligands","Crystal Growth & Design","2009","9","12","5190","","10.1021/cg900613p","","","0.71073","MoKα","","0.0473","0.0416","","","0.1052","0.1088","","","","","","0.964","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509669","8.827","0.002","9.906","0.003","13.939","0.004","100.01","0.004","102.604","0.004","110.8","0.003","1068.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cd Co N4 O9 -","- C22 H14 Cd Co N4 O9 -","- C44 H28 Cd2 Co2 N8 O18 -","2","1","","Su, Zhi; Bai, Zheng-Shuai; Fan, Jian; Xu, Jing; Sun, Wei-Yin","Synthesis and Characterization of 3d-3d Homo- and Heterometallic Coordination Polymers with Mixed Ligands","Crystal Growth & Design","2009","9","12","5190","","10.1021/cg900613p","","","0.71073","MoKα","","0.071","0.0633","","","0.1636","0.1687","","","","","","1.039","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509670","9.6315","0.0012","9.8856","0.0013","15.734","0.002","90","","106.78","0.002","90","","1434.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O2 -","- C15.58 H13.44 N3 O2 -","- C62.32 H53.76 N12 O8 -","4","1","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.0754","0.0595","","","0.1512","0.1618","","","","","","1.066","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509671","13.0874","0.0016","7.4431","0.0009","14.9811","0.0018","90","","108.472","0.002","90","","1384.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.064","0.0472","","","0.1147","0.1239","","","","","","0.979","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509672","31.737","0.006","5.651","0.0011","7.619","0.0015","90","","96.54","0.03","90","","1357.5","0.5","296","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","","MoKα","","0.0414","0.0357","","","0.1025","0.1085","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509673","6.0065","0.0018","7.828","0.002","14.679","0.004","101.28","0.005","94.111","0.005","97.453","0.005","667.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N6 O2 -","- C30 H32 N6 O2 -","- C30 H32 N6 O2 -","1","0.5","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.0892","0.0647","","","0.1559","0.1706","","","","","","0.994","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509674","4.1191","0.0008","7.3004","0.0015","13.126","0.003","95.669","0.004","90.19","0.003","92.231","0.003","392.47","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H14 I N3 O2 -","- C16 H14 I N3 O2 -","- C16 H14 I N3 O2 -","1","1","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.0482","0.0473","","","0.1229","0.1234","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509675","9.0219","0.0008","9.367","0.0008","13.8973","0.0012","105.905","0.002","90.768","0.002","104.24","0.002","1090.65","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 I2 N3 O3 -","- C20 H21 I2 N3 O3 -","- C40 H42 I4 N6 O6 -","2","1","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.0447","0.0389","","","0.1011","0.1094","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509676","10.5118","0.0011","11.2359","0.0012","17.9193","0.0019","102.714","0.002","94.13","0.002","99.117","0.002","2025.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N3 O3 -","- C22 H23 N3 O3 -","- C88 H92 N12 O12 -","4","2","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.1124","0.0556","","","0.1179","0.1378","","","","","","0.84","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509677","4.987","0.0007","15.866","0.002","18.134","0.002","90","","96.121","0.003","90","","1426.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N6 O4 -","- C32 H36 N6 O4 -","- C64 H72 N12 O8 -","2","0.5","","Zhu, Yuan-Yuan; Wang, Gui-Tao; Wang, Ren-Xiao; Li, Zhan-Ting","Intramolecular Six-Membered and Three-Center C−H···O Hydrogen Bonding in 1,4-Diphenyl-1,2,3-Triazoles","Crystal Growth & Design","2009","9","11","4778","","10.1021/cg9006197","","","0.71073","MoKα","","0.0694","0.0512","","","0.1251","0.1334","","","","","","0.962","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509678","9.8029","0.0003","12.4532","0.0004","16.2953","0.0005","89.42","0.001","89.667","0.001","77.057","0.002","1938.64","0.11","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","1,1'-Diphenyl-3,3'-methylenediimidazolium bis(bromide)","","- C19 H20 Br2 N4 O -","- C19 H20 Br2 N4 O -","- C76 H80 Br8 N16 O4 -","4","2","","Leclercq, Loïc; Noujeim, Nadim; Schmitzer, Andreea R.","Development ofN,N′-Diaromatic Diimidazolium Cations: Arene Interactions for Highly Organized Crystalline Materials","Crystal Growth & Design","2009","9","11","4784","","10.1021/cg900630a","","","1.54178","CuKα","","0.0362","0.0343","","","0.0909","0.0923","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509679","12.2729","0.0011","7.323","0.0008","16.1223","0.0014","90","","111.966","0.003","90","","1343.8","0.2","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","1,1'-Diphenyl-3,3'-xylylenediimidazolium bis(bromide)","","- C26 H32 Br2 N4 O4 -","- C26 H32 Br2 N4 O4 -","- C52 H64 Br4 N8 O8 -","2","0.5","","Leclercq, Loïc; Noujeim, Nadim; Schmitzer, Andreea R.","Development ofN,N′-Diaromatic Diimidazolium Cations: Arene Interactions for Highly Organized Crystalline Materials","Crystal Growth & Design","2009","9","11","4784","","10.1021/cg900630a","","","1.54178","CuKα","","0.0525","0.0521","","","0.1468","0.1471","","","","","","1.102","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509680","32.8179","0.0008","5.0964","0.0002","12.4602","0.0003","90","","102.495","0.001","90","","2034.65","0.11","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","1,1'-Dibenzyl-3,3'-methylenediimidazolium bis(bromide)","","- C21 H22 Br2 N4 -","- C21 H22 Br2 N4 -","- C84 H88 Br8 N16 -","4","0.5","","Leclercq, Loïc; Noujeim, Nadim; Schmitzer, Andreea R.","Development ofN,N′-Diaromatic Diimidazolium Cations: Arene Interactions for Highly Organized Crystalline Materials","Crystal Growth & Design","2009","9","11","4784","","10.1021/cg900630a","","","1.54178","CuKα","","0.0312","0.0298","","","0.123","0.1283","","","","","","0.834","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509681","10.609","0.0003","11.4607","0.0004","10.5336","0.0004","90","","97.615","0.001","90","","1269.45","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Dibenzyl-3,3'-xylylenediimidazolium bis(bromide)","","- C28 H28 Br2 N4 -","- C28 H28 Br2 N4 -","- C56 H56 Br4 N8 -","2","0.5","","Leclercq, Loïc; Noujeim, Nadim; Schmitzer, Andreea R.","Development ofN,N′-Diaromatic Diimidazolium Cations: Arene Interactions for Highly Organized Crystalline Materials","Crystal Growth & Design","2009","9","11","4784","","10.1021/cg900630a","","","1.54178","CuKα","","0.0295","0.0289","","","0.0784","0.0792","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509682","14.8704","0.0009","15.4414","0.0009","41.659","0.003","90","","90","","90","","9565.7","1.1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C15.5 H12.5 Br4 Cl Cu N0.5 O S4 -","- C15.5 H12.5 Br4 Cl Cu N0.5 O S4 -","- C248 H200 Br64 Cl16 Cu16 N8 O16 S64 -","16","2","","Wang, Yu; Cui, Shuxin; Li, Bo; Zhang, Jingping; Zhang, Yan","Synthesis and Characterization of Monosubstituted TTF and Its Solvent Dependent Mono- and Dication Charge-Transfer Salts","Crystal Growth & Design","2009","9","9","3855","","10.1021/cg900635f","","","0.71073","MoKα","","0.1023","0.048","","","0.0932","0.1109","","","","","","1.002","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509683","8.292","0.005","10.176","0.005","20.99","0.005","82.76","0.005","79.828","0.005","81.395","0.005","1714.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Br4 Cu O2 S8 -","- C28 H20 Br4 Cu O2 S8 -","- C56 H40 Br8 Cu2 O4 S16 -","2","1","","Wang, Yu; Cui, Shuxin; Li, Bo; Zhang, Jingping; Zhang, Yan","Synthesis and Characterization of Monosubstituted TTF and Its Solvent Dependent Mono- and Dication Charge-Transfer Salts","Crystal Growth & Design","2009","9","9","3855","","10.1021/cg900635f","","","0.71069","MoKα","","0.06","0.0397","","","0.0869","0.0951","","","","","","0.978","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509684","8.66","0.0017","10.165","0.002","14.866","0.003","70.94","0.03","89.63","0.03","89.69","0.03","1236.9","0.5","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Co N4 O4 -","- C26 H26 Co N4 O4 -","- C52 H52 Co2 N8 O8 -","2","1","","Liu, Yang; Qi, Yan; Lv, Yan-Yan; Che, Yun-Xia; Zheng, Ji-Min","Polyrotaxane-like and Interpenetrating Metal−Organic Frameworks (MOFs) Constructed from Biphenyl-4,4′-Dicarboxylate and Bis(imidazole) Ligand","Crystal Growth & Design","2009","9","11","4797","","10.1021/cg9006372","","x-ray","0.71073","MoKα","","0.1138","0.0633","","","0.1362","0.1585","","","","","","1.021","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509685","8.8761","0.0018","10.049","0.002","14.57","0.003","71.97","0.03","86.19","0.03","88.39","0.03","1233","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Co N4 O4 -","- C28 H22 Co N4 O4 -","- C56 H44 Co2 N8 O8 -","2","1","","Liu, Yang; Qi, Yan; Lv, Yan-Yan; Che, Yun-Xia; Zheng, Ji-Min","Polyrotaxane-like and Interpenetrating Metal−Organic Frameworks (MOFs) Constructed from Biphenyl-4,4′-Dicarboxylate and Bis(imidazole) Ligand","Crystal Growth & Design","2009","9","11","4797","","10.1021/cg9006372","","","0.71073","MoKα","","0.0792","0.055","","","0.1397","0.1547","","","","","","1.034","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509686","9.6164","0.0019","11.627","0.002","17.788","0.004","99.1","0.03","95.66","0.03","101.7","0.03","1905.4","0.7","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H35 Co N10 O5 -","- C44 H35 Co N10 O5 -","- C88 H70 Co2 N20 O10 -","2","1","","Liu, Yang; Qi, Yan; Lv, Yan-Yan; Che, Yun-Xia; Zheng, Ji-Min","Polyrotaxane-like and Interpenetrating Metal−Organic Frameworks (MOFs) Constructed from Biphenyl-4,4′-Dicarboxylate and Bis(imidazole) Ligand","Crystal Growth & Design","2009","9","11","4797","","10.1021/cg9006372","","x-ray","0.71073","MoKα","","0.1693","0.08","","","0.1609","0.1981","","","","","","1.018","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509687","7.721","0.0015","10.433","0.002","23.876","0.006","90","","106.52","0.03","90","","1843.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N2 O8 Zn -","- C15 H21 N2 O8 Zn -","- C60 H84 N8 O32 Zn4 -","4","1","","Chang, Ze; Zhang, Ai-Shun; Hu, Tong-Liang; Bu, Xian-He","ZnIICoordination Poylmers Based on 2,3,6,7-Anthracenetetracarboxylic Acid: Synthesis, Structures, and Luminescence Properties","Crystal Growth & Design","2009","9","11","4840","","10.1021/cg900659r","","","0.71075","MoKα","","0.1401","0.0674","","","0.0964","0.1153","","","","","","1.022","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509688","9.869","0.002","19.785","0.004","11.9","0.005","90","","119.65","0.02","90","","2019.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 O6 Zn -","- C20 H21 N3 O6 Zn -","- C80 H84 N12 O24 Zn4 -","4","1","","Chang, Ze; Zhang, Ai-Shun; Hu, Tong-Liang; Bu, Xian-He","ZnIICoordination Poylmers Based on 2,3,6,7-Anthracenetetracarboxylic Acid: Synthesis, Structures, and Luminescence Properties","Crystal Growth & Design","2009","9","11","4840","","10.1021/cg900659r","","","0.71073","MoKα","","0.0653","0.0558","","","0.1119","0.1176","","","","","","1.128","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509689","10.101","0.002","21.058","0.004","12.215","0.005","90","","126.511","0.019","90","","2088.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N4 O6 Zn -","- C20 H21 N4 O6 Zn -","- C80 H84 N16 O24 Zn4 -","4","1","","Chang, Ze; Zhang, Ai-Shun; Hu, Tong-Liang; Bu, Xian-He","ZnIICoordination Poylmers Based on 2,3,6,7-Anthracenetetracarboxylic Acid: Synthesis, Structures, and Luminescence Properties","Crystal Growth & Design","2009","9","11","4840","","10.1021/cg900659r","","","0.71073","MoKα","","0.072","0.0497","","","0.1016","0.1104","","","","","","1.018","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509690","14.705","0.003","14.636","0.003","11.656","0.002","90","","97.8","0.03","90","","2485.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C96 H76 N18 O24 Zn4 -","- C96 H76 N18 O24 Zn4 -","- C96 H76 N18 O24 Zn4 -","1","0.125","","Chang, Ze; Zhang, Ai-Shun; Hu, Tong-Liang; Bu, Xian-He","ZnIICoordination Poylmers Based on 2,3,6,7-Anthracenetetracarboxylic Acid: Synthesis, Structures, and Luminescence Properties","Crystal Growth & Design","2009","9","11","4840","","10.1021/cg900659r","","","0.71073","MoKα","","0.0927","0.0715","","","0.1871","0.1988","","","","","","1.095","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509691","28.82","0.03","16.154","0.015","7.899","0.007","90","0.019","90.53","0.02","90","0.04","3677","6","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H64 As6 Cu3 Mo6 N12 O32 -","- C18 H58 As6 Cu3 Mo6 N12 O32 -","- C36 H116 As12 Cu6 Mo12 N24 O64 -","2","0.25","","Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units","Crystal Growth & Design","2009","9","12","5206","","10.1021/cg9006718","","","0.71073","MoKα","","0.1649","0.0796","","","0.1951","0.228","","","","","","0.812","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4509692","22.7883","0.0016","22.7883","0.0016","9.3807","0.0014","90","","90","","120","","4218.8","0.8","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C72 H108 As18 Cu9 Mo18 N48 O96 -","- C72 H96 As18 Cu9 Mo18 N48 O96 -","- C72 H96 As18 Cu9 Mo18 N48 O96 -","1","0.166667","","Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units","Crystal Growth & Design","2009","9","12","5206","","10.1021/cg9006718","","","0.71073","MoKα","","0.0638","0.0383","","","0.0866","0.0928","","","","","","0.96","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4509693","15.2475","0.0011","15.2475","0.0011","15.2475","0.0011","90","","90","","90","","3544.8","0.4","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- As6 H20 Mo6 N2 Na2 Ni O36 -","- As6 Mo6 Na2 Ni O38 -","- As24 Mo24 Na8 Ni4 O152 -","4","0.166667","","Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units","Crystal Growth & Design","2009","9","12","5206","","10.1021/cg9006718","","","0.71073","MoKα","","0.0495","0.0403","","","0.1084","0.1139","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509694","10.7383","0.0017","11.9618","0.0018","18.087","0.003","71.024","0.002","88.929","0.003","67.634","0.002","2017","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H90 As2 Cu Mo12 N10 O70 -","- C12 H18 As2 Cu Mo12 O80 -","- C12 H18 As2 Cu Mo12 O80 -","1","0.5","","Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units","Crystal Growth & Design","2009","9","12","5206","","10.1021/cg9006718","","","0.71073","MoKα","","0.0548","0.0375","","","0.1032","0.1181","","","","","","0.945","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4509695","17.212","0.002","13.6942","0.0018","18.955","0.002","90","","90","","90","","4467.8","0.9","291","2","291","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H24 Cd N6 O5 -","- C16 H24 Cd N6 O5 -","- C128 H192 Cd8 N48 O40 -","8","","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0693","0.0471","","","0.1098","0.1153","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509696","14.323","0.002","11.679","0.003","19.029","0.003","90","","91.131","0.003","90","","3182.5","1.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H84 Cd4 N12 O20 -","- C54 H84 Cd4 N12 O20 -","- C108 H168 Cd8 N24 O40 -","2","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0703","0.0522","","","0.1167","0.1218","","","","","","1.024","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509697","25.404","0.017","17.119","0.011","17.508","0.016","90","","102.505","0.016","90","","7433","10","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 Cd N9 O7 -","- C22 H38 Cd N9 O7 -","- C176 H304 Cd8 N72 O56 -","8","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0632","0.0419","","","0.0809","0.0846","","","","","","1.036","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509698","19.941","0.012","9.571","0.006","13.145","0.008","90","","108.974","0.008","90","","2372","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H124 Cd4 N24 O18 -","- C80 H124 Cd4 N24 O18 -","- C80 H124 Cd4 N24 O18 -","1","0.25","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0762","0.0536","","","0.1023","0.1063","","","","","","1.033","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509699","6.7115","0.0019","12.1","0.004","12.426","0.004","113.727","0.004","93.701","0.005","100.604","0.005","897.2","0.5","291","2","291","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H50 Cd N6 O10 -","- C30 H50 Cd N6 O10 -","- C30 H50 Cd N6 O10 -","1","1","","Liang, Xiao-Qiang; Li, Dong-Ping; Zhou, Xin-Hui; Sui, Yan; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng","Metal−Organic Coordination Polymers Generated from Chiral Camphoric Acid and Flexible Ligands with Different Spacer Lengths: Syntheses, Structures, and Properties","Crystal Growth & Design","2009","9","11","4872","","10.1021/cg900676x","","","0.71073","MoKα","","0.0489","0.0479","","","0.1155","0.1158","","","","","","1.012","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509700","16.9082","0.0005","23.1298","0.0005","17.4876","0.0005","90","","109.975","0.003","90","","6427.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 O5 -","- C41 H36 O5 -","- C328 H288 O40 -","8","2","","Martin, Adam D.; Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Aromatic Solvent Specific Induced Arrays of Calix[5]arenes","Crystal Growth & Design","2009","9","11","4864","","10.1021/cg900682c","","","0.71073","MoKα","","0.1127","0.0406","","","0.0483","0.056","","","","","","1.001","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509701","15.3711","0.0002","14.1732","0.0002","16.7267","0.0002","90","","94.227","0.001","90","","3634.13","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 O5 -","- C47 H42 O5 -","- C188 H168 O20 -","4","1","","Martin, Adam D.; Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Aromatic Solvent Specific Induced Arrays of Calix[5]arenes","Crystal Growth & Design","2009","9","11","4864","","10.1021/cg900682c","","","0.71073","MoKα","","0.0654","0.0462","","","0.1166","0.1295","","","","","","1.002","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509702","33.4127","0.0012","33.4127","","14.6986","0.0003","90","","90","","120","","14211.2","0.6","100","2","100","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C41 H36 O5 -","- C41 H36 O5 -","- C738 H648 O90 -","18","3","","Martin, Adam D.; Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Aromatic Solvent Specific Induced Arrays of Calix[5]arenes","Crystal Growth & Design","2009","9","11","4864","","10.1021/cg900682c","","","0.71073","MoKα","","0.206","0.1618","","","0.3625","0.3983","","","","","","1.002","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509703","7.376","0.003","18.396","0.007","24.237","0.008","90","","90","","90","","3289","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Ag2 N O4 -","- C19 H12 Ag2 N O4 -","- C152 H96 Ag16 N8 O32 -","8","1","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.0431","0.037","","","0.0974","0.1021","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509704","11.562","0.01","18.771","0.015","11.794","0.009","90","","101.39","0.012","90","","2509","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Ag2 N3 O5 -","- C29 H22 Ag2 N3 O5 -","- C116 H88 Ag8 N12 O20 -","4","1","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.0801","0.0681","","","0.1768","0.1895","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509705","29.487","0.003","14.8474","0.0012","7.5179","0.0006","90","","99.635","0.003","90","","3244.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Ag N O4 -","- C19 H13 Ag N O4 -","- C152 H104 Ag8 N8 O32 -","8","1","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.0375","0.0288","","","0.0607","0.067","","","","","","1.009","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509706","8.904","0.003","9.342","0.003","13.43","0.004","73.67","0.02","84.83","0.02","77.49","0.03","1046.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Ag N2 O4 -","- C24 H17 Ag N2 O4 -","- C48 H34 Ag2 N4 O8 -","2","1","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.0608","0.0447","","","0.0976","0.109","","","","","","1.034","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509707","10.589","0.002","11.409","0.003","17.569","0.004","90","","100.172","0.005","90","","2089.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Ag N2 O4 -","- C24 H17 Ag N2 O4 -","- C96 H68 Ag4 N8 O16 -","4","1","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.0456","0.0352","","","0.0827","0.0883","","","","","","1.076","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509708","21.783","0.011","20.047","0.01","14.82","0.008","90","","101.225","0.008","90","","6348","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H66 Ag4 N8 O17 -","- C68 H66 Ag4 N8 O17 -","- C272 H264 Ag16 N32 O68 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.083","0.0555","","","0.1271","0.1429","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509709","14.999","0.006","17.698","0.006","23.385","0.007","90","","114.447","0.019","90","","5651","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Ag4 N10 O16 -","- C54 H40 Ag4 N10 O16 -","- C216 H160 Ag16 N40 O64 -","4","1","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.0759","0.0559","","","0.1497","0.1666","","","","","","1.07","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509710","12.753","0.006","5.138","0.002","8.42","0.004","90","","97.218","0.013","90","","547.3","0.4","100","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Li O2 -","- C7 H4 Li O2 -","- C28 H16 Li4 O8 -","4","1","","Banerjee, Debasis; Borkowski, Lauren A.; Kim, Sun Jin; Parise, John B.","Synthesis and Structural Characterization of Lithium-Based Metal−Organic Frameworks","Crystal Growth & Design","2009","9","11","4922","","10.1021/cg900705c","","","0.41328","synchrotron","","0.1302","0.0788","","","0.177","0.2241","","","","","","0.836","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509711","5.548","0.0011","23.45","0.005","10.32","0.002","90","","96.47","0.03","90","","1334.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Li2 O6 S -","- C14 H8 Li2 O6 S -","- C56 H32 Li8 O24 S4 -","4","1","","Banerjee, Debasis; Borkowski, Lauren A.; Kim, Sun Jin; Parise, John B.","Synthesis and Structural Characterization of Lithium-Based Metal−Organic Frameworks","Crystal Growth & Design","2009","9","11","4922","","10.1021/cg900705c","","","0.71073","MoKα","","0.1392","0.0607","","","0.1257","0.1572","","","","","","0.986","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509712","14.6966","0.0002","23.2019","0.0004","24.7174","0.0004","112.758","0.002","90.418","0.001","104.35","0.001","7479.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 H148 Gd N4 Na O56 P2 S8 -","- C120 H92 Gd N4 Na O56 P2 S8 -","- C240 H184 Gd2 N8 Na2 O112 P4 S16 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Constructing Multicomponent Materials Containing Cavitands, and Phosphonium and Imidazolium Cations","Crystal Growth & Design","2009","9","10","4497","","10.1021/cg900710c","","","0.71073","MoKα","","0.1926","0.15","","","0.3651","0.3943","","","","","","1.069","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509713","14.8754","0.0002","42.7788","0.0009","17.769","0.0002","90","","97.073","0.001","90","","11221.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C344 H439 Cl Gd0.67 N8 O138 P8 S16 -","- C344 H292 Cl Gd0.66 N8 O137.96 P8 S16 -","- C344 H292 Cl Gd0.66 N8 O137.96 P8 S16 -","1","0.25","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Constructing Multicomponent Materials Containing Cavitands, and Phosphonium and Imidazolium Cations","Crystal Growth & Design","2009","9","10","4497","","10.1021/cg900710c","","","1.54178","CuKα","","0.2164","0.1415","","","0.3404","0.3682","","","","","","1.138","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509714","14.3665","0.0004","19.1493","0.0006","29.3847","0.0009","85.046","0.002","76.231","0.002","86.048","0.002","7812.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C278 H324 Gd0.67 N12 O96 P4 S16 -","- C278 H248 Gd0.66 N12 O95.92 P4 S16 -","- C278 H248 Gd0.66 N12 O95.92 P4 S16 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Constructing Multicomponent Materials Containing Cavitands, and Phosphonium and Imidazolium Cations","Crystal Growth & Design","2009","9","10","4497","","10.1021/cg900710c","","","1.54178","CuKα","","0.3004","0.185","","","0.3885","0.4333","","","","","","1.001","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509715","14.326","0.0001","22.7655","0.0002","28.1062","0.0003","112.813","0.001","91.721","0.001","97.864","0.001","8335.29","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H162 Gd N4 O62 P3 S8 -","- C150 H124 Gd N4 O62 P3 S8 -","- C300 H248 Gd2 N8 O124 P6 S16 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Constructing Multicomponent Materials Containing Cavitands, and Phosphonium and Imidazolium Cations","Crystal Growth & Design","2009","9","10","4497","","10.1021/cg900710c","","","0.71073","MoKα","","0.1612","0.1236","","","0.327","0.3517","","","","","","1.005","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509716","19.8378","0.0015","11.0364","0.0008","18.3362","0.0014","90","","91.229","0.001","90","","4013.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N6 O8 Zn2 -","- C17 H15 N6 O8 Zn2 -","- C136 H120 N48 O64 Zn16 -","8","1","","Yang, En-Cui; Chan, Ya-Nan; Liu, Hui; Wang, Zhi-Chao; Zhao, Xiao-Jun","Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by Synergistic Coordination of Nucleobases and Polycarboxylate Anions: Binding Behavior, Self-Assembled Pattern of the Nucleobase, and Luminscent Properties","Crystal Growth & Design","2009","9","11","4933","","10.1021/cg9007119","","","0.71073","MoKα","","0.0358","0.0313","","","0.0777","0.0805","","","","","","1.045","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509717","7.3203","0.0004","19.1072","0.001","15.7652","0.0008","90","","101.787","0.001","90","","2158.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N6 O8 Zn2 -","- C21 H14 N6 O8 Zn2 -","- C84 H56 N24 O32 Zn8 -","4","1","","Yang, En-Cui; Chan, Ya-Nan; Liu, Hui; Wang, Zhi-Chao; Zhao, Xiao-Jun","Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by Synergistic Coordination of Nucleobases and Polycarboxylate Anions: Binding Behavior, Self-Assembled Pattern of the Nucleobase, and Luminscent Properties","Crystal Growth & Design","2009","9","11","4933","","10.1021/cg9007119","","","0.71073","MoKα","","0.0254","0.0234","","","0.0618","0.063","","","","","","1.037","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509718","9.0571","0.0009","16.808","0.0016","10.9333","0.001","90","","98.991","0.001","90","","1643.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N6 O8 Zn2 -","- C14 H12 N6 O8 Zn2 -","- C56 H48 N24 O32 Zn8 -","4","1","","Yang, En-Cui; Chan, Ya-Nan; Liu, Hui; Wang, Zhi-Chao; Zhao, Xiao-Jun","Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by Synergistic Coordination of Nucleobases and Polycarboxylate Anions: Binding Behavior, Self-Assembled Pattern of the Nucleobase, and Luminscent Properties","Crystal Growth & Design","2009","9","11","4933","","10.1021/cg9007119","","","0.71073","MoKα","","0.0256","0.0226","","","0.0603","0.062","","","","","","1.041","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509719","9.9718","0.0006","10.0083","0.0006","10.4759","0.0006","81.993","0.001","69.097","0.001","70.492","0.001","920.39","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N6 O10 Zn -","- C14 H18 N6 O10 Zn -","- C28 H36 N12 O20 Zn2 -","2","1","","Yang, En-Cui; Chan, Ya-Nan; Liu, Hui; Wang, Zhi-Chao; Zhao, Xiao-Jun","Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by Synergistic Coordination of Nucleobases and Polycarboxylate Anions: Binding Behavior, Self-Assembled Pattern of the Nucleobase, and Luminscent Properties","Crystal Growth & Design","2009","9","11","4933","","10.1021/cg9007119","","","0.71073","MoKα","","0.0299","0.0274","","","0.0732","0.0746","","","","","","1.037","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509720","9.4679","0.0006","11.8326","0.0007","14.2259","0.0009","90","","90.711","0.001","90","","1593.6","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cd1.5 N6 O5.5 -","- C11 H16 Cd1.5 N6 O5.5 -","- C44 H64 Cd6 N24 O22 -","4","1","","Yang, En-Cui; Chan, Ya-Nan; Liu, Hui; Wang, Zhi-Chao; Zhao, Xiao-Jun","Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by Synergistic Coordination of Nucleobases and Polycarboxylate Anions: Binding Behavior, Self-Assembled Pattern of the Nucleobase, and Luminscent Properties","Crystal Growth & Design","2009","9","11","4933","","10.1021/cg9007119","","","0.71073","MoKα","","0.0176","0.0169","","","0.0446","0.0451","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509721","11.0461","0.0003","24.5548","0.0006","7.8992","0.0002","90","","106.97","","90","","2049.25","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cd N6 O9 -","- C17 H17 Cd N6 O9 -","- C68 H68 Cd4 N24 O36 -","4","1","","Yang, En-Cui; Chan, Ya-Nan; Liu, Hui; Wang, Zhi-Chao; Zhao, Xiao-Jun","Unusual Polymeric ZnII/CdIIComplexes with 2,6-Diaminopurine by Synergistic Coordination of Nucleobases and Polycarboxylate Anions: Binding Behavior, Self-Assembled Pattern of the Nucleobase, and Luminscent Properties","Crystal Growth & Design","2009","9","11","4933","","10.1021/cg9007119","","","0.71073","MoKα","","0.024","0.0217","","","0.0553","0.0567","","","","","","1.054","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509722","35.0242","0.0016","35.0242","0.0016","35.0242","0.0016","90","","90","","90","","42964","3","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48.5 H72 Cl2 N12 O6 -","- C48.5 H72 Cl2 N12 O6 -","- C1552 H2304 Cl64 N384 O192 -","32","0.166667","","Li, Yitao; Li, Lin; Zhu, Yanping; Meng, Xianggao; Wu, Anxin","Solvent Effect on Pseudopolymorphism of Hemicyclohexylcucurbit[6]uril","Crystal Growth & Design","2009","9","10","4255","","10.1021/cg9007262","","","0.71073","MoKα","","0.1191","0.0856","","","0.243","0.2639","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509723","34.9968","0.0013","34.9968","0.0013","34.9968","0.0013","90","","90","","90","","42863","3","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C129.33 H192 Cl4 N32 O16 -","- C129.333 H192 Cl4 N32 O16 -","- C1552 H2304 Cl48 N384 O192 -","12","0.0625","","Li, Yitao; Li, Lin; Zhu, Yanping; Meng, Xianggao; Wu, Anxin","Solvent Effect on Pseudopolymorphism of Hemicyclohexylcucurbit[6]uril","Crystal Growth & Design","2009","9","10","4255","","10.1021/cg9007262","","","0.71073","MoKα","","0.098","0.0697","","","0.1997","0.2174","","","","","","1.096","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509724","12.6429","0.0015","13.0515","0.0016","13.7972","0.0016","63.541","0.002","73.029","0.002","76.461","0.002","1935","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H78 Cl18 N12 O6 -","- C54 H78 Cl18 N12 O6 -","- C54 H78 Cl18 N12 O6 -","1","0.5","","Li, Yitao; Li, Lin; Zhu, Yanping; Meng, Xianggao; Wu, Anxin","Solvent Effect on Pseudopolymorphism of Hemicyclohexylcucurbit[6]uril","Crystal Growth & Design","2009","9","10","4255","","10.1021/cg9007262","","","0.71073","MoKα","","0.1694","0.0752","","","0.1938","0.2379","","","","","","0.891","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509725","12.1897","0.0013","12.5162","0.0019","12.5295","0.0014","115.859","0.003","92.622","0.002","118.776","0.002","1426.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H76 Cl4 N12 O6 -","- C50 H76 Cl4 N12 O6 -","- C50 H76 Cl4 N12 O6 -","1","0.5","","Li, Yitao; Li, Lin; Zhu, Yanping; Meng, Xianggao; Wu, Anxin","Solvent Effect on Pseudopolymorphism of Hemicyclohexylcucurbit[6]uril","Crystal Growth & Design","2009","9","10","4255","","10.1021/cg9007262","","","0.71073","MoKα","","0.1002","0.075","","","0.2212","0.2412","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509726","13.179","0.001","13.178","0.001","20.568","0.001","90","","90","","90","","3572.1","0.4","90","2","90","2","","","","","","","","6","I m m 2","I 2 -2","44","","","","- C40 H54 Cl Cu4 N19 O14 -","- C32 H16 Cl Cu4 N16 O12 -","- C64 H32 Cl2 Cu8 N32 O24 -","2","0.25","","Ouellette, Wayne; Liu, Hongxue; Whitenack, Kelly; O’Connor, Charles J.; Zubieta, Jon","A Three-Dimensional Porous and Magnetic Framework Constructed from {Cu4(μ4-Cl)}+7Clusters and 4-(1H-Tetrazol-5yl)-benzoic Acid, (Me2NH2)[Cu4Cl(tba)4(H2O)4]·2DMF","Crystal Growth & Design","2009","9","10","4258","","10.1021/cg900734d","","x-ray","0.71073","MoKα","","0.0609","0.0521","","","0.1315","0.1364","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509727","12.975","0.002","13.06","0.002","22.382","0.004","95.776","0.002","92.004","0.003","112.678","0.002","3470.5","1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.5 H61.95 N4 O14.75 Zn2 -","- C64.5 H61.95 N4 O14.75 Zn2 -","- C129 H123.9 N8 O29.5 Zn4 -","2","1","","Nelson, Andrew P.; Parrish, Damon A.; Cambrea, Lee R.; Baldwin, Lawrence C.; Trivedi, Nirupam J.; Mulfort, Karen L.; Farha, Omar K.; Hupp, Joseph T.","Crystal to Crystal Guest Exchange in a Mixed Ligand Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4588","","10.1021/cg900735n","","","0.71073","MoKα","","0.0756","0.0593","","","0.1844","0.1979","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509728","13.063","0.002","22.324","0.004","13.129","0.002","90","","95.149","0.003","90","","3813.2","1.1","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75.78 H46.31 N7.46 O20.92 Zn2 -","- C75.748 H46.32 N7.458 O20.916 Zn2 -","- C151.496 H92.64 N14.916 O41.832 Zn4 -","2","1","","Nelson, Andrew P.; Parrish, Damon A.; Cambrea, Lee R.; Baldwin, Lawrence C.; Trivedi, Nirupam J.; Mulfort, Karen L.; Farha, Omar K.; Hupp, Joseph T.","Crystal to Crystal Guest Exchange in a Mixed Ligand Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4588","","10.1021/cg900735n","","","0.71073","MoKα","","0.0804","0.0749","","","0.213","0.2185","","","","","","1.038","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509729","12.972","0.004","22.296","0.007","12.988","0.004","90","","109.376","0.005","90","","3543.7","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.25 H25.25 Cl3.75 N4 O12 Zn2 -","- C49.25 H25.25 Cl3.75 N4 O12 Zn2 -","- C98.5 H50.5 Cl7.5 N8 O24 Zn4 -","2","1","","Nelson, Andrew P.; Parrish, Damon A.; Cambrea, Lee R.; Baldwin, Lawrence C.; Trivedi, Nirupam J.; Mulfort, Karen L.; Farha, Omar K.; Hupp, Joseph T.","Crystal to Crystal Guest Exchange in a Mixed Ligand Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4588","","10.1021/cg900735n","","","0.71073","MoKα","","0.1811","0.156","","","0.3933","0.4102","","","","","","1.611","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509730","8.5912","0.0017","19.151","0.004","11.197","0.002","90","","107.09","0.03","90","","1760.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis[cadmium di(formate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)","bis[cadmium di(formate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)","","- C26 H36 Cd2 N6 O14 -","- C26 H36 Cd2 N6 O14 -","- C52 H72 Cd4 N12 O28 -","2","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S.","Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands","Crystal Growth & Design","2009","9","12","5233","","10.1021/cg900746w","","","0.71073","MoKα","","0.0602","0.0419","","","0.1072","0.1141","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4509731","20.7394","0.0014","11.1708","0.0008","8.4956","0.0006","90","","110.834","0.004","90","","1839.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","bis[zinc di(acetate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)","bis[zinc di(acetate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)","","- C30 H44 N6 O14 Zn2 -","- C30 H44 N6 O14 Zn2 -","- C60 H88 N12 O28 Zn4 -","2","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S.","Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands","Crystal Growth & Design","2009","9","12","5233","","10.1021/cg900746w","","","0.71073","MoKα","","0.0527","0.0432","","","0.1264","0.1351","","","","","","0.994","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509732","21.723","0.004","11.121","0.002","8.5449","0.0017","90","","112.03","0.03","90","","1913.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","bis[cadmium di(acetate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)","bis[cadmium di(acetate)(1,2-cyclohexanedionedioxime)(aqua)] (mu2-4,4'-bipyridine)","","- C30 H44 Cd2 N6 O14 -","- C30 H44 Cd2 N6 O14 -","- C60 H88 Cd4 N12 O28 -","2","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S.","Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands","Crystal Growth & Design","2009","9","12","5233","","10.1021/cg900746w","","","0.71073","MoKα","","0.0577","0.0401","","","0.0921","0.0988","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4509733","10.144","0.002","11.814","0.002","12.423","0.003","108.23","0.03","93.23","0.03","90.65","0.03","1411.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena[(cadmium)(mu2-sulfato)(1,2-cyclohexanediodioxime) (4,4'-bipyridine)]1,2-cyclohexanediodioxime trihydrate","catena[(cadmium)(mu2-sulfato)(1,2-cyclohexanediodioxime) (4,4'-bipyridine)]1,2-cyclohexanediodioxime trihydrate","","- C22 H34 Cd N6 O11 S -","- C22 H34 Cd N6 O11 S -","- C44 H68 Cd2 N12 O22 S2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S.","Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands","Crystal Growth & Design","2009","9","12","5233","","10.1021/cg900746w","","","0.71073","MoKα","","0.0809","0.07","","","0.1948","0.2096","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4509734","11.6597","0.0009","11.6597","0.0009","20.813","0.002","90","","90","","120","","2450.4","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","catena[(cadmium sulfate 4,4'-bipyridine)hydrate]","catena[(cadmium sulfate 4,4'-bipyridine)hydrate]","","- C10 H18 Cd N2 O9 S -","- C10 H8 Cd N2 O9 S -","- C60 H48 Cd6 N12 O54 S6 -","6","1","","Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S.","Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands","Crystal Growth & Design","2009","9","12","5233","","10.1021/cg900746w","","","0.71073","MoKα","","0.0685","0.0665","","","0.184","0.1852","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4509735","23.612","0.002","15.0618","0.0012","17.8456","0.0015","90","","128.492","0.002","90","","4967.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N2 O8 -","- C27 H22 N2 O7 -","- C216 H176 N16 O56 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1592","0.0637","","","0.1302","0.1565","","","","","","0.942","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509736","19.1296","0.0007","7.7639","0.0003","15.7687","0.0006","90","","98.138","0.001","90","","2318.39","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 N4 O14 -","- C54 H44 N4 O14 -","- C108 H88 N8 O28 -","2","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.0964","0.0504","","","0.1396","0.169","","","","","","1.022","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509737","10.0728","0.0008","18.7475","0.0014","15.757","0.0012","90","","107.321","0.002","90","","2840.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H54 N4 O14 -","- C70 H54 N4 O14 -","- C140 H108 N8 O28 -","2","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1344","0.059","","","0.117","0.1372","","","","","","0.937","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509738","10.118","0.0006","12.2782","0.0008","15.1268","0.001","74.305","0.002","73.489","0.002","88.505","0.002","1731.92","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H64 N4 O26 -","- C82 H64 N4 O26 -","- C82 H64 N4 O26 -","1","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1192","0.0585","","","0.1569","0.1789","","","","","","1.023","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509739","6.8098","0.001","14.235","0.002","17.338","0.002","104.773","0.004","91.947","0.004","92.244","0.004","1622.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C78 H64 N4 O14 -","2","1","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.0961","0.0763","","","0.2248","0.2323","","","","","","1.601","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509740","14.198","0.003","6.8688","0.0017","17.257","0.004","90","","104.89","0.007","90","","1626.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C37 H32 N2 O7 -","- C27 H16 N2 O7 -","- C54 H32 N4 O14 -","2","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1185","0.0738","","","0.1957","0.2114","","","","","","1.121","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509741","14.183","0.005","6.875","0.003","17.212","0.006","90","","104.955","0.01","90","","1621.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C37 H32 N2 O7 -","- C27 H16 N2 O7 -","- C54 H32 N4 O14 -","2","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1296","0.0766","","","0.1854","0.2118","","","","","","0.962","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509742","9.6986","0.0007","14.6317","0.0011","14.7229","0.0011","61.082","0.002","73.527","0.002","84.036","0.002","1752.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H34 N2 O7 -","- C45 H34 N2 O7 -","- C90 H68 N4 O14 -","2","1","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.0861","0.0481","","","0.1199","0.1349","","","","","","0.969","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509743","22.4878","0.0016","24.9242","0.0018","14.378","0.001","90","","122.438","0.002","90","","6801.3","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H66 N4 O16 -","- C84 H52 N4 O16 -","- C336 H208 N16 O64 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1293","0.0662","","","0.174","0.2137","","","","","","0.744","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509744","22.4015","0.0013","24.8681","0.0014","14.4804","0.0008","90","","122.68","0.002","90","","6789.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H66 N4 O18 -","- C82 H62 N4 O18 -","- C328 H248 N16 O72 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1335","0.0638","","","0.166","0.1965","","","","","","0.937","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509745","14.1531","0.0015","16.3725","0.0017","17.312","0.003","110.186","0.004","105.113","0.004","106.318","0.003","3316.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H69 N4 O17 -","- C76 H66 N4 O17 -","- C152 H132 N8 O34 -","2","1","","Santra, Ramkinkar; Biradha, Kumar","Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials","Crystal Growth & Design","2009","9","11","4969","","10.1021/cg900759e","","","0.71073","MoKα","","0.1361","0.0609","","","0.1699","0.2031","","","","","","0.994","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509746","15.782","0.002","15.782","0.002","13.624","0.003","90","","90","","90","","3393.4","1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C10 H10 Cu3 I3 N2 S2 -","- C10 H10 Cu3 I3 N2 S2 -","- C80 H80 Cu24 I24 N16 S16 -","8","0.5","","Chen, Yang; Wang, Zi-Ou; Ren, Zhi-Gang; Li, Hong-Xi; Li, Duan-Xiu; Liu, Dong; Zhang, Yong; Lang, Jian-Ping","Solvothermal Stepwise Formation of Cu/I/S-Based Semiconductors from a Three-Dimensional Net to One-Dimensional Chains","Crystal Growth & Design","2009","9","11","4963","","10.1021/cg9007608","","","0.71073","MoKα","","0.041","0.0369","","","0.0759","0.0782","","","","","","1.072","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509747","30.764","0.006","16.095","0.003","10.559","0.002","90","","90","","90","","5228.3","1.7","223","2","223","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C15 H15 Cu2 I2 N3 S3 -","- C15 H15 Cu2 I2 N3 S3 -","- C120 H120 Cu16 I16 N24 S24 -","8","0.5","","Chen, Yang; Wang, Zi-Ou; Ren, Zhi-Gang; Li, Hong-Xi; Li, Duan-Xiu; Liu, Dong; Zhang, Yong; Lang, Jian-Ping","Solvothermal Stepwise Formation of Cu/I/S-Based Semiconductors from a Three-Dimensional Net to One-Dimensional Chains","Crystal Growth & Design","2009","9","11","4963","","10.1021/cg9007608","","","0.71073","MoKα","","0.1044","0.0971","","","0.3097","0.3192","","","","","","1.19","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509748","10.005","0.002","19.344","0.004","25.704","0.005","90","","90","","90","","4974.7","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C35 H35 Cu5 I5 N7 S7 -","- C35 H35 Cu5 I5 N7 S7 -","- C140 H140 Cu20 I20 N28 S28 -","4","0.5","","Chen, Yang; Wang, Zi-Ou; Ren, Zhi-Gang; Li, Hong-Xi; Li, Duan-Xiu; Liu, Dong; Zhang, Yong; Lang, Jian-Ping","Solvothermal Stepwise Formation of Cu/I/S-Based Semiconductors from a Three-Dimensional Net to One-Dimensional Chains","Crystal Growth & Design","2009","9","11","4963","","10.1021/cg9007608","","","0.71073","MoKα","","0.0526","0.0452","","","0.0918","0.0952","","","","","","1.046","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509749","9.7268","0.0019","11.548","0.002","16.675","0.003","73.87","0.03","76.66","0.03","66","0.03","1628.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H32 Cd N4 O5 -","- C37 H32 Cd N4 O5 -","- C74 H64 Cd2 N8 O10 -","2","1","","Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang","Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","12","5244","","10.1021/cg9007747","","","0.71073","MoKα","","0.0408","0.0361","","","0.0838","0.0874","","","","","","1.009","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509750","11.752","0.006","13.457","0.007","17.688","0.013","108.218","0.008","103.065","0.008","102.821","0.006","2455","3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H48 Cd Fe2 N4 O7 -","- C53 H48 Cd Fe2 N4 O7 -","- C106 H96 Cd2 Fe4 N8 O14 -","2","1","","Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang","Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","12","5244","","10.1021/cg9007747","","","0.71073","MoKα","","0.1236","0.1096","","","0.3154","0.3228","","","","","","1.098","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509751","12.317","0.003","14.72","0.003","16.784","0.003","90","","105.89","0.03","90","","2926.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cd1.5 N4 O14 S -","- C21 H29 Cd1.5 N4 O14 S -","- C84 H116 Cd6 N16 O56 S4 -","4","1","","Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang","Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","12","5244","","10.1021/cg9007747","","","0.71073","MoKα","","0.037","0.0329","","","0.105","0.1091","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509752","11.4378","0.0014","13.3601","0.0016","17.59","0.003","106.335","0.002","106.094","0.002","102.073","0.002","2355.1","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H48 Fe2 N4 O7 Zn -","- C53 H48 Fe2 N4 O7 Zn -","- C106 H96 Fe4 N8 O14 Zn2 -","2","1","","Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang","Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","12","5244","","10.1021/cg9007747","","","0.71073","MoKα","","0.0769","0.0479","","","0.1094","0.1251","","","","","","1.029","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509753","14.51","0.003","18.438","0.004","18.273","0.004","90","","113.02","0.03","90","","4499.4","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 Cd2 N5 O11 -","- C47 H41 Cd2 N5 O11 -","- C188 H164 Cd8 N20 O44 -","4","1","","Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang","Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","12","5244","","10.1021/cg9007747","","","0.71073","MoKα","","0.046","0.0423","","","0.112","0.1152","","","","","","1.011","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509754","9.4165","0.0019","11.557","0.002","12.647","0.003","112.89","0.03","106.86","0.03","90.3","0.03","1202.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cd N4 O8 -","- C28 H28 Cd N4 O8 -","- C56 H56 Cd2 N8 O16 -","2","1","","Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang","Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties","Crystal Growth & Design","2009","9","12","5244","","10.1021/cg9007747","","","0.71073","MoKα","","0.0352","0.0329","","","0.1176","0.1198","","","","","","1.051","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509755","11.334","0.001","16.927","0.002","13.73","0.001","90","","111.26","0.01","90","","2454.8","0.4","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","2","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","0.71073","MoKα","","0.1093","0.056","","","0.1349","0.1617","","","","","","1.007","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509756","13.8393","0.0003","15.132","0.0003","18.708","0.0004","86.603","0.001","82.027","0.001","89.849","0.001","3873.01","0.14","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C168 H168 N24 O24 -","12","6","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","1.54178","CuKα","","0.0807","0.0579","","","0.1398","0.1647","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509757","4.933","0.001","21.146","0.004","10.378","0.002","90","","97.1","0.01","90","","1074.3","0.4","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","0.71073","MoKα","","0.0681","0.0467","","","0.1251","0.1414","","","","","","1.064","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509758","10.7673","0.001","11.7146","0.0011","14.4532","0.0013","110.271","0.001","94.099","0.002","94.996","0.001","1693.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Co N4 O12 -","- C35 H34 Co N4 O12 -","- C70 H68 Co2 N8 O24 -","2","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Zhang, Li-Fang; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Co(II) Metal−Organic Frameworks (MOFs) Assembled from Asymmetric Semirigid Multicarboxylate Ligands: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","12","5273","","10.1021/cg900788h","","","0.71073","MoKα","","0.04","0.0327","","","0.097","0.1015","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509759","11.4757","0.0011","11.5865","0.0012","11.9419","0.0012","86.534","0.002","76.535","0.002","69.576","0.002","1446.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 Co1.5 N4 O7 -","- C35 H23 Co1.5 N4 O7 -","- C70 H46 Co3 N8 O14 -","2","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Zhang, Li-Fang; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Co(II) Metal−Organic Frameworks (MOFs) Assembled from Asymmetric Semirigid Multicarboxylate Ligands: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","12","5273","","10.1021/cg900788h","","","0.71073","MoKα","","0.053","0.0365","","","0.1001","0.1173","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509760","10.751","0.0006","12.8281","0.0007","19.623","0.0014","105.997","0.001","94.872","0.001","107.69","0.001","2436.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 Co3 N4 O19.5 -","- C50 H41 Co3 N4 O19.5 -","- C100 H82 Co6 N8 O39 -","2","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Zhang, Li-Fang; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Co(II) Metal−Organic Frameworks (MOFs) Assembled from Asymmetric Semirigid Multicarboxylate Ligands: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","12","5273","","10.1021/cg900788h","","","0.71073","MoKα","","0.0538","0.0465","","","0.1374","0.1425","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509761","9.3521","0.0009","11.3471","0.0012","18.8078","0.0018","79.46","0.002","79.462","0.002","66.512","0.002","1786.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 Co1.5 N4 O13 -","- C35 H35 Co1.5 N4 O13 -","- C70 H70 Co3 N8 O26 -","2","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Zhang, Li-Fang; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Co(II) Metal−Organic Frameworks (MOFs) Assembled from Asymmetric Semirigid Multicarboxylate Ligands: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2009","9","12","5273","","10.1021/cg900788h","","","0.71073","MoKα","","0.0829","0.0487","","","0.1117","0.1234","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509762","5.4584","0.0003","12.8761","0.0008","21.8161","0.0013","90","","90","","90","","1533.3","0.16","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one maleate","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C48 H60 N12 O28 S4 -","4","1","","Martins, Felipe T.; Paparidis, Nikolas; Doriguetto, Antônio C.; Ellena, Javier","Crystal Engineering of an Anti-HIV Drug Based on the Recognition of Assembling Molecular Frameworks","Crystal Growth & Design","2009","9","12","5283","","10.1021/cg900790f","","x-ray","0.71073","MoKα","","0.1094","0.0473","","","0.0839","0.1378","","","","","","0.993","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509763","5.413","0.0001","12.787","0.0004","21.6501","0.0007","90","","90","","90","","1498.53","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one maleate","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C48 H60 N12 O28 S4 -","4","1","","Martins, Felipe T.; Paparidis, Nikolas; Doriguetto, Antônio C.; Ellena, Javier","Crystal Engineering of an Anti-HIV Drug Based on the Recognition of Assembling Molecular Frameworks","Crystal Growth & Design","2009","9","12","5283","","10.1021/cg900790f","","x-ray","0.71073","MoKα","","0.0534","0.0443","","","0.1101","0.1153","","","","","","1.095","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509764","10.983","0.005","10.983","0.005","9.702","0.006","90","","90","","90","","1170.3","1","293","2","293","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C22 H20 N2 O8 Zn2 -","- C21.92 H8 N2 O8 Zn2 -","- C21.92 H8 N2 O8 Zn2 -","1","0.0625","","Chen, Zhenxia; Xiang, Shengchang; Zhao, Dongyuan; Chen, Banglin","Reversible Two-Dimensional−Three Dimensional Framework Transformation within a Prototype Metal−Organic Framework","Crystal Growth & Design","2009","9","12","5293","","10.1021/cg900797y","","","0.71073","MoKα","","0.0672","0.0628","","","0.2266","0.2306","","","","","","0.957","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509765","6.723","0.003","15.481","0.006","12.435","0.005","90","","102.825","0.005","90","","1261.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O6 Zn -","- C11 H13 N O6 Zn -","- C44 H52 N4 O24 Zn4 -","4","1","","Chen, Zhenxia; Xiang, Shengchang; Zhao, Dongyuan; Chen, Banglin","Reversible Two-Dimensional−Three Dimensional Framework Transformation within a Prototype Metal−Organic Framework","Crystal Growth & Design","2009","9","12","5293","","10.1021/cg900797y","","","0.71073","MoKα","","0.0471","0.0339","","","0.0698","0.0735","","","","","","0.951","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509766","12.3167","0.0005","13.0801","0.0005","14.3631","0.0006","90.699","0.002","92.572","0.002","93.545","0.002","2306.93","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46.41 N12 O17.21 S4 -","- C32 H46.416 N12 O17.208 S4 -","- C64 H92.832 N24 O34.416 S8 -","2","1","","Liu, Yuzhou; Ward, Michael D.","Molecular Capsules in Modular Frameworks","Crystal Growth & Design","2009","9","9","3859","","10.1021/cg9008009","","","0.71073","MoKα","","0.0558","0.0523","","","0.1366","0.1385","","","","","","1.186","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509767","12.4998","0.0007","12.9588","0.0007","14.1936","0.0008","93.765","0.003","91.628","0.003","93.254","0.003","2289.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 N12 O16 S4 -","- C32 H44 N12 O16 S4 -","- C64 H88 N24 O32 S8 -","2","1","","Liu, Yuzhou; Ward, Michael D.","Molecular Capsules in Modular Frameworks","Crystal Growth & Design","2009","9","9","3859","","10.1021/cg9008009","","","0.71073","MoKα","","0.0542","0.0406","","","0.1113","0.1214","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509768","12.821","0.002","24.344","0.004","13.9498","0.0019","90","","90.829","0.011","90","","4353.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N12 O16 S8 -","- C28 H36 N12 O16 S8 -","- C112 H144 N48 O64 S32 -","4","1","","Liu, Yuzhou; Ward, Michael D.","Molecular Capsules in Modular Frameworks","Crystal Growth & Design","2009","9","9","3859","","10.1021/cg9008009","","","0.71073","MoKα","","0.1408","0.0519","","","0.0978","0.126","","","","","","0.895","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509769","12.669","0.002","14.264","0.003","15.6","0.003","103.371","0.007","90.607","0.007","108.628","0.007","2588.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H52 Cl6 N12 O17 S4 -","- C35 H52 Cl6 N12 O17 S4 -","- C70 H104 Cl12 N24 O34 S8 -","2","1","","Liu, Yuzhou; Ward, Michael D.","Molecular Capsules in Modular Frameworks","Crystal Growth & Design","2009","9","9","3859","","10.1021/cg9008009","","","0.71073","MoKα","","0.0329","0.0309","","","0.0833","0.0849","","","","","","1.019","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509770","12.6415","0.0007","28.2956","0.0015","13.6403","0.0007","90","","97.296","0.003","90","","4839.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Cl3 N12 O19 S4 -","- C33 H51 Cl3.018 N12 O19 S4 -","- C132 H204 Cl12.072 N48 O76 S16 -","4","1","","Liu, Yuzhou; Ward, Michael D.","Molecular Capsules in Modular Frameworks","Crystal Growth & Design","2009","9","9","3859","","10.1021/cg9008009","","","0.71073","MoKα","","0.0726","0.0621","","","0.1744","0.1802","","","","","","1.196","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509771","12.8498","0.0005","13.3198","0.0005","17.2996","0.0007","82.762","0.001","82.39","0.001","84.626","0.001","2902.5","0.2","187","2","187","2","","","","","","","","6","P -1","-P 1","2","[Cu(C12H8N2)(C3N2H4)2]2 [Cu(C12H8N2)(C3N2H4)(H2O)2]2 [C42H28S6O24] [H2O]13.25","","","- C108 H118.5 Cu4 N20 O41.25 S6 -","- C108 H112 Cu4 N20 O41.244 S6 -","- C108 H112 Cu4 N20 O41.244 S6 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Xiaofei; Zhang, Hongjie","Assembly of Seven Supramolecular Compounds withp-Sulfonatocalix[6]arene","Crystal Growth & Design","2009","9","12","5311","","10.1021/cg900814b","","","0.71073","MoKα","","0.0558","0.0409","","","0.1027","0.1081","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509772","13.3935","0.0005","14.9472","0.0005","15.8144","0.0006","67.904","0.001","69.399","0.001","66.59","0.001","2614.59","0.17","186","2","186","2","","","","","","","","6","P -1","-P 1","2","[Cu(C12H8N2)(C3N2H4)(H2O)]4 [C42H28S6O24] [H2O]10","","","- C102 H104 Cu4 N16 O38 S6 -","- C102 H100 Cu4 N16 O38 S6 -","- C102 H100 Cu4 N16 O38 S6 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Xiaofei; Zhang, Hongjie","Assembly of Seven Supramolecular Compounds withp-Sulfonatocalix[6]arene","Crystal Growth & Design","2009","9","12","5311","","10.1021/cg900814b","","","0.71073","MoKα","","0.059","0.0428","","","0.1107","0.1217","","","","","","1.066","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509773","12.1579","0.0004","15.4571","0.0005","20.2944","0.0007","99.64","0.001","94.916","0.001","90.071","0.001","3745.7","0.2","186","2","186","2","","","","","","","","6","P -1","-P 1","2","[Zn(C12H8N2)2]2 [Zn(C12H8N2)2(H2O)]2 [C42H28S6O24] [H2O]29.87","","","- C138 H169.74 N16 O55.87 S6 Zn4 -","- C138 H96 N16 O55.876 S6 Zn4 -","- C138 H96 N16 O55.876 S6 Zn4 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Xiaofei; Zhang, Hongjie","Assembly of Seven Supramolecular Compounds withp-Sulfonatocalix[6]arene","Crystal Growth & Design","2009","9","12","5311","","10.1021/cg900814b","","","0.71073","MoKα","","0.0794","0.0594","","","0.1746","0.1912","","","","","","1.088","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509774","12.1344","0.0005","15.4172","0.0006","20.3397","0.0007","80.495","0.001","85.236","0.001","89.904","0.001","3739.6","0.2","187","2","187","2","","","","","","","","6","P -1","-P 1","2","[Co(C12H8N2)2]2 [Co(C12H8N2)2(H2O)]2 [C42H28S6O24] [H2O]29.53","","","- C138 H169.06 Co4 N16 O55.53 S6 -","- C138 H96 Co4 N16 O55.54 S6 -","- C138 H96 Co4 N16 O55.54 S6 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Xiaofei; Zhang, Hongjie","Assembly of Seven Supramolecular Compounds withp-Sulfonatocalix[6]arene","Crystal Growth & Design","2009","9","12","5311","","10.1021/cg900814b","","","0.71073","MoKα","","0.0825","0.0615","","","0.1726","0.1863","","","","","","1.078","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509775","9.85","0.002","10.05","0.003","11.128","0.005","98.413","0.003","102.766","0.003","118.571","0.002","901.8","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cd N O6 -","- C17 H20 Cd N O6 -","- C34 H40 Cd2 N2 O12 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Yang, Guo-Ping","Syntheses, Structures, and Photoluminescence of a Series of d10Coordination Polymers with R-Isophthalate (R = −OH, −CH3, and −C(CH3)3)","Crystal Growth & Design","2009","9","12","5334","","10.1021/cg900825y","","","0.71073","MoKα","","0.0243","0.0226","","","0.0553","0.0564","","","","","","1.056","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509776","11.1944","0.0009","11.3719","0.0009","16.159","0.0013","90","","102.143","0.001","90","","2011","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cd N2 O4 -","- C22 H20 Cd N2 O4 -","- C88 H80 Cd4 N8 O16 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Yang, Guo-Ping","Syntheses, Structures, and Photoluminescence of a Series of d10Coordination Polymers with R-Isophthalate (R = −OH, −CH3, and −C(CH3)3)","Crystal Growth & Design","2009","9","12","5334","","10.1021/cg900825y","","","0.71073","MoKα","","0.0241","0.0214","","","0.0609","0.063","","","","","","1.091","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509777","9.5977","0.0007","17.4936","0.0013","21.206","0.0015","90","","101.787","0.001","90","","3485.4","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N2 O9 Zn2 -","- C36 H38 N2 O9 Zn2 -","- C144 H152 N8 O36 Zn8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Yang, Guo-Ping","Syntheses, Structures, and Photoluminescence of a Series of d10Coordination Polymers with R-Isophthalate (R = −OH, −CH3, and −C(CH3)3)","Crystal Growth & Design","2009","9","12","5334","","10.1021/cg900825y","","","0.71073","MoKα","","0.0312","0.025","","","0.0622","0.065","","","","","","1.049","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509778","9.0324","0.001","16.1448","0.0018","14.7914","0.0017","90","","90","","90","","2157","0.4","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C84 H72 N8 O16 Zn4 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Yang, Guo-Ping","Syntheses, Structures, and Photoluminescence of a Series of d10Coordination Polymers with R-Isophthalate (R = −OH, −CH3, and −C(CH3)3)","Crystal Growth & Design","2009","9","12","5334","","10.1021/cg900825y","","","0.71073","MoKα","","0.0443","0.0351","","","0.1096","0.1163","","","","","","1.08","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509779","9.587","0.005","17.457","0.009","21.086","0.011","90","","102.083","0.006","90","","3451","3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N2 O9 Zn2 -","- C36 H36 N2 O9 Zn2 -","- C144 H144 N8 O36 Zn8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Yang, Guo-Ping","Syntheses, Structures, and Photoluminescence of a Series of d10Coordination Polymers with R-Isophthalate (R = −OH, −CH3, and −C(CH3)3)","Crystal Growth & Design","2009","9","12","5334","","10.1021/cg900825y","","","0.71073","MoKα","","0.0546","0.039","","","0.0959","0.1037","","","","","","1.026","","","","has coordinates,has disorder","179633","2020-10-21","18:00:00",""
"4509780","31.33","0.008","4.2108","0.0011","8.937","0.002","90","","98.556","0.009","90","","1165.9","0.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H18 Cu2 I2 N4 O3 -","- C24 H18 Cu2 I2 N4 O3 -","- C48 H36 Cu4 I4 N8 O6 -","2","0.5","","Tzeng, Biing-Chiau; Chang, Tsung-Yi","Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions","Crystal Growth & Design","2009","9","12","5343","","10.1021/cg900828v","","","0.71073","MoKα","","0.0562","0.0393","","","0.0827","0.1061","","","","","","1.074","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509781","4.1656","0.0003","26.587","0.002","24.0963","0.0019","90","","96.658","0.001","90","","2650.7","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu3 I3 N4 O3 -","- C24 H18 Cu3 I3 N4 O3 -","- C96 H72 Cu12 I12 N16 O12 -","4","1","","Tzeng, Biing-Chiau; Chang, Tsung-Yi","Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions","Crystal Growth & Design","2009","9","12","5343","","10.1021/cg900828v","","","0.71073","MoKα","","0.0794","0.0666","","","0.1476","0.163","","","","","","1.316","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509782","17.2695","0.001","17.2695","0.001","19.002","0.002","90","","90","","90","","5667.1","0.8","294","2","294","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 Cu8 I4 N12 O4 -","- C16 H24 Cu8 I4 N12 O4 -","- C64 H96 Cu32 I16 N48 O16 -","4","0.25","","Tzeng, Biing-Chiau; Chang, Tsung-Yi","Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions","Crystal Growth & Design","2009","9","12","5343","","10.1021/cg900828v","","","0.71073","MoKα","","0.0442","0.0384","","","0.1099","0.1166","","","","","","1.1","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509783","17.4157","0.0003","17.4157","0.0003","18.5575","0.0003","90","","90","","90","","5628.61","0.16","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 Cu8 I4 N12 O4 -","- C16 H32 Cu8 I4 N12 O4 -","- C64 H128 Cu32 I16 N48 O16 -","4","0.25","","Tzeng, Biing-Chiau; Chang, Tsung-Yi","Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions","Crystal Growth & Design","2009","9","12","5343","","10.1021/cg900828v","","","0.71073","MoKα","","0.0689","0.0487","","","0.1676","0.1834","","","","","","1.147","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509784","13.2089","0.0011","16.6608","0.0014","8.2977","0.0007","90","","90","","90","","1826.1","0.3","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8 H20 Cu I2 N6 O -","- C8 H20 Cu I2 N6 O -","- C32 H80 Cu4 I8 N24 O4 -","4","0.5","","Tzeng, Biing-Chiau; Chang, Tsung-Yi","Toward Copper(I)-Iodide-Based Coordination Architectures viaN,N′-Bis(pyridylcarbonyl)-4,4′-diaminodiphenyl Ether with Different Solvent Compositions","Crystal Growth & Design","2009","9","12","5343","","10.1021/cg900828v","","","0.71073","MoKα","","0.0343","0.0294","","","0.0859","0.0897","","","","","","1.152","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509785","17.9223","0.0006","17.9223","0.0006","33.2705","0.0019","90","","90","","90","","10686.8","0.8","100","2","100","2","","","","","","","","4","I 4","I 4","79","","","","- C120 H200 O76 U8 -","- C120 H168 O76 U8 -","- C240 H336 O152 U16 -","2","0.25","","Thuéry, Pierre","A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4592","","10.1021/cg900851s","","","0.71073","MoKα","","0.0855","0.0509","","","0.1374","0.1474","","","","","","0.998","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509786","17.7501","0.0005","17.7501","0.0005","33.4349","0.0012","90","","90","","90","","10534.2","0.6","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C120 H224 Ba4 O92 U8 -","- C120 H168 Ba4 O92 U8 -","- C240 H336 Ba8 O184 U16 -","2","0.25","","Thuéry, Pierre","A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework","Crystal Growth & Design","2009","9","11","4592","","10.1021/cg900851s","","","0.71073","MoKα","","0.0793","0.0499","","","0.1246","0.1345","","","","","","1.022","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509787","12.711","0.003","13.51","0.003","18.494","0.004","90","","104.54","0.03","90","","3074.2","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 N4 -","- C42 H30 N4 -","- C168 H120 N16 -","4","0.5","","Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue","Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives","Crystal Growth & Design","2009","9","12","5069","","10.1021/cg9008569","","","0.71073","MoKα","","0.0852","0.0493","","","0.132","0.1501","","","","","","1.078","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509788","8.9025","0.0018","26.442","0.005","8.7233","0.0017","90","","100","0.03","90","","2022.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 N6 -","- C52 H40 N6 -","- C104 H80 N12 -","2","0.5","","Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue","Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives","Crystal Growth & Design","2009","9","12","5069","","10.1021/cg9008569","","","0.71073","MoKα","","0.1019","0.0529","","","0.1477","0.1737","","","","","","0.998","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509789","8.6557","0.0017","11.868","0.002","16.994","0.003","108.11","0.03","96.3","0.03","92.46","0.03","1643.7","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H33 N4 -","- C45 H33 N4 -","- C90 H66 N8 -","2","1","","Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue","Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives","Crystal Growth & Design","2009","9","12","5069","","10.1021/cg9008569","","","0.71073","MoKα","","0.175","0.0745","","","0.1523","0.1928","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509790","8.5299","0.0017","12.081","0.002","17.033","0.003","107.44","0.03","95.75","0.03","92.3","0.03","1661.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 N4 -","- C42 H30 N4 -","- C84 H60 N8 -","2","1","","Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue","Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives","Crystal Growth & Design","2009","9","12","5069","","10.1021/cg9008569","","","0.71073","MoKα","","0.1083","0.0619","","","0.1955","0.2186","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509791","8.8701","0.0018","10.946","0.002","15.512","0.003","90","","93","0.03","90","","1504","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C80 H52 N8 -","2","0.5","","Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue","Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives","Crystal Growth & Design","2009","9","12","5069","","10.1021/cg9008569","","","0.71073","MoKα","","0.0665","0.0437","","","0.1032","0.1119","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509792","9.1631","0.0018","12.736","0.003","15.435","0.003","69.66","0.03","80.71","0.03","89.83","0.03","1664.1","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H27 Cl3 N4 -","- C41 H27 Cl3 N4 -","- C82 H54 Cl6 N8 -","2","1","","Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue","Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives","Crystal Growth & Design","2009","9","12","5069","","10.1021/cg9008569","","","0.71073","MoKα","","0.1131","0.0766","","","0.2325","0.2639","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509793","8.1413","0.0016","11.386","0.002","18.937","0.004","88.88","0.03","82.45","0.03","75.81","0.03","1686.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N4 O -","- C44 H34 N4 O -","- C88 H68 N8 O2 -","2","1","","Zhang, Zuolun; Zhang, Yu; Yao, Dandan; Bi, Hai; Javed, Iqbal; Fan, Yan; Zhang, Hongyu; Wang, Yue","Anthracene-Arrangement-Dependent Emissions of Crystals of 9-Anthrylpyrazole Derivatives","Crystal Growth & Design","2009","9","12","5069","","10.1021/cg9008569","","","0.71073","MoKα","","0.1341","0.0683","","","0.191","0.2394","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509794","24.7179","0.0015","15.4064","0.0011","12.8407","0.0009","90","","101.766","0.002","90","","4787.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O5 -","- C17 H15 N3 O5 -","- C204 H180 N36 O60 -","12","3","","Ugono, Onome; Rath, Nigam P.; Beatty, Alica M.","Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids","Crystal Growth & Design","2009","9","11","4595","","10.1021/cg900908n","","","0.71073","MoKα","","0.0878","0.0461","","","0.1021","0.1243","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509795","8.9976","0.0007","13.1796","0.0011","12.7539","0.0011","90","","108.714","0.004","90","","1432.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alica M.","Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids","Crystal Growth & Design","2009","9","11","4595","","10.1021/cg900908n","","","0.71073","MoKα","","0.0975","0.0458","","","0.1176","0.1554","","","","","","0.923","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509796","8.9654","0.0007","12.6596","0.0008","12.7444","0.0009","90","","107.987","0.003","90","","1375.77","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alica M.","Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids","Crystal Growth & Design","2009","9","11","4595","","10.1021/cg900908n","","","0.71073","MoKα","","0.0781","0.0431","","","0.0982","0.1163","","","","","","1.007","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509797","16.4915","0.0011","6.5669","0.0004","13.6542","0.0009","90","","118.91","0.003","90","","1294.44","0.15","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H14 F N3 O4 -","- C13 H14 F N3 O4 -","- C52 H56 F4 N12 O16 -","4","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alica M.","Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids","Crystal Growth & Design","2009","9","11","4595","","10.1021/cg900908n","","","0.71073","MoKα","","0.04","0.0354","","","0.0923","0.0956","","","","","","1.09","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509798","6.6338","0.0004","7.6444","0.0005","8.6996","0.0008","113.502","0.005","102.074","0.005","102.532","0.004","372.77","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","1","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alica M.","Synthesis and Control of Single Layer and Polar 2-D Layered Architectures in a Series of Organic Layered Solids","Crystal Growth & Design","2009","9","11","4595","","10.1021/cg900908n","","","0.71073","MoKα","","0.0696","0.0542","","","0.1353","0.1434","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509799","10.444","0.002","11.355","0.002","11.697","0.002","101.92","0.03","101.18","0.03","112.71","0.03","1193.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl2 N20 Ni4 O12 -","- C36 H38 Cl2 N20 Ni4 O12 -","- C36 H38 Cl2 N20 Ni4 O12 -","1","0.5","","Ji, Cong-Min; Yang, Hui-Juan; Zhao, Chong-Chao; Tangoulis, Vassilis; Cui, Ai-Li; Kou, Hui-Zhong","Self-Assembly of Multidecker NiIIClusters from Preformed Ni4Decks","Crystal Growth & Design","2009","9","11","4607","","10.1021/cg900975y","","","0.71073","MoKα","","0.1723","0.095","","","0.2215","0.2589","","","","","","1.002","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509800","15.936","0.003","17.524","0.004","14.848","0.003","90","","110.53","0.03","90","","3883.1","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 Cl4 N26 Ni8 O30 -","- C52 H62 Cl4 N26 Ni8 O30 -","- C104 H124 Cl8 N52 Ni16 O60 -","2","0.5","","Ji, Cong-Min; Yang, Hui-Juan; Zhao, Chong-Chao; Tangoulis, Vassilis; Cui, Ai-Li; Kou, Hui-Zhong","Self-Assembly of Multidecker NiIIClusters from Preformed Ni4Decks","Crystal Growth & Design","2009","9","11","4607","","10.1021/cg900975y","","","0.71073","MoKα","","0.0764","0.0438","","","0.0891","0.1112","","","","","","1.022","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509801","14.086","0.003","15.411","0.003","15.621","0.003","60.6","0.03","77.43","0.03","82.97","0.03","2883","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H89 Cl4 N43 Ni12 O38 -","- C74 H60 Cl4 N43 Ni12 O38 -","- C74 H60 Cl4 N43 Ni12 O38 -","1","0.5","","Ji, Cong-Min; Yang, Hui-Juan; Zhao, Chong-Chao; Tangoulis, Vassilis; Cui, Ai-Li; Kou, Hui-Zhong","Self-Assembly of Multidecker NiIIClusters from Preformed Ni4Decks","Crystal Growth & Design","2009","9","11","4607","","10.1021/cg900975y","","","0.71073","MoKα","","0.1464","0.0729","","","0.1483","0.1671","","","","","","1.039","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509802","16.58","0.003","27.108","0.003","17.122","0.006","90","","90","","90","","7695","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cl2 Co N6 O2 -","- C39 H42 Cl2 Co N6 O2 -","- C312 H336 Cl16 Co8 N48 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1142","0.0763","","","0.2102","0.2401","","","","","","0.983","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509803","5.189","0.001","12.98","0.001","10.493","0.001","90","","93.589","0.002","90","","705.35","0.16","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.0298","0.0252","","","0.065","0.0681","","","","","","1.092","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509804","17.187","0.001","17.187","0.001","42.299","0.003","90","","90","","90","","12494.8","1.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C26 H34 Cl2 Co N4 O3 -","- C26 H28 Cl2 Co N4 O3 -","- C416 H448 Cl32 Co16 N64 O48 -","16","1","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.2449","0.13","","","0.3992","0.4657","","","","","","1.465","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509805","22.062","0.009","16.984","0.008","15.647","0.007","90","","118.183","0.006","90","","5168","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H30.5 Cl2 Cu N3 O1.75 -","- C23.5 H29 Cl2 Cu N3 O1.75 -","- C188 H232 Cl16 Cu8 N24 O14 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1468","0.1072","","","0.2587","0.2875","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509806","16.991","0.004","16.991","0.004","41.947","0.009","90","","90","","90","","12110","5","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C26 H34 Cl2 N4 Ni O3 -","- C26 H28 Cl2 N4 Ni O3 -","- C416 H448 Cl32 N64 Ni16 O48 -","16","1","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.2769","0.1355","","","0.4016","0.4697","","","","","","1.25","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509807","16.517","0.002","26.922","0.004","17.221","0.002","90","","90","","90","","7657.7","1.7","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cl2 Fe N6 O2 -","- C39 H42 Cl2 Fe0.99 N6 O2 -","- C312 H336 Cl16 Fe7.92 N48 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1883","0.0644","","","0.1285","0.1724","","","","","","0.965","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509808","17.081","0.002","17.081","0.002","42.554","0.005","90","","90","","90","","12416","3","180","2","180","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C26 H33 Cl2 Fe N4 O2.5 -","- C26 H28 Cl2 Fe N4 O2.5 -","- C416 H448 Cl32 Fe16 N64 O40 -","16","1","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1839","0.1316","","","0.3889","0.4229","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509809","17.201","0.002","17.201","0.002","42.697","0.004","90","","90","","90","","12633","2","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C27 H34 Cl2 Mn N4 O2 -","- C27 H31 Cl2 Mn N4 O2 -","- C432 H496 Cl32 Mn16 N64 O32 -","16","1","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1476","0.1133","","","0.2932","0.3104","","","","","","1.147","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509810","17.536","0.001","17.536","0.001","42.966","0.003","90","","90","","90","","13212.5","1.4","219","2","219","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C27 H34 Cd Cl2 N4 O2 -","- C27 H31.5 Cd Cl2 N4 O2 -","- C432 H504 Cd16 Cl32 N64 O32 -","16","1","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1878","0.1208","","","0.3743","0.4026","","","","","","1.056","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509811","16.516","0.004","26.779","0.006","17.705","0.003","90","","90","","90","","7831","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cd Cl2 N6 O2 -","- C39 H42 Cd Cl2 N6 O2 -","- C312 H336 Cd8 Cl16 N48 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.0998","0.0336","","","0.0819","0.0988","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509812","16.484","0.003","26.901","0.003","16.973","0.006","90","","90","","90","","7526","3","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C39 H46 Cl2 N6 Ni O2 -","- C39 H42 Cl2 N6 Ni O2 -","- C312 H336 Cl16 N48 Ni8 O16 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; García-Ruiz, Juan Manuel; Moret, Massimo; Proserpio, Davide M.; Rizzato, Silvia","Crystallization Behavior of Coordination Polymers. 1. Kinetic and Thermodynamic Features of 1,3-Bis(4-pyridyl)propane/MCl2Systems","Crystal Growth & Design","2009","9","12","5024","","10.1021/cg900985w","","","0.71073","MoKα","","0.1833","0.1194","","","0.2836","0.3226","","","","","","1.032","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509813","34.171","0.003","4.8197","0.0003","9.8356","0.0007","90","","101.054","0.003","90","","1589.8","0.2","395","2","395","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","1","","Coles, S. J.; Gelbrich, T.; Griesser, U. J.; Hursthouse, M. B.; Pitak, M.; Threlfall, T.","The Elusive High Temperature Solid-State Structure ofd,l-Norleucine","Crystal Growth & Design","2009","9","11","4610","","10.1021/cg901045t","","","0.71073","MoKα","","0.1237","0.1046","","","0.2934","0.3192","","","","","","1.283","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509814","31.2955","0.0009","4.7266","0.0001","9.8803","0.0003","90","","91.87","0.002","90","","1460.73","0.07","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","1","","Coles, S. J.; Gelbrich, T.; Griesser, U. J.; Hursthouse, M. B.; Pitak, M.; Threlfall, T.","The Elusive High Temperature Solid-State Structure ofd,l-Norleucine","Crystal Growth & Design","2009","9","11","4610","","10.1021/cg901045t","","","0.71073","MoKα","","0.0475","0.0449","","","0.1188","0.1226","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509815","16.513","0.0008","4.774","0.0002","9.9245","0.0004","90","","102.338","0.003","90","","764.31","0.06","385","2","385","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Coles, S. J.; Gelbrich, T.; Griesser, U. J.; Hursthouse, M. B.; Pitak, M.; Threlfall, T.","The Elusive High Temperature Solid-State Structure ofd,l-Norleucine","Crystal Growth & Design","2009","9","11","4610","","10.1021/cg901045t","","","0.71073","MoKα","","0.0746","0.0601","","","0.1658","0.1818","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509816","12.0789","0.0007","12.0789","0.0007","76.793","0.006","90","","90","","90","","11204.1","1.3","294","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C50 H56 Cl2 N6 O8 Pt2 S4 -","- C50 H56 Cl2 N6 O8 Pt2 S4 -","- C400 H448 Cl16 N48 O64 Pt16 S32 -","8","0.5","","Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang","Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines","Crystal Growth & Design","2009","9","12","5356","","10.1021/cg901100z","","","0.71073","MoKα","","0.1421","0.0799","","","0.157","0.1827","","","","","","1.131","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509817","12.6956","0.0002","15.4076","0.0002","16.6151","0.0002","66.3302","0.0009","80.2927","0.0008","79.9283","0.0008","2913.27","0.07","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H60 Cl2 N6 O9 Pt2 S4 -","- C51 H60 Cl2 N6 O9 Pt2 S4 -","- C102 H120 Cl4 N12 O18 Pt4 S8 -","2","1","","Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang","Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines","Crystal Growth & Design","2009","9","12","5356","","10.1021/cg901100z","","","0.71073","MoKα","","0.0913","0.047","","","0.092","0.1092","","","","","","1.015","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509818","16.7779","0.0002","24.0069","0.0002","19.1498","0.0002","90","","115.285","0.0005","90","","6974.27","0.13","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58.5 H78 F12 N8 O2.5 P2 Pt2 S2 -","- C58.5 H78 F12 N8 O2.5 P2 Pt2 S2 -","- C234 H312 F48 N32 O10 P8 Pt8 S8 -","4","1","","Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang","Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines","Crystal Growth & Design","2009","9","12","5356","","10.1021/cg901100z","","","0.71073","MoKα","","0.081","0.0532","","","0.1433","0.1604","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509819","11.7638","0.001","14.6474","0.0013","17.9254","0.0016","68.308","0.002","82.091","0.002","87.821","0.002","2842.4","0.4","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H63 Cl2 N8 O9 Pt2 S2 -","- C52 H63 Cl2 N8 O9 Pt2 S2 -","- C104 H126 Cl4 N16 O18 Pt4 S4 -","2","1","","Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang","Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines","Crystal Growth & Design","2009","9","12","5356","","10.1021/cg901100z","","","0.71073","MoKα","","0.0987","0.0521","","","0.1015","0.128","","","","","","1.008","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509820","11.6084","0.0005","14.2276","0.0007","18.0294","0.0008","68.226","0.001","82.602","0.001","88.334","0.001","2741.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H60 Cl2 N6 O11 Pt2 S2 -","- C51 H60 Cl2 N6 O11 Pt2 S2 -","- C102 H120 Cl4 N12 O22 Pt4 S4 -","2","1","","Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang","Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines","Crystal Growth & Design","2009","9","12","5356","","10.1021/cg901100z","","","0.71073","MoKα","","0.0648","0.0452","","","0.0925","0.1077","","","","","","1.101","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509821","14.0251","0.0011","12.3473","0.001","34.0632","0.0019","90","","113.738","0.003","90","","5399.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 Cl2 N6 O10 Pt2 S2 -","- C47 H56 Cl2 N6 O10 Pt2 S2 -","- C188 H224 Cl8 N24 O40 Pt8 S8 -","4","1","","Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang","Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines","Crystal Growth & Design","2009","9","12","5356","","10.1021/cg901100z","","","0.71073","MoKα","","0.1412","0.0961","","","0.1795","0.2008","","","","","","1.162","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509822","7.264","0.005","13.546","0.005","14.967","0.005","90","0.005","102.254","0.005","90","0.005","1439.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F6 I N P -","- C12 H10 F6 I N P -","- C48 H40 F24 I4 N4 P4 -","4","1","","García, Marcos D.; Blanco, Víctor; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M.","Interplay between Halogen/Hydrogen Bonding and Electrostatic Interactions in 1,1′-Bis(4-iodobenzyl)-4,4′-bipyridine-1,1′-diium Salts","Crystal Growth & Design","2009","9","12","5009","","10.1021/cg901175e","","","0.71073","MoKα","","0.0429","0.0269","","","0.049","0.0543","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509823","8.8044","0.0002","18.017","0.0005","8.9314","0.0003","90","","117.005","0.001","90","","1262.3","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br2 I2 N2 O2 -","- C24 H24 Br2 I2 N2 O2 -","- C48 H48 Br4 I4 N4 O4 -","2","0.5","","García, Marcos D.; Blanco, Víctor; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M.","Interplay between Halogen/Hydrogen Bonding and Electrostatic Interactions in 1,1′-Bis(4-iodobenzyl)-4,4′-bipyridine-1,1′-diium Salts","Crystal Growth & Design","2009","9","12","5009","","10.1021/cg901175e","","","0.71073","MoKα","","0.0202","0.0176","","","0.0411","0.0421","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509824","9.0698","0.0003","17.7322","0.0005","8.5588","0.0002","90","","116.193","0.001","90","","1235.14","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl2 I2 N2 O2 -","- C24 H24 Cl2 I2 N2 O2 -","- C48 H48 Cl4 I4 N4 O4 -","2","0.5","","García, Marcos D.; Blanco, Víctor; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M.","Interplay between Halogen/Hydrogen Bonding and Electrostatic Interactions in 1,1′-Bis(4-iodobenzyl)-4,4′-bipyridine-1,1′-diium Salts","Crystal Growth & Design","2009","9","12","5009","","10.1021/cg901175e","","","0.71073","MoKα","","0.0364","0.033","","","0.0736","0.0758","","","","","","1.071","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509825","12.8509","0.0005","13.0624","0.0005","45.1287","0.0017","90","","90","","90","","7575.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22.15 H18.46 I3.69 N1.85 -","- C22.1538 H18.4615 I3.69231 N1.84615 -","- C288 H240 I48 N24 -","13","1.625","","García, Marcos D.; Blanco, Víctor; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M.","Interplay between Halogen/Hydrogen Bonding and Electrostatic Interactions in 1,1′-Bis(4-iodobenzyl)-4,4′-bipyridine-1,1′-diium Salts","Crystal Growth & Design","2009","9","12","5009","","10.1021/cg901175e","","","0.71073","MoKα","","0.0368","0.0264","","","0.0622","0.0744","","","","","","1.134","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509826","27.851","0.01","4.6754","0.0017","16.764","0.006","90","","110.908","0.004","90","","2039.2","1.3","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 O8 -","- C21 H24 O8 -","- C84 H96 O32 -","4","0.5","","Kohmoto, Shigeo; Kuroda, Yu; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Square-Shaped Cyclic Dimers vs Zigzag Hydrogen-Bonding Networks and Pseudoconformational Polymorphism of Tethered Benzoic Acids","Crystal Growth & Design","2009","9","12","5017","","10.1021/cg901244v","","","0.71073","MoKα","","0.0646","0.045","","","0.1113","0.1257","","","","","","1.021","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509827","18.241","0.008","4.4906","0.0019","15.404","0.007","90","","113.219","0.007","90","","1159.6","0.9","90","","90","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C23 H32 O10 -","- C23 H32 O10 -","- C46 H64 O20 -","2","0.5","","Kohmoto, Shigeo; Kuroda, Yu; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Square-Shaped Cyclic Dimers vs Zigzag Hydrogen-Bonding Networks and Pseudoconformational Polymorphism of Tethered Benzoic Acids","Crystal Growth & Design","2009","9","12","5017","","10.1021/cg901244v","","","0.71073","MoKα","","0.121","0.0682","","","0.1786","0.2079","","","","","","0.978","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509828","5.4919","0.0006","12.5958","0.0013","17.2079","0.0018","71.111","0.001","86.297","0.001","85.83","0.001","1122.2","0.2","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H27 O8 -","- C24 H27 O8 -","- C48 H54 O16 -","2","1","","Kohmoto, Shigeo; Kuroda, Yu; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Square-Shaped Cyclic Dimers vs Zigzag Hydrogen-Bonding Networks and Pseudoconformational Polymorphism of Tethered Benzoic Acids","Crystal Growth & Design","2009","9","12","5017","","10.1021/cg901244v","","","0.71073","MoKα","","0.0552","0.0414","","","0.1071","0.1181","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509829","5.2438","0.0006","12.4009","0.0014","17.4032","0.0019","79.855","0.001","89.499","0.001","89.383","0.002","1113.9","0.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H26.5 N O8 -","- C24.5 H25 N0.5 O8 -","- C49 H50 N O16 -","2","1","","Kohmoto, Shigeo; Kuroda, Yu; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Square-Shaped Cyclic Dimers vs Zigzag Hydrogen-Bonding Networks and Pseudoconformational Polymorphism of Tethered Benzoic Acids","Crystal Growth & Design","2009","9","12","5017","","10.1021/cg901244v","","","0.71073","MoKα","","0.074","0.0455","","","0.1133","0.1289","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509830","10.016","0.006","11.027","0.007","14.051","0.008","79.032","0.008","75.086","0.008","67.286","0.007","1376.1","1.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H32 O8 -","- C33 H32 O8 -","- C66 H64 O16 -","2","1","","Kohmoto, Shigeo; Kuroda, Yu; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Square-Shaped Cyclic Dimers vs Zigzag Hydrogen-Bonding Networks and Pseudoconformational Polymorphism of Tethered Benzoic Acids","Crystal Growth & Design","2009","9","12","5017","","10.1021/cg901244v","","","0.71073","MoKα","","0.2247","0.0789","","","0.1601","0.2218","","","","","","0.921","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509831","13.053","0.005","6.321","0.003","7.45","0.003","90","","98.47","0.02","90","","608","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C28 H16 N4 O8 -","2","1","","Perman, Jason A.; Dubois, Kevin; Nouar, Farid; Zoccali, Sandra; Wojtas, Łukasz; Eddaoudi, Mohamed; Larsen, Randy W.; Zaworotko, Michael J.","Cocrystal Controlled Solid-State Synthesis of a Thermally Stable Nicotinate Analogue That Sustains an Isostructural Series of Porous Metal−Organic Materials","Crystal Growth & Design","2009","9","12","5021","","10.1021/cg9013366","","","1.54178","CuKα","","0.0464","0.0351","","","0.0709","0.0766","","","","","","1.132","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509832","8.393","0.0004","22.2351","0.001","18.7421","0.0008","90","","94.031","0.002","90","","3489","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16.7 H11.05 Cd0.5 N2.65 O5.4 -","- C16.7 H11.05 Cd0.5 N2.65 O5.4 -","- C133.6 H88.4 Cd4 N21.2 O43.2 -","8","2","","Perman, Jason A.; Dubois, Kevin; Nouar, Farid; Zoccali, Sandra; Wojtas, Łukasz; Eddaoudi, Mohamed; Larsen, Randy W.; Zaworotko, Michael J.","Cocrystal Controlled Solid-State Synthesis of a Thermally Stable Nicotinate Analogue That Sustains an Isostructural Series of Porous Metal−Organic Materials","Crystal Growth & Design","2009","9","12","5021","","10.1021/cg9013366","","","1.54178","CuKα","","0.0815","0.0576","","","0.1621","0.176","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510217","24.304","0.003","13.1642","0.0019","14.231","0.002","90","","90","","90","","4553.3","1.1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H45 Br Cl6 N O8 P -","- C38 H45 Br Cl6 N O8 P -","- C152 H180 Br4 Cl24 N4 O32 P4 -","4","1","","Pathak, Rakesh K.; Marrache, Sean; Harn, Donald A.; Dhar, Shanta","Mito-DCA: A Mitochondria Targeted Molecular Scaffold for Efficacious Delivery of Metabolic Modulator Dichloroacetate.","ACS chemical biology","2014","9","5","1178","1187","10.1021/cb400944y","","","0.71073","MoKα","","0.1251","0.0629","","","0.1289","0.1556","","","","","","1.002","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4511025","19.27","0.003","19.906","0.003","25.249","0.003","90","","90","","90","","9685","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2:3 co-crystal Form I of Trimesic acid and 1,2-bis(4-pyridyl)ethane","2:3 co-crystal Form I of Benzene-1,3,5-tricarboxylic acid and 1,2-bis(4-pyridyl)ethane","","- C54 H48 N6 O12 -","- C54 H48 N6 O12 -","- C432 H384 N48 O96 -","8","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0915","0.0557","","","0.1262","0.1548","","","","","","1.062","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511026","12.595","0.0011","16.2095","0.0014","19.9048","0.0018","90","","93.535","0.002","90","","4056","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 N2 O4 -","- C46 H52 N2 O4 -","- C184 H208 N8 O16 -","4","1","","Cagulada, Amy M.; Lynch, Daniel E.; Hamilton, Darren G.","Structure and Properties of Modular Components for Applications in Topological Supramolecular Chemistry","Crystal Growth & Design","2009","9","2","825","","10.1021/cg800428h","","","0.7848","synchrotron","","0.1085","0.0556","","","0.1251","0.15","","","","","","0.975","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511027","11.9426","0.0006","13.7136","0.0011","11.1573","0.0008","90","","105.743","0.004","90","","1758.8","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 O8 -","- C40 H50 O8 -","- C80 H100 O16 -","2","0.5","","Cagulada, Amy M.; Lynch, Daniel E.; Hamilton, Darren G.","Structure and Properties of Modular Components for Applications in Topological Supramolecular Chemistry","Crystal Growth & Design","2009","9","2","825","","10.1021/cg800428h","","","0.71073","MoKα","","0.1369","0.1167","","","0.4156","0.4267","","","","","","1.845","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511028","9.2355","0.0011","22.702","0.003","24.698","0.003","90","","90","","90","","5178.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H32 N2 O9 -","- C27 H32 N2 O9 -","- C216 H256 N16 O72 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Guo, Wei; Fu, Xiao-Juan","Multi-Component Hydrogen-Bonding Assembly of a Pharmaceutical Agent Pamoic Acid with Piperazine or 4,4′-Bipyridyl: A Channel Hydrated Salt with Multiple-Helical Motifs vs a Bimolecular Cocrystal","Crystal Growth & Design","2009","9","4","1655","","10.1021/cg801393a","","","0.71073","MoKα","","0.0532","0.0374","","","0.0964","0.1055","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511029","16.602","0.004","8.503","0.002","18.58","0.005","90","","101.21","0.004","90","","2572.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 O6 -","- C33 H24 N2 O6 -","- C132 H96 N8 O24 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Guo, Wei; Fu, Xiao-Juan","Multi-Component Hydrogen-Bonding Assembly of a Pharmaceutical Agent Pamoic Acid with Piperazine or 4,4′-Bipyridyl: A Channel Hydrated Salt with Multiple-Helical Motifs vs a Bimolecular Cocrystal","Crystal Growth & Design","2009","9","4","1655","","10.1021/cg801393a","","","0.71073","MoKα","","0.0706","0.0427","","","0.1035","0.1191","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511030","19.524","0.003","7.5482","0.0012","7.9651","0.0013","90","","90","","90","","1173.8","0.3","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","PtCl2(ATQACH2NH2)","","","- C10 H18 Cl2 N2 Pt -","- C10 H18 Cl2 N2 Pt -","- C40 H72 Cl8 N8 Pt4 -","4","1","","Gussenhoven, Emily M.; Jevric, Martyn; Olmstead, Marilyn M.; Fettinger, James C.; Mascal, Mark; Balch, Alan L.","Crystal Packing in Planar Platinum(II) and Palladium(II) Complexes. Hydrogen-Bond-Mediated Supramolecular Assembly of Ten Wedge-Shaped Molecules into a Cyclic Array","Crystal Growth & Design","2009","9","4","1786","","10.1021/cg800906x","","","0.71073","MoKα","","0.0355","0.0275","","","0.0655","0.0687","","","","","","1.069","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511031","15.5863","0.0006","15.5863","0.0006","15.5863","0.0006","90","","90","","90","","3786.4","0.3","298","2","298","2","","","","","","","","6","I 41 3 2","I 4bd 2c 3","214","","","","- C18 H48 Fe2 N6 O20 S2 -","- C18 H48 Fe2 N6 O20 S2 -","- C72 H192 Fe8 N24 O80 S8 -","4","0.0833333","","Li, Cui-Rui; Li, Shi-Li; Zhang, Xian-Ming","D3-Symmetric Supramolecular Cation {(Me2NH2)6(SO4)}4+As a New Template for 3D Homochiral (10,3)-a Metal Oxalates","Crystal Growth & Design","2009","9","4","1702","","10.1021/cg800522h","","","0.71073","MoKα","","0.047","0.0413","","","0.1046","0.1085","","","","","","1.046","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511032","15.4519","0.0005","15.4519","0.0005","15.4519","0.0005","90","","90","","90","","3689.3","0.2","298","2","298","2","","","","","","","","6","I 41 3 2","I 4bd 2c 3","214","","","","- C18 H48 Co2 N6 O20 S2 -","- C18 H48 Co2 N6 O20 S2 -","- C72 H192 Co8 N24 O80 S8 -","4","0.0833333","","Li, Cui-Rui; Li, Shi-Li; Zhang, Xian-Ming","D3-Symmetric Supramolecular Cation {(Me2NH2)6(SO4)}4+As a New Template for 3D Homochiral (10,3)-a Metal Oxalates","Crystal Growth & Design","2009","9","4","1702","","10.1021/cg800522h","","","0.71073","MoKα","","0.0489","0.0489","","","0.1273","0.1273","","","","","","1.202","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511033","15.3105","0.0005","15.3105","0.0005","15.3105","0.0005","90","","90","","90","","3589","0.2","298","2","298","2","","","","","","","","6","I 41 3 2","I 4bd 2c 3","214","","","","- C18 H48 N6 Ni2 O20 S2 -","- C18 H48 N6 Ni2 O20 S2 -","- C72 H192 N24 Ni8 O80 S8 -","4","0.0833333","","Li, Cui-Rui; Li, Shi-Li; Zhang, Xian-Ming","D3-Symmetric Supramolecular Cation {(Me2NH2)6(SO4)}4+As a New Template for 3D Homochiral (10,3)-a Metal Oxalates","Crystal Growth & Design","2009","9","4","1702","","10.1021/cg800522h","","","0.71073","MoKα","","0.0401","0.0381","","","0.0973","0.0989","","","","","","1.13","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511034","8.2899","0.0017","8.6388","0.0017","12.1","0.002","83.76","0.03","88.29","0.03","81.61","0.03","852.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 N5 O5 Pb -","- C17 H12 N5 O5 Pb -","- C34 H24 N10 O10 Pb2 -","2","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0381","0.0314","","","0.0657","0.0692","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511035","12.4199","0.0011","7.5024","0.0007","18.5981","0.0016","90","","98.681","0.002","90","","1713.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N4 O4 Pb -","- C19 H14 N4 O4 Pb -","- C76 H56 N16 O16 Pb4 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0524","0.0334","","","0.0697","0.0761","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511036","8.8647","0.0018","10.648","0.002","27.091","0.005","100.12","0.03","90.24","0.03","91.79","0.03","2516","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H48 N12 O9 Pb2 -","- C58 H44 N12 O9 Pb2 -","- C116 H88 N24 O18 Pb4 -","2","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0633","0.0407","","","0.1545","0.1673","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511037","9.324","0.0019","13.562","0.003","18.148","0.004","95.33","0.03","90.47","0.03","100.64","0.03","2244.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H62 N16 O19 Pb4 -","- C104 H56 N16 O19 Pb4 -","- C104 H56 N16 O19 Pb4 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0439","0.0314","","","0.0688","0.0732","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511038","7.1636","0.0014","9.2479","0.0018","15.909","0.003","104.98","0.03","91.05","0.03","103.37","0.03","987.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 N8 O11 Pb2 -","- C44 H28 N8 O11 Pb2 -","- C44 H28 N8 O11 Pb2 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0385","0.0323","","","0.0717","0.074","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511039","7.274","0.0015","12.231","0.002","12.714","0.003","113.17","0.03","96.48","0.03","92.11","0.03","1029.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N4 O5 Pb -","- C22 H12 N4 O5 Pb -","- C44 H24 N8 O10 Pb2 -","2","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0342","0.0307","","","0.0711","0.0729","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511040","12.283","0.003","10.59","0.002","15.526","0.003","90","","95.14","0.03","90","","2011.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N10 O10 Pb2 -","- C44 H32 N10 O10 Pb2 -","- C88 H64 N20 O20 Pb4 -","2","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0399","0.0261","","","0.0478","0.0518","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511041","8.5905","0.0017","9.984","0.002","13.171","0.003","90.86","0.03","98.33","0.03","111.8","0.03","1034.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O4 Pb -","- C24 H18 N4 O4 Pb -","- C48 H36 N8 O8 Pb2 -","2","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0466","0.0374","","","0.0831","0.0861","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511042","9.1613","0.0018","10.42","0.002","12.975","0.003","99.34","0.03","90.76","0.03","98.24","0.03","1208.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N4 O4 Pb -","- C27 H22 N4 O4 Pb -","- C54 H44 N8 O8 Pb2 -","2","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0344","0.0288","","","0.0856","0.0944","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511043","10.06","0.002","11.932","0.002","12.059","0.002","93.42","0.03","91.98","0.03","112.88","0.03","1328.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H40 N8 O8 Pb2 -","- C66 H40 N8 O8 Pb2 -","- C66 H40 N8 O8 Pb2 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0285","0.0236","","","0.0529","0.0656","","","","","","1.157","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511044","9.3797","0.0003","9.4191","0.0003","15.6963","0.0005","101.071","0.002","90.383","0.003","114.053","0.003","1237.17","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H37 N8 O13 Pb2 -","- C54 H32 N8 O13 Pb2 -","- C54 H32 N8 O13 Pb2 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","1.54184","CuKα","","0.0278","0.0255","","","0.0643","0.0658","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511045","9.4663","0.0019","10.833","0.002","13.159","0.003","94.19","0.03","106.42","0.03","105.72","0.03","1229.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N4 O4.75 Pb -","- C27 H16 N4 O4.75 Pb -","- C54 H32 N8 O9.5 Pb2 -","2","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands","Crystal Growth & Design","2009","9","4","1894","","10.1021/cg801085d","","","0.71073","MoKα","","0.0447","0.0353","","","0.0755","0.0788","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511046","19.69","0.003","19.69","0.003","7.6026","0.0012","90","","90","","120","","2552.6","0.7","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C13 H18 Cl N3 O3 S -","- C13.01 H18.02 Cl N3 O3 S -","- C78.06 H108.12 Cl6 N18 O18 S6 -","6","0.5","","Comotti, Angiolina; Bracco, Silvia; Sozzani, Piero; Hawxwell, Samuel M.; Hu, Chunhua; Ward, Michael D.","Guest Molecules Confined in Amphipathic Crystals as Revealed by X-ray Diffraction and MAS NMR†","Crystal Growth & Design","2009","9","7","2999","","10.1021/cg900282k","","","0.71073","MoKα","","0.0962","0.0661","","","0.1835","0.2007","","","","","","1.093","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511047","8.7996","0.0012","15.35","0.002","12.1775","0.0016","90","","94.833","0.002","90","","1639","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C64 H56 Cu8 N24 -","4","1","","Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan","New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene)","Crystal Growth & Design","2009","9","10","4533","","10.1021/cg900547b","","","0.71073","MoKα","","0.0949","0.0556","","","0.1226","0.1405","","","","","","1.035","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511048","14.5596","0.001","13.184","0.0009","17.4423","0.0013","90","","90","","90","","3348.1","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C128 H112 Cu16 N48 -","8","1","","Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan","New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene)","Crystal Growth & Design","2009","9","10","4533","","10.1021/cg900547b","","","0.71073","MoKα","","0.0474","0.0329","","","0.0766","0.0823","","","","","","1.039","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511049","8.6729","0.0009","13.678","0.0014","14.1078","0.0015","77.424","0.002","76.202","0.002","73.774","0.002","1539.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cu N14 O -","- C28 H30 Cu N14 O -","- C56 H60 Cu2 N28 O2 -","2","1","","Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan","New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene)","Crystal Growth & Design","2009","9","10","4533","","10.1021/cg900547b","","","0.71073","MoKα","","0.1176","0.0943","","","0.2615","0.2887","","","","","","1.054","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511050","8.308","0.0011","9.3858","0.0013","9.4912","0.0013","104.358","0.002","90.672","0.002","104.581","0.002","691.71","0.16","273","2","273","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 Cu N14 -","- C28 H28 Cu N14 -","- C28 H28 Cu N14 -","1","1","","Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan","New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene)","Crystal Growth & Design","2009","9","10","4533","","10.1021/cg900547b","","","0.71073","MoKα","","0.0396","0.0358","","","0.0882","0.0912","","","","","","1.057","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511051","6.8385","0.0012","15.397","0.003","21.537","0.004","90","","90","","90","","2267.7","0.7","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H14 Cu3 N6 -","- C24 H14 Cu3 N6 -","- C96 H56 Cu12 N24 -","4","0.5","","Liu, Can; Ding, You-Bang; Shi, Xu-Hua; Zhang, Dan; Hu, Mei-Hong; Yin, Ye-Gao; Li, Dan","Interpenetrating Metal−Organic Frameworks Assembled from Polypyridine Ligands and Cyanocuprate Catenations","Crystal Growth & Design","2009","9","3","1275","","10.1021/cg801217j","","","0.71073","MoKα","","0.1176","0.0605","","","0.129","0.1521","","","","","","1.022","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511052","7.1824","0.0008","11.5203","0.0012","14.1814","0.0015","95.051","0.002","99.992","0.002","102.446","0.002","1118.8","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H28 Cu7 N16 -","- C46 H28 Cu7 N16 -","- C46 H28 Cu7 N16 -","1","0.5","","Liu, Can; Ding, You-Bang; Shi, Xu-Hua; Zhang, Dan; Hu, Mei-Hong; Yin, Ye-Gao; Li, Dan","Interpenetrating Metal−Organic Frameworks Assembled from Polypyridine Ligands and Cyanocuprate Catenations","Crystal Growth & Design","2009","9","3","1275","","10.1021/cg801217j","","","0.71073","MoKα","","0.0529","0.0451","","","0.1095","0.1138","","","","","","1.085","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511053","53.599","0.002","53.599","0.002","11.0015","0.0009","90","","90","","120","","27371","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C74.67 H90.67 N2.67 O8 -","- C74 H88 N2 O8 -","- C1332 H1584 N36 O144 -","18","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Co-crystallization of Ionic and Neutral Supramolecular Motifs Derived from Identical Components","Crystal Growth & Design","2009","9","3","1284","","10.1021/cg8013738","","","0.71073","MoKα","","0.0985","0.0679","","","0.1579","0.171","","","","","","1.021","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511054","8.434","0.005","12.342","0.006","12.702","0.007","109.453","0.006","97.697","0.007","102.72","0.007","1184.8","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O11 S3 -","- C18 H15 N3 O11 S3 -","- C36 H30 N6 O22 S6 -","2","1","","Katagiri, Kosuke; Kato, Takako; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorph and Infinite Hydrogen Bonding Network of Cyclic Oligomers ofm-Aminobenzenesulfonic Acid","Crystal Growth & Design","2009","9","3","1519","","10.1021/cg801073k","","","0.71073","MoKα","","0.144","0.0814","","","0.198","0.2276","","","","","","1.045","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511055","8.4301","0.0013","8.9689","0.0014","28.364","0.004","90","","91.137","0.002","90","","2144.1","0.6","291","","291","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O7 S3 -","- C19 H19 N3 O7 S3 -","- C76 H76 N12 O28 S12 -","4","1","","Katagiri, Kosuke; Kato, Takako; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorph and Infinite Hydrogen Bonding Network of Cyclic Oligomers ofm-Aminobenzenesulfonic Acid","Crystal Growth & Design","2009","9","3","1519","","10.1021/cg801073k","","","0.71073","MoKα","","0.0557","0.0403","","","0.117","0.1327","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511056","9.949","0.002","10.949","0.002","11.94","0.003","81.215","0.003","75.704","0.003","77.805","0.003","1225","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N5 O6 S3 -","- C22 H21 N5 O6 S3 -","- C44 H42 N10 O12 S6 -","2","1","","Katagiri, Kosuke; Kato, Takako; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorph and Infinite Hydrogen Bonding Network of Cyclic Oligomers ofm-Aminobenzenesulfonic Acid","Crystal Growth & Design","2009","9","3","1519","","10.1021/cg801073k","","","0.71073","MoKα","","0.0562","0.0448","","","0.1299","0.1413","","","","","","1.126","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511057","15.269","0.012","15.269","0.012","21.613","0.018","90","","90","","90","","5039","7","90","","90","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H20 N4 O8 S4 -","- C24 H20 N4 O8 S4 -","- C192 H160 N32 O64 S32 -","8","0.5","","Katagiri, Kosuke; Kato, Takako; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorph and Infinite Hydrogen Bonding Network of Cyclic Oligomers ofm-Aminobenzenesulfonic Acid","Crystal Growth & Design","2009","9","3","1519","","10.1021/cg801073k","","","0.71073","MoKα","","0.1524","0.1098","","","0.2342","0.2665","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511058","8.707","0.0012","13.6795","0.0018","12.294","0.0016","90","","93.903","0.003","90","","1460.9","0.3","170","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Al Cl4 N -","- C9 H14 Al Cl4 N -","- C36 H56 Al4 Cl16 N4 -","4","1","","Mahjoor, Parisa; Latturner, Susan E.","Synthesis and Structural Characterization of [bpyr]4[V4O4Cl12] and [bpyr]4[Bi4Cl16] grown in Ionic Liquid [bpyr][AlCl4] (bpyr = 1-Butylpyridinium)","Crystal Growth & Design","2009","9","3","1385","","10.1021/cg800625w","","","0.71073","MoKα","","0.107","0.0834","","","0.1821","0.1939","","","","","","1.228","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511059","10.9179","0.0019","11.249","0.002","13.304","0.002","109.46","0.003","94.883","0.003","101.055","0.003","1492.3","0.4","170","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Bi4 Cl16 N4 -","- C36 H56 Bi4 Cl16 N4 -","- C36 H56 Bi4 Cl16 N4 -","1","0.5","","Mahjoor, Parisa; Latturner, Susan E.","Synthesis and Structural Characterization of [bpyr]4[V4O4Cl12] and [bpyr]4[Bi4Cl16] grown in Ionic Liquid [bpyr][AlCl4] (bpyr = 1-Butylpyridinium)","Crystal Growth & Design","2009","9","3","1385","","10.1021/cg800625w","","","0.71073","MoKα","","0.1602","0.1008","","","0.144","0.1607","","","","","","1.143","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511060","32.771","0.002","9.4505","0.0006","17.5068","0.0011","90","","106.474","0.001","90","","5199.3","0.6","170","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Cl12 N4 O4 V4 -","- C36 H56 Cl12 N4 O4 V4 -","- C144 H224 Cl48 N16 O16 V16 -","4","0.5","","Mahjoor, Parisa; Latturner, Susan E.","Synthesis and Structural Characterization of [bpyr]4[V4O4Cl12] and [bpyr]4[Bi4Cl16] grown in Ionic Liquid [bpyr][AlCl4] (bpyr = 1-Butylpyridinium)","Crystal Growth & Design","2009","9","3","1385","","10.1021/cg800625w","","","0.71073","MoKα","","0.0887","0.0783","","","0.1789","0.1865","","","","","","1.209","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511061","40.507","0.003","22.03","0.0018","22.3662","0.0018","90","","116.686","0.002","90","","17833","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H45 Ag2 B2 F8 N S9 -","- C51 H45 Ag2 B2 F8 N S9 -","- C408 H360 Ag16 B16 F64 N8 S72 -","8","1","","Huang, Guo; Tsang, Chun-Kwan; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Flexible Thioether−Ag(I) Interactions for Assembling Large Organic Ligands into Crystalline Networks","Crystal Growth & Design","2009","9","3","1444","","10.1021/cg800869u","","","0.71073","MoKα","","0.067","0.0542","","","0.1462","0.1542","","","","","","1.037","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511062","34.231","0.005","21.783","0.005","18.171","0.003","90","","94.452","0.004","90","","13508","4","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C149.75 H111.75 Ag2 F6 N5.5 O8.25 S14 Zn -","- C149.714 H111.714 Ag2 F6 N5.625 O8.25 S14 Zn -","- C598.856 H446.856 Ag8 F24 N22.5 O33 S56 Zn4 -","4","1","","Huang, Guo; Tsang, Chun-Kwan; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Flexible Thioether−Ag(I) Interactions for Assembling Large Organic Ligands into Crystalline Networks","Crystal Growth & Design","2009","9","3","1444","","10.1021/cg800869u","","","0.71073","MoKα","","0.0761","0.0643","","","0.164","0.1716","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511063","13.0479","0.0009","19.1477","0.0014","19.9355","0.0014","73.216","0.001","84.32","0.001","73.012","0.001","4559.8","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H120 Ag5 F12 N4 O22 S16 -","- C148 H120 Ag5 F12 N4 O22 S16 -","- C148 H120 Ag5 F12 N4 O22 S16 -","1","0.5","","Huang, Guo; Tsang, Chun-Kwan; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Flexible Thioether−Ag(I) Interactions for Assembling Large Organic Ligands into Crystalline Networks","Crystal Growth & Design","2009","9","3","1444","","10.1021/cg800869u","","","0.71073","MoKα","","0.1162","0.0955","","","0.2768","0.2964","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511064","20.033","0.005","13.645","0.003","13.199","0.003","90","","90","","90","","3608","1.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 Cd N3 O6 -","- C10 H9 Cd N3 O6 -","- C80 H72 Cd8 N24 O48 -","8","1","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0975","0.087","","","0.1631","0.1683","","","","","","1","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511065","13.8332","0.0007","21.6436","0.001","12.125","0.0006","90","","90","","90","","3630.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H42 N12 O31 Zn4 -","- C50 H42 N12 O31 Zn4 -","- C100 H84 N24 O62 Zn8 -","2","0.5","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0626","0.0532","","","0.1388","0.1443","","","","","","1.008","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511066","13.2087","0.0015","13.0913","0.0015","26.916","0.003","90","","90","","90","","4654.3","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H7 Cd N2 O5 -","- C12 H7 Cd N2 O5 -","- C96 H56 Cd8 N16 O40 -","8","1","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0751","0.0625","","","0.1658","0.1763","","","","","","1.005","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511067","7.577","0.0014","27.32","0.005","15.071","0.003","90","","90","","90","","3119.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cd2 N5 O12 -","- C27 H21 Cd2 N5 O12 -","- C108 H84 Cd8 N20 O48 -","4","1","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0658","0.0571","","","0.1452","0.1546","","","","","","1.009","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511068","18.8138","0.0013","11.1016","0.0008","12.0169","0.0009","90","","115.213","0.001","90","","2270.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Mn N3 O5 -","- C10 H9 Mn N3 O5 -","- C80 H72 Mn8 N24 O40 -","8","1","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0754","0.0675","","","0.1684","0.1746","","","","","","1.008","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511069","21.632","0.004","14.084","0.003","25.794","0.005","90","","106.27","0.03","90","","7544","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H69 N12 O27 Zn4 -","- C63 H69 N12 O27 Zn4 -","- C252 H276 N48 O108 Zn16 -","4","1","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0987","0.0638","","","0.1363","0.1548","","","","","","1.001","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511070","18.4306","0.0011","7.4334","0.0004","19.4377","0.0011","90","","100.969","0.001","90","","2614.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 F I N2 -","- C13 H14 F I N2 -","- C104 H112 F8 I8 N16 -","8","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0226","0.0203","","","0.0485","0.0493","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511071","7.4705","0.0006","9.3362","0.0008","9.9254","0.0008","74.868","0.002","84.318","0.002","79.366","0.002","655.84","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 F I N2 -","- C13 H14 F I N2 -","- C26 H28 F2 I2 N4 -","2","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0219","0.0204","","","0.0489","0.0495","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511072","7.4895","0.0011","9.3656","0.0014","10.0318","0.0015","74.764","0.003","83.924","0.003","80.121","0.003","667.5","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F2 I N2 -","- C13 H13 F2 I N2 -","- C26 H26 F4 I2 N4 -","2","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0434","0.0349","","","0.0811","0.0851","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511073","11.7853","0.0008","7.4274","0.0005","15.4031","0.001","90","","102.438","0.001","90","","1316.65","0.15","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F2 I N2 -","- C13 H13 F2 I N2 -","- C52 H52 F8 I4 N8 -","4","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0218","0.0197","","","0.0453","0.0461","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511074","7.3822","0.0015","9.3693","0.0019","10.509","0.002","72.331","0.004","82.223","0.004","78.773","0.004","677.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 F3 I N2 -","- C13 H12 F3 I N2 -","- C26 H24 F6 I2 N4 -","2","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0544","0.0499","","","0.1272","0.1318","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511075","6.3618","0.0004","28.1396","0.0016","7.4581","0.0004","90","","91.764","0.001","90","","1334.51","0.13","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 I N2 -","- C13 H12 F3 I N2 -","- C52 H48 F12 I4 N8 -","4","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0369","0.0298","","","0.0591","0.0611","","","","","","1.117","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511076","12.2811","0.0008","9.7381","0.0007","11.4959","0.0008","90","","93.78","0.001","90","","1371.86","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F4 I N2 -","- C13 H11 F4 I N2 -","- C52 H44 F16 I4 N8 -","4","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0345","0.0276","","","0.0597","0.0618","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511077","9.694","0.002","11.871","0.003","11.958","0.003","90","","93.404","0.005","90","","1373.7","0.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F5 I N2 -","- C13 H10 F5 I N2 -","- C52 H40 F20 I4 N8 -","4","1","","Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","Halogen-Bonded Cocrystals of 4-(N,N-Dimethylamino)pyridine with Fluorinated Iodobenzenes","Crystal Growth & Design","2009","9","12","5319","","10.1021/cg900823d","","","0.71073","MoKα","","0.0525","0.0464","","","0.1191","0.1252","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511078","8.2971","0.0015","10.3056","0.0019","13.077","0.002","99.905","0.005","99.603","0.005","104.396","0.005","1040.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 N2 O16 -","- C46 H30 N2 O18 -","- C46 H30 N2 O18 -","1","0.5","","Roy, Sandipan; Mahata, Goutam; Biradha, Kumar","Cocrystal and Salts of 2,2′,6,6′-Tetracarboxybiphenyl with Bis(pyridyl) Derivatives: Eight-fold Interpenetrated Diamondoid and Layered Networks","Crystal Growth & Design","2009","9","12","5006","","10.1021/cg901132g","","","0.71073","MoKα","","0.0677","0.0532","","","0.1496","0.163","","","","","","0.802","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511079","10.5299","0.0015","16.484","0.002","20.026","0.003","90","","92.652","0.004","90","","3472.3","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N4 O8 -","- C40 H30 N4 O8 -","- C160 H120 N16 O32 -","4","0.5","","Roy, Sandipan; Mahata, Goutam; Biradha, Kumar","Cocrystal and Salts of 2,2′,6,6′-Tetracarboxybiphenyl with Bis(pyridyl) Derivatives: Eight-fold Interpenetrated Diamondoid and Layered Networks","Crystal Growth & Design","2009","9","12","5006","","10.1021/cg901132g","","","0.71073","MoKα","","0.1226","0.0604","","","0.1361","0.1695","","","","","","0.996","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511080","8.2046","0.0004","13.0131","0.0006","13.1983","0.0006","65.624","0.001","74.404","0.001","72.316","0.001","1206.05","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O9 -","- C27 H18 N2 O9 -","- C54 H36 N4 O18 -","2","1","","Roy, Sandipan; Mahata, Goutam; Biradha, Kumar","Cocrystal and Salts of 2,2′,6,6′-Tetracarboxybiphenyl with Bis(pyridyl) Derivatives: Eight-fold Interpenetrated Diamondoid and Layered Networks","Crystal Growth & Design","2009","9","12","5006","","10.1021/cg901132g","","","0.71073","MoKα","","0.0803","0.057","","","0.1736","0.1886","","","","","","1.069","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511081","17.7031","0.0011","8.3828","0.0005","17.4031","0.0011","90","","108.626","0.002","90","","2447.4","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H22 N2 O10 -","- C26 H22 N2 O10 -","- C104 H88 N8 O40 -","4","1","","Roy, Sandipan; Mahata, Goutam; Biradha, Kumar","Cocrystal and Salts of 2,2′,6,6′-Tetracarboxybiphenyl with Bis(pyridyl) Derivatives: Eight-fold Interpenetrated Diamondoid and Layered Networks","Crystal Growth & Design","2009","9","12","5006","","10.1021/cg901132g","","","0.71073","MoKα","","0.0399","0.036","","","0.0958","0.0986","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511082","12.6784","0.0004","12.9302","0.0004","15.1054","0.0005","75.356","0.001","71.286","0.001","63.366","0.001","2079.06","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H72 N6 O36 -","- C94 H68 N6 O36 -","- C94 H68 N6 O36 -","1","0.5","","Roy, Sandipan; Mahata, Goutam; Biradha, Kumar","Cocrystal and Salts of 2,2′,6,6′-Tetracarboxybiphenyl with Bis(pyridyl) Derivatives: Eight-fold Interpenetrated Diamondoid and Layered Networks","Crystal Growth & Design","2009","9","12","5006","","10.1021/cg901132g","","","0.71073","MoKα","","0.0783","0.0495","","","0.1487","0.165","","","","","","1.077","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511083","22.242","0.003","8.921","0.001","14.367","0.002","90","","104.07","0.01","90","","2765.2","0.6","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","2","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","0.71073","MoKα","","0.1003","0.0513","","","0.1186","0.1415","","","","","","1.012","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511084","14.2726","0.0004","8.647","0.0003","21.3133","0.0008","90","","95.9812","0.0014","90","","2616.07","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","2","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","0.71073","MoKα","","0.1154","0.0544","","","0.1265","0.1541","","","","","","0.961","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511085","7.5301","0.0002","7.5301","0.0002","20.6215","0.001","90","","90","","120","","1012.63","0.06","90","2","90","2","","","","","","","","4","P 32","P 32","145","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C45 H48 N6 O6 -","3","1","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","0.71073","MoKα","","0.1032","0.0554","","","0.1264","0.1484","","","","","","0.986","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511086","9.2035","0.0003","14.083","0.0004","10.6939","0.0004","90","","100.741","0.0012","90","","1361.78","0.08","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Long, Sihui; Li, Tonglei","Controlled Formation of the Acid−Pyridine Heterosynthon over the Acid−Acid Homosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2009","9","12","4993","","10.1021/cg900786b","","","0.71073","MoKα","","0.0893","0.052","","","0.1268","0.1449","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511087","11.365","0.003","6.822","0.002","17.733","0.002","90","","90.62","0.04","90","","1374.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Al2 O12 -","- C10 H2 Al2 O12 -","- C40 H8 Al8 O48 -","4","0.5","","Volkringer, Christophe; Loiseau, Thierry; Guillou, Nathalie; Férey, Gérard; Haouas, Mohamed; Taulelle, Francis; Audebrand, Nathalie; Margiolaki, Irene; Popov, Dmitry; Burghammer, Manfred; Riekel, Christian","Structural Transitions and Flexibility during Dehydration−Rehydration Process in the MOF-type Aluminum Pyromellitate Al2(OH)2[C10O8H2] (MIL-118)","Crystal Growth & Design","2009","9","6","2927","","10.1021/cg900276g","","","0.9613","synchrotron","","0.1227","0.1127","","","0.271","0.278","","","","","","1.771","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511088","11.358","0.006","19.431","0.007","15.965","0.007","90","","127.31","0.02","90","","2802","2","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Br2 N2 -","- C35 H24 Br2 N2 -","- C140 H96 Br8 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","","0.71073","MoKα","","","0.045","","","","0.048","","","","","","1.32","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511089","10.376","0.005","10.617","0.005","15.919","0.007","106.05","0.02","100.82","0.03","91.99","0.03","1648.4","1.4","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Br2 Cl4 N2 -","- C36 H24 Br2 Cl4 N2 -","- C72 H48 Br4 Cl8 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","","0.71073","MoKα","","","0.049","","","","0.062","","","","","","1.84","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511090","10.257","0.003","10.44","0.004","15.873","0.004","72.66","0.02","79.43","0.02","89.44","0.02","1593.1","0.9","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 Br4 N2 -","- C36 H26 Br4 N2 -","- C72 H52 Br8 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","","0.71073","MoKα","","","0.065","","","","0.08","","","","","","1.72","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511091","10.153","0.005","10.402","0.006","15.813","0.008","106.71","0.02","100.73","0.03","90.45","0.02","1568.2","1.5","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Br2 Cl2 N2 -","- C36 H26 Br2 Cl2 N2 -","- C72 H52 Br4 Cl4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","x-ray","0.71073","MoKα","","","0.047","","","","0.057","","","","","","1.66","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511092","10.03","0.006","10.543","0.006","15.731","0.008","105.57","0.03","100.43","0.02","95.12","0.02","1559.2","1.5","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Br2 N2 O -","- C37 H28 Br2 N2 O -","- C74 H56 Br4 N4 O2 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","x-ray","0.71073","MoKα","","","0.078","","","","0.094","","","","","","1.68","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511093","10.416","0.005","10.562","0.005","15.924","0.007","105.27","0.03","99.76","0.03","92.33","0.03","1658.8","1.4","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 Br2 Cl3 N2 -","- C37 H27 Br2 Cl3 N2 -","- C74 H54 Br4 Cl6 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","x-ray","0.71073","MoKα","","","0.073","","","","0.084","","","","","","1.7","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511094","14.833","0.004","14.376","0.004","31.535","0.008","90","","95.28","0.02","90","","6696","3","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 Br2 N2 O2 -","- C39 H34 Br2 N2 O2 -","- C312 H272 Br16 N16 O16 -","8","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","x-ray","0.71073","MoKα","","","0.048","","","","0.07","","","","","","1.81","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511095","10.126","0.004","10.458","0.004","15.838","0.005","90.3","0.03","90.04","0.03","90.42","0.03","1677.1","1.1","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H29 Br2 Cl N2 -","- C41 H29 Br2 Cl N2 -","- C82 H58 Br4 Cl2 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","x-ray","0.71073","MoKα","","","0.093","","","","0.114","","","","","","1.94","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511096","10.033","0.005","10.55","0.006","16.886","0.008","100.35","0.03","92.45","0.02","95.27","0.02","1747.6","1.6","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Br2 F3 N2 -","- C42 H29 Br2 F3 N2 -","- C84 H58 Br4 F6 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","","0.71073","MoKα","","","0.059","","","","0.062","","","","","","1.53","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511097","9.98","0.003","10.557","0.004","16.715","0.005","100.79","0.02","93.84","0.02","94.17","0.02","1719.5","1","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H32 Br2 N2 -","- C42 H29 Br2 N2 -","- C84 H58 Br4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","","0.71073","MoKα","","","0.056","","","","0.067","","","","","","1.87","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511098","9.995","0.005","10.525","0.005","15.788","0.006","104.28","0.02","100.14","0.03","97.21","0.03","1559.4","1.3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Br2 N2 S2 -","- C36 H24 Br2 N2 S2 -","- C72 H48 Br4 N4 S4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Formation of Diquinoline Molecular Bricks and Their Assembly into Lattice Inclusion Compounds","Crystal Growth & Design","2009","9","6","2742","","10.1021/cg801377e","","","0.71073","MoKα","","","0.045","","","","0.051","","","","","","1.48","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511099","10.689","0.002","11.221","0.002","21.392","0.004","90","","93.74","0.03","90","","2560.3","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","((R)-1-phenylethylammonium)2× (naphthalene-1,5-disulfonate)","","- C26 H30 N2 O6 S2 -","- C26 H30 N2 O6 S2 -","- C104 H120 N8 O24 S8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Centrosymmetric and NoncentrosymmetricR44(12) Rings As Primary Motifs in Salts of Sulfonate Anions and Chiral Primary Ammonium Cations: Their Occurrence in Hydrates, Nonhydrates, and the Zöllner Illusion","Crystal Growth & Design","2009","9","5","2265","","10.1021/cg8010585","","","0.71073","MoKα","","0.1108","0.0816","","","0.1851","0.1941","","","","","","1.239","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511100","7.0769","0.0006","9.5083","0.0008","12.3146","0.0007","102.361","0.006","95.785","0.005","94.597","0.007","800.89","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 Mn2 O14 -","- C10 H20 Mn2 O14 -","- C20 H40 Mn4 O28 -","2","1","","Wang, Jing; Ou, Yong-Cong; Shen, Yong; Yun, Lei; Leng, Ji-Dong; Lin, Zhuojia; Tong, Ming-Liang","Coordination Chemistry of Cyclohexane-1,2,4,5-tetracarboxylate (H4L). Synthesis, Structure, and Magnetic Properties of Metal-Organic Frameworks with Conformation-Flexible H4L Ligand","Crystal Growth & Design","2009","9","5","2442","","10.1021/cg801348n","","","0.71073","MoKα","","0.0614","0.0341","","","0.0615","0.0659","","","","","","0.849","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511101","7.6071","0.0002","14.6486","0.0003","11.1213","0.0002","90","","90","","90","","1239.28","0.05","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H12 Mn2 O10 -","- C10 H12 Mn2 O10 -","- C40 H48 Mn8 O40 -","4","0.5","","Wang, Jing; Ou, Yong-Cong; Shen, Yong; Yun, Lei; Leng, Ji-Dong; Lin, Zhuojia; Tong, Ming-Liang","Coordination Chemistry of Cyclohexane-1,2,4,5-tetracarboxylate (H4L). Synthesis, Structure, and Magnetic Properties of Metal-Organic Frameworks with Conformation-Flexible H4L Ligand","Crystal Growth & Design","2009","9","5","2442","","10.1021/cg801348n","","","1.54178","CuKα","","0.154","0.1302","","","0.3195","0.3386","","","","","","1.071","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511102","6.4745","0.0009","25.905","0.003","8.189","0.0011","90","","90.422","0.003","90","","1373.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Mn2 O11 -","- C10 H14 Mn2 O11 -","- C40 H56 Mn8 O44 -","4","1","","Wang, Jing; Ou, Yong-Cong; Shen, Yong; Yun, Lei; Leng, Ji-Dong; Lin, Zhuojia; Tong, Ming-Liang","Coordination Chemistry of Cyclohexane-1,2,4,5-tetracarboxylate (H4L). Synthesis, Structure, and Magnetic Properties of Metal-Organic Frameworks with Conformation-Flexible H4L Ligand","Crystal Growth & Design","2009","9","5","2442","","10.1021/cg801348n","","","0.71073","MoKα","","0.0917","0.0734","","","0.1375","0.1443","","","","","","1.165","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511103","12.348","0.007","13.308","0.008","15.115","0.007","70.9","0.05","87.04","0.04","78.51","0.05","2300","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Ag4 N6 O18 -","- C40 H52 Ag4 N6 O18 -","- C80 H104 Ag8 N12 O36 -","2","1","","Wang, Jing; Ou, Yong-Cong; Shen, Yong; Yun, Lei; Leng, Ji-Dong; Lin, Zhuojia; Tong, Ming-Liang","Coordination Chemistry of Cyclohexane-1,2,4,5-tetracarboxylate (H4L). Synthesis, Structure, and Magnetic Properties of Metal-Organic Frameworks with Conformation-Flexible H4L Ligand","Crystal Growth & Design","2009","9","5","2442","","10.1021/cg801348n","","","1.54178","CuKα","","0.0616","0.0465","","","0.115","0.1208","","","","","","0.985","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511104","15.9394","0.0004","15.9394","0.0004","6.0101","0.0003","90","","90","","90","","1526.95","0.09","293","2","293","2","","","","","","","","6","P 4","P 4","75","","","","- C26 H27 Cl N10 O8 Zn2 -","- C26 H27 Cl N10 O8 Zn2 -","- C52 H54 Cl2 N20 O16 Zn4 -","2","0.5","","Hang, Tian; Fu, Da-Wei; Ye, Qiong; Ye, Heng-Yun; Xiong, Ren-Gen; Huang, Songping D.","Tanklike Metal−Organic Framework Filled with Perchloric Acid and Its Dielectric−Ferroelectric Properties","Crystal Growth & Design","2009","9","5","2054","","10.1021/cg900100w","","","0.71073","MoKα","","0.0475","0.0375","","","0.0827","0.0857","","","","","","0.75","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511105","15.9503","0.0013","15.9503","0.0013","6.0016","0.0007","90","","90","","90","","1526.9","0.3","293","2","293","2","","","","","","","","7","P 4","P 4","75","","","","- C26 H26 Cl D N10 O8 Zn2 -","- C26 H26 Cl D N10 O8 Zn2 -","- C52 H52 Cl2 D2 N20 O16 Zn4 -","2","0.5","","Hang, Tian; Fu, Da-Wei; Ye, Qiong; Ye, Heng-Yun; Xiong, Ren-Gen; Huang, Songping D.","Tanklike Metal−Organic Framework Filled with Perchloric Acid and Its Dielectric−Ferroelectric Properties","Crystal Growth & Design","2009","9","5","2054","","10.1021/cg900100w","","","0.71073","MoKα","","0.063","0.0494","","","0.0859","0.0886","","","","","","1.085","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511106","16.596","0.006","9.602","0.004","24.775","0.011","90","","91.26","0.03","90","","3947","3","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C65 H52 N2 O27 S24 -","- C65 H36 N2 O27 S24 -","- C130 H72 N4 O54 S48 -","2","0.5","","Minemawari, Hiromi; Naito, Toshio; Inabe, Tamotsu","Control of Molecular Packing in the ET Based Conductor by Supramolecular Mellitate Networks (ET = Bis(ethylenedithio)tetrathiafulvalene)","Crystal Growth & Design","2009","9","11","4830","","10.1021/cg900655v","","","0.71075","MoKα","","","0.05","","","","0.133","","","","","","0.867","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511107","5.7518","0.0005","15.3395","0.0012","11.9495","0.001","90","","92.54","0.001","90","","1053.27","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{dipic[Cu(II)H2O]}[0.5(py)](H2O)","","","- C18 H18 Cu2 N4 O12 -","- C18 H18 Cu2 N4 O12 -","- C36 H36 Cu4 N8 O24 -","2","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.0299","0.0263","","","0.0741","0.0763","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511108","7.81","0.002","7.316","0.002","16.644","0.004","90","","92.087","0.004","90","","950.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2[Cu(II)(H2O)(pic)](pyrazine)","mu-pyrazine bis[(dipicolinato) aqua copper(II)]","","- C18 H14 Cu2 N4 O10 -","- C18 H14 Cu2 N4 O10 -","- C36 H28 Cu4 N8 O20 -","2","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.0919","0.0412","","","0.0657","0.0747","","","","","","0.822","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511109","10.652","0.002","10.765","0.002","18.69","0.004","84.13","0.03","86.84","0.03","62.61","0.03","1892.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","3[Cu(II)(dipic)(H2O)][1.5(4.4-bipy)][0.75(MeOH)][2(H2O)]","mu-bipyridine bis[aqua(dipicolinato) Copper(II)] methanol water adduct 1:0.75:5","","- C36.75 H34 Cu3 N6 O17.75 -","- C36.75 H21 Cu3 N6 O17.75 -","- C73.5 H42 Cu6 N12 O35.5 -","2","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.1651","0.0969","","","0.2076","0.2668","","","","","","1.198","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4511110","15.9467","0.0012","5.6327","0.0004","16.6869","0.0013","90","","111.075","0.002","90","","1398.61","0.18","150","2","150","2","","","","","","","diffusion of H2O layered on CH2Cl2","6","P 1 21 1","P 2yb","4","{2[Cu(II)(dipic)](4,4-bipy)}(CH2Cl2) 2(H2O)","mu-bipyridine bis[(dipicolinato) copper (II)] dichloromethane water adduct 1:1:2","","- C25 H20 Cl2 Cu2 N4 O10 -","- C25 H14 Cl2 Cu2 N4 O10 -","- C50 H28 Cl4 Cu4 N8 O20 -","2","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.0669","0.0571","","0.1752","0.1635","","","","1.067","1.075","1.075","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511111","7.2105","0.0014","10.689","0.002","18.039","0.004","87.67","0.03","86.66","0.03","71.16","0.03","1313.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","[Cu(II)(H2O)(dipic)(bpe)] 3(H2O)","","","- C26 H22 Cu2 N4 O12 -","- C26 H22 Cu2 N4 O12 -","- C52 H44 Cu4 N8 O24 -","2","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.0803","0.047","","","0.1131","0.1264","","","","","","1.051","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511112","16.294","0.007","5.669","0.003","18.452","0.008","90","","113.542","0.007","90","","1562.6","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(II)(dipic)0.5(bpe)] (dcm)","","","- C13 H9 Cl2 Cu N3 O4 -","- C13 H7 Cl1.99 Cu N3 O4 -","- C52 H28 Cl7.96 Cu4 N12 O16 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.149","0.0949","","","0.2321","0.2656","","","","","","0.995","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4511113","15.4247","0.0011","6.2317","0.0004","16.9672","0.0012","90","","110.126","0.001","90","","1531.34","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[dipicolinate Cu(II)diazobipy] MeOH solvate","","","- C13 H11 Cu N3 O5 -","- C13 H7 Cu N3 O5 -","- C52 H28 Cu4 N12 O20 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.0482","0.0418","","","0.1142","0.1212","","","","","","1.07","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4511114","10.8029","0.0005","18.27","0.0007","7.2679","0.0003","90","","103.451","0.002","90","","1395.11","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(II)(H20)(dipic)][0.5(ttz)](H2O)","","","- C26 H22 Cu2 N8 O12 -","- C26 H22 Cu2 N8 O12 -","- C52 H44 Cu4 N16 O24 -","2","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.0742","0.0488","","","0.1232","0.1374","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511115","5.3171","0.0004","8.2913","0.0005","19.0302","0.0014","97.062","0.002","92.892","0.003","106.014","0.005","797.15","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","[Cu(II) dipicolinate longbpy MeOH]","","","- C18 H15 Cu N2 O5 -","- C18 H15 Cu N2 O5 -","- C36 H30 Cu2 N4 O10 -","2","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire; Schröder, Martin","Solvent Control of Supramolecular Architectures Derived from 4,4′-Bipyridyl-Bridged Copper(II) Dipicolinate Complexes","Crystal Growth & Design","2009","9","11","4685","","10.1021/cg900552b","","","0.71073","MoKα","","0.1702","0.0688","","","0.129","0.1673","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511116","10.35","0.002","13.54","0.005","27.867","0.007","90","","90","","90","","3905.3","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Co N4 O4 -","- C19 H20 Co N4 O4 -","- C152 H160 Co8 N32 O32 -","8","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71069","MoKα","","0.0565","0.037","","","0.084","0.091","","","","","","1.048","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511117","15.24","0.005","13.155","0.005","20.779","0.008","90","","102.406","0.007","90","","4069","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H44 Co2 N8 O10 -","- C38 H44 Co2 N8 O10 -","- C152 H176 Co8 N32 O40 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71073","MoKα","","0.1021","0.0904","","","0.2457","0.256","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511118","9.539","0.003","15.724","0.007","13.203","0.004","90","","90.414","0.011","90","","1980.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Co N4 O5 -","- C19 H20 Co N4 O5 -","- C76 H80 Co4 N16 O20 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71073","MoKα","","0.0763","0.0524","","","0.1286","0.1397","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511119","10.267","0.004","16.296","0.004","15.769","0.005","90","","96.032","0.013","90","","2623.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 Co N4 O8 -","- C21 H37 Co N4 O8 -","- C84 H148 Co4 N16 O32 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71069","MoKα","","0.1167","0.0781","","","0.1972","0.2204","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511120","11.908","0.005","10.756","0.003","14.131","0.005","90","","114.112","0.013","90","","1652","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Co N4 O4 -","- C15 H19 Co N4 O4 -","- C60 H76 Co4 N16 O16 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71073","MoKα","","0.0679","0.044","","","0.0915","0.1005","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511121","11.159","0.003","24.415","0.007","14.723","0.004","90","","96.91","0.03","90","","3982.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35.5 Co2 N8 O12.5 -","- C36 H34 Co2 N8 O12.5 -","- C144 H136 Co8 N32 O50 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71073","MoKα","","0.0848","0.0589","","","0.1671","0.1879","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511122","11.142","0.003","24.401","0.005","14.707","0.004","90","","96.871","0.01","90","","3969.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 N8 O13.5 Zn2 -","- C36 H38 N8 O13.5 Zn2 -","- C144 H152 N32 O54 Zn8 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71069","MoKα","","0.0995","0.0619","","","0.1587","0.1776","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511123","27.635","0.01","8.673","0.002","21.536","0.008","90","","125.347","0.013","90","","4210","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Cd N4 O7.5 -","- C18 H21 Cd N4 O7.5 -","- C144 H168 Cd8 N32 O60 -","8","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71069","MoKα","","0.0395","0.0281","","","0.0603","0.0644","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511124","29.511","0.008","12.05","0.003","13.908","0.004","90","","111.457","0.011","90","","4603","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H36 F6 N8 O11 Zn2 -","- C39 H30 F6 N8 O11 Zn2 -","- C156 H120 F24 N32 O44 Zn8 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71069","MoKα","","0.0975","0.0641","","","0.1656","0.1862","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511125","23.59","0.011","11.164","0.004","16.943","0.007","90","","132.018","0.014","90","","3315","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Cd N4 O6 -","- C15 H17 Cd N4 O6 -","- C120 H136 Cd8 N32 O48 -","8","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71073","MoKα","","0.0909","0.0741","","","0.2113","0.2179","","","","","","1.649","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511126","8.453","0.003","14.656","0.006","15.651","0.006","95.895","0.005","102.855","0.005","90.786","0.006","1879","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Cu5 N17 S5 -","- C29 H20 Cu5 N17 S5 -","- C58 H40 Cu10 N34 S10 -","2","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0996","0.0534","","","0.1065","0.1272","","","","","","1.038","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511127","9.6339","0.0009","14.4436","0.0013","10.0795","0.0009","90","","101.732","0.001","90","","1373.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N7 S -","- C13 H10 Cu N7 S -","- C52 H40 Cu4 N28 S4 -","4","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0333","0.0303","","","0.0776","0.0798","","","","","","1.048","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511128","5.7243","0.0007","17.842","0.002","9.1778","0.0011","90","","99.999","0.002","90","","923.12","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cu N6 S -","- C7 H5 Cu N6 S -","- C28 H20 Cu4 N24 S4 -","4","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0623","0.0401","","","0.0885","0.0977","","","","","","1.06","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511129","8.7767","0.0013","9.0022","0.0014","9.3592","0.0014","80.617","0.002","88.527","0.002","84.051","0.002","725.61","0.19","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cu2 N5 S2 -","- C14 H9 Cu2 N5 S2 -","- C28 H18 Cu4 N10 S4 -","2","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0365","0.0298","","","0.0675","0.0719","","","","","","1.06","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511130","5.891","0.0009","14.382","0.002","8.6385","0.0012","90","","95.156","0.002","90","","728.93","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Cu2 N5 S2 -","- C14 H9 Cu2 N5 S2 -","- C28 H18 Cu4 N10 S4 -","2","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0359","0.0312","","","0.0591","0.0621","","","","","","1.024","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511131","18.1048","0.0014","10.3065","0.0008","26.212","0.002","90","","90","","90","","4891.1","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cu2 N8 S2 -","- C26 H17 Cu2 N8 S2 -","- C208 H136 Cu16 N64 S16 -","8","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0975","0.0544","","","0.1202","0.1426","","","","","","1.056","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511132","8.3516","0.0001","16.4363","0.0002","16.7544","0.0002","90","","90","","90","","2299.87","0.05","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 O5 -","- C24 H40 O5 -","- C96 H160 O20 -","4","1","","Nonappa,; Lahtinen, Manu; Ikonen, Satu; Kolehmainen, Erkki; Kauppinen, Reijo","Solid-State NMR, X-ray Diffraction, and Thermoanalytical Studies Towards the Identification, Isolation, and Structural Characterization of Polymorphs in Natural Bile Acids","Crystal Growth & Design","2009","9","11","4710","","10.1021/cg9005828","","","0.71073","MoKα","","0.0477","0.0414","","","0.0916","0.095","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511133","12.156","0.0002","13.2178","0.0002","26.5954","0.0003","90","","90","","90","","4273.23","0.11","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 O4 -","- C24 H40 O4 -","- C192 H320 O32 -","8","2","","Nonappa,; Lahtinen, Manu; Ikonen, Satu; Kolehmainen, Erkki; Kauppinen, Reijo","Solid-State NMR, X-ray Diffraction, and Thermoanalytical Studies Towards the Identification, Isolation, and Structural Characterization of Polymorphs in Natural Bile Acids","Crystal Growth & Design","2009","9","11","4710","","10.1021/cg9005828","","","0.71073","MoKα","","0.0727","0.0586","","","0.1258","0.1325","","","","","","1.094","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511134","23.109","0.005","25.207","0.005","19.314","0.004","90","","95.53","0.03","90","","11198","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H153 Mo12 N6 O36.5 -","- C76 H153 Mo12 N6 O36.5 -","- C304 H612 Mo48 N24 O146 -","4","1","","Zhu, Yi; Wang, Longsheng; Hao, Jian; Xiao, Zicheng; Wei, Yongge; Wang, Yuan","Synthetic, Structural, Spectroscopic, Electrochemical Studies and Self-assembly of Nanoscale Polyoxometalate−Organic Hybrid Molecular Dumbbells","Crystal Growth & Design","2009","9","8","3509","","10.1021/cg9002516","","","0.71073","MoKα","","0.1363","0.0592","","","0.1408","0.1605","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511135","23.374","0.005","25.243","0.005","19.13","0.004","90","","96.3","0.03","90","","11219","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H156 Mo12 N6 O36 -","- C78 H156 Mo12 N6 O36 -","- C312 H624 Mo48 N24 O144 -","4","1","","Zhu, Yi; Wang, Longsheng; Hao, Jian; Xiao, Zicheng; Wei, Yongge; Wang, Yuan","Synthetic, Structural, Spectroscopic, Electrochemical Studies and Self-assembly of Nanoscale Polyoxometalate−Organic Hybrid Molecular Dumbbells","Crystal Growth & Design","2009","9","8","3509","","10.1021/cg9002516","","","0.71073","MoKα","","0.1454","0.0655","","","0.1686","0.1941","","","","","","1.234","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511136","10.605","0.004","10.783","0.004","19.199","0.008","90","","94.543","0.005","90","","2188.6","1.5","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C104 H128 O24 -","4","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Pseudopolymorph and Charge-Transfer Co-Crystal of Disubstituted Adamantane containing Dimethoxyphenol Moieties","Crystal Growth & Design","2009","9","8","3692","","10.1021/cg900404h","","","0.71073","MoKα","","0.0476","0.038","","","0.1164","0.1274","","","","","","0.884","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511137","15.015","0.002","21.454","0.003","9.6703","0.0014","90","","110.752","0.002","90","","2913","0.7","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 O7 -","- C32 H38 O7 -","- C128 H152 O28 -","4","0.5","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Pseudopolymorph and Charge-Transfer Co-Crystal of Disubstituted Adamantane containing Dimethoxyphenol Moieties","Crystal Growth & Design","2009","9","8","3692","","10.1021/cg900404h","","","0.71073","MoKα","","0.0531","0.0475","","","0.1688","0.176","","","","","","1.384","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511138","6.609","0.004","15.325","0.008","15.669","0.008","74.058","0.005","79.495","0.006","88.624","0.006","1499.8","1.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 N3 O12 -","- C32 H35 N3 O12 -","- C64 H70 N6 O24 -","2","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Pseudopolymorph and Charge-Transfer Co-Crystal of Disubstituted Adamantane containing Dimethoxyphenol Moieties","Crystal Growth & Design","2009","9","8","3692","","10.1021/cg900404h","","","0.71073","MoKα","","0.0455","0.0395","","","0.1291","0.1379","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511139","10.89","0.001","10.8796","0.001","13.672","0.0013","90","","108.386","0.002","90","","1537.2","0.2","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H11 Cu N2 O4 -","- C17 H11 Cu N2 O4 -","- C68 H44 Cu4 N8 O16 -","4","1","","Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng","Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons","Crystal Growth & Design","2009","9","8","3581","","10.1021/cg900317d","","","0.71073","MoKα","","0.0558","0.0414","","","0.0988","0.1058","","","","","","0.81","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511140","9.0054","0.0008","20.5792","0.0017","13.5181","0.0011","90","","99.438","0.002","90","","2471.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 Cu3 N8 O15 -","- C54 H34 Cu3 N8 O15 -","- C108 H68 Cu6 N16 O30 -","2","0.5","","Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng","Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons","Crystal Growth & Design","2009","9","8","3581","","10.1021/cg900317d","","","0.71073","MoKα","","0.0624","0.0496","","","0.1296","0.1399","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511141","9.2568","0.0008","20.6467","0.0016","13.8233","0.0011","90","","101.688","0.002","90","","2587.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Mn3 N8 O18 -","- C54 H46 Mn3 N8 O18 -","- C108 H92 Mn6 N16 O36 -","2","0.5","","Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng","Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons","Crystal Growth & Design","2009","9","8","3581","","10.1021/cg900317d","","","0.71073","MoKα","","0.083","0.0541","","","0.1153","0.1235","","","","","","0.94","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511142","9.1277","0.0009","20.548","0.002","13.6011","0.0014","90","","101.689","0.002","90","","2498.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Co3 N8 O18 -","- C54 H46 Co3 N8 O18 -","- C108 H92 Co6 N16 O36 -","2","0.5","","Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng","Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons","Crystal Growth & Design","2009","9","8","3581","","10.1021/cg900317d","","","0.71073","MoKα","","0.0828","0.0556","","","0.1163","0.1251","","","","","","1.002","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511143","9.347","0.0007","20.8071","0.0015","13.9123","0.001","90","","101.579","0.001","90","","2650.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Cd3 N8 O18 -","- C54 H46 Cd3 N8 O18 -","- C108 H92 Cd6 N16 O36 -","2","0.5","","Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng","Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons","Crystal Growth & Design","2009","9","8","3581","","10.1021/cg900317d","","","0.71073","MoKα","","0.0641","0.0417","","","0.0714","0.075","","","","","","0.938","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511144","9.2397","0.0011","10.3411","0.0012","12.6811","0.0015","83.979","0.002","85.655","0.002","77.199","0.002","1173.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N4 O6 -","- C27 H18 Cd N4 O6 -","- C54 H36 Cd2 N8 O12 -","2","1","","Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng","Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons","Crystal Growth & Design","2009","9","8","3581","","10.1021/cg900317d","","","0.71073","MoKα","","0.0805","0.0491","","","0.0788","0.0873","","","","","","0.876","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511145","12.513","0.007","23.372","0.013","24.435","0.014","93.418","0.008","92.046","0.008","99.113","0.007","7036","7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H222 Mo12 N9 O40 Si -","- C103 Mo12 N9 O40 Si -","- C206 Mo24 N18 O80 Si2 -","2","1","","Nyman, May; Rodriguez, Mark A.; Anderson, Travis M.; Ingersoll, David","Two Structures Toward Understanding Evolution from Surfactant-Polyoxometalate Lamellae to Surfactant-Encapsulated Polyoxometalates","Crystal Growth & Design","2009","9","8","3590","","10.1021/cg9003356","","","0.71073","MoKα","","0.2408","0.1241","","","0.2856","0.3543","","","","","","1.017","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511146","14.784","0.0007","16.81","0.0008","18.997","0.001","90","","90","","90","","4721.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N8 O12 Zn2 -","- C44 H34 N8 O12 Zn2 -","- C176 H136 N32 O48 Zn8 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Qin, Jun-Sheng; Ma, Jian-Fang; Liu, Jie; Yang, Jin","Assembly of 3D Metal-Organic Frameworks Based on Different Helical Units: Chiral and Achiral Structures Constructed by Length-Modulated N-Donor Ligands","Crystal Growth & Design","2009","9","9","4142","","10.1021/cg900371k","","","0.71069","MoKα","","0.0771","0.0571","","","0.1454","0.1594","","","","","","0.996","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511147","18.688","0.0011","13.417","0.0014","19.416","0.0015","90","","90","","90","","4868.3","0.7","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C56 H42 N8 O9 Zn2 -","- C56 H42 N8 O9 Zn2 -","- C224 H168 N32 O36 Zn8 -","4","0.5","","Li, Shun-Li; Lan, Ya-Qian; Qin, Jun-Sheng; Ma, Jian-Fang; Liu, Jie; Yang, Jin","Assembly of 3D Metal-Organic Frameworks Based on Different Helical Units: Chiral and Achiral Structures Constructed by Length-Modulated N-Donor Ligands","Crystal Growth & Design","2009","9","9","4142","","10.1021/cg900371k","","","0.71069","MoKα","","0.0794","0.0419","","","0.1026","0.1238","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511148","8.5223","0.0009","17.157","0.0019","10.5244","0.0011","90","","90","","90","","1538.8","0.3","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 O7 S Zn -","- C8 H18 N6 O7 S Zn -","- C32 H72 N24 O28 S4 Zn4 -","4","0.5","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.71073","MoKα","","0.0294","0.0285","","","0.0762","0.0767","","","","","","1.083","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511149","10.9909","0.0017","16.42","0.002","15.714","0.002","90","","105.064","0.004","90","","2738.5","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N14 O10 Zn -","- C16 H32 N14 O10 Zn -","- C64 H128 N56 O40 Zn4 -","4","1","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.71073","MoKα","","0.0365","0.0323","","","0.0912","0.0949","","","","","","1.052","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511150","10.894","0.002","10.894","0.002","8.4503","0.0016","90","","90","","120","","868.5","0.3","153","2","153","2","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","1","0.166667","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.71073","MoKα","","0.0435","0.0421","","","0.1024","0.1032","","","","","","1.083","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511151","18.923","0.0017","18.923","0.0017","25.307","0.002","90","","90","","120","","7847.9","1.2","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H36 Cl2 N18 O8 Zn -","- C24 H36 Cl2 N18 O8 Zn -","- C216 H324 Cl18 N162 O72 Zn9 -","9","0.5","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.7107","MoKα","","0.0584","0.0524","","","0.1541","0.1592","","","","","","1.095","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511152","9.3644","0.0019","10.929","0.003","12.025","0.003","105.566","0.003","94.993","0.003","107.268","0.003","1113.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N6 O9 Zn -","- C16 H16 N6 O9 Zn -","- C32 H32 N12 O18 Zn2 -","2","1","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.7107","MoKα","","0.0486","0.0463","","","0.1236","0.1257","","","","","","1.08","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511153","9.5864","0.0018","10.2309","0.0018","14.952","0.003","97.849","0.003","106.2","0.004","101.286","0.003","1352.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 N18 O20 Zn3 -","- C42 H58 N18 O20 Zn3 -","- C42 H58 N18 O20 Zn3 -","1","0.5","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.7107","MoKα","","0.083","0.061","","","0.135","0.1481","","","","","","1.091","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511154","8.6296","0.0018","9.608","0.002","14.497","0.003","90","","93.097","0.005","90","","1200.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N6 O12 Zn2 -","- C18 H22 N6 O12 Zn2 -","- C36 H44 N12 O24 Zn4 -","2","0.5","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.71073","MoKα","","0.0669","0.0549","","","0.1287","0.1363","","","","","","1.124","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511155","8.0067","0.0017","9.8939","0.0019","14.203","0.003","76.76","0.008","83.927","0.009","79.662","0.009","1075","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N12 O20 Zn -","- C36 H42 N12 O20 Zn -","- C36 H42 N12 O20 Zn -","1","0.5","","Liu, Xun-Gao; Wang, Li-Yan; Zhu, Xia; Li, Bao-Long; Zhang, Yong","Structural Versatility of Eight Zinc(II) Coordination Polymers Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane","Crystal Growth & Design","2009","9","9","3997","","10.1021/cg900134f","","","0.7107","MoKα","","0.0312","0.0294","","","0.0743","0.0755","","","","","","1.024","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511156","31.4115","0.0019","11.5964","0.0007","23.1449","0.0015","90","","112.003","0.001","90","","7816.7","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H92 Cu2 Mn3 N38 O10 -","- C52 H92 Cu2 Mn3 N38 O10 -","- C208 H368 Cu8 Mn12 N152 O40 -","4","0.5","","Suárez-Varela, José; Moreno, José María; Maimoun, Ikram Ben; Lloret, Francesc; Mrozinski, Jerzy; Kivekäs, Raikko; Colacio, Enrique","Novel Bimetallic-Dicyanamide Extended Two- and Three-Dimensional Networks through [Cu(rac-CTH)]2+Cation Templation","Crystal Growth & Design","2009","9","9","4102","","10.1021/cg9003438","","","0.71073","MoKα","","0.0983","0.0563","","","0.1263","0.1476","","","","","","0.904","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511157","8.772","0.0007","12.5373","0.0011","14.2431","0.0012","90","","99.244","0.002","90","","1546.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H72 Cu2 Mn2 N32 -","- C48 H72 Cu2 Mn2 N32 -","- C48 H72 Cu2 Mn2 N32 -","1","0.5","","Suárez-Varela, José; Moreno, José María; Maimoun, Ikram Ben; Lloret, Francesc; Mrozinski, Jerzy; Kivekäs, Raikko; Colacio, Enrique","Novel Bimetallic-Dicyanamide Extended Two- and Three-Dimensional Networks through [Cu(rac-CTH)]2+Cation Templation","Crystal Growth & Design","2009","9","9","4102","","10.1021/cg9003438","","","0.71073","MoKα","","0.0743","0.0566","","","0.1114","0.1213","","","","","","0.987","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511158","29.846","0.017","21.31","0.008","12.09","0.008","90","","90","","90","","7689","7","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu2 Fe3 N38 O5 -","- C52 H72 Cu2 Fe3 N38 O5 -","- C208 H288 Cu8 Fe12 N152 O20 -","4","1","","Suárez-Varela, José; Moreno, José María; Maimoun, Ikram Ben; Lloret, Francesc; Mrozinski, Jerzy; Kivekäs, Raikko; Colacio, Enrique","Novel Bimetallic-Dicyanamide Extended Two- and Three-Dimensional Networks through [Cu(rac-CTH)]2+Cation Templation","Crystal Growth & Design","2009","9","9","4102","","10.1021/cg9003438","","","0.71073","MoKα","","0.2209","0.1109","","","0.2737","0.3328","","","","","","1.007","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511159","14.262","0.003","14.562","0.003","23.545","0.005","90","","90","","90","","4889.9","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H66 Cu N8 O15 S -","- C40 H54 Cu N8 O15 S -","- C160 H216 Cu4 N32 O60 S4 -","4","1","","Rajput, Lalit; Biradha, Kumar","Reliable Formation of an Unusual and Chiral Two-Dimensional Network Containing Entanglement of the Ligand in the Presence of Different Anions","Crystal Growth & Design","2009","9","9","3848","","10.1021/cg900570m","","","0.71073","MoKα","","0.0683","0.0504","","","0.1261","0.1351","","","","","","1.021","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511160","14.5315","0.0016","14.5565","0.0017","23.839","0.003","90","","90","","90","","5042.6","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H66 Cu F6 N8 O11 Si -","- C36 H44 Cu F6 N8 O9 Si -","- C144 H176 Cu4 F24 N32 O36 Si4 -","4","1","","Rajput, Lalit; Biradha, Kumar","Reliable Formation of an Unusual and Chiral Two-Dimensional Network Containing Entanglement of the Ligand in the Presence of Different Anions","Crystal Growth & Design","2009","9","9","3848","","10.1021/cg900570m","","","0.71073","MoKα","","0.1312","0.0763","","","0.1635","0.1918","","","","","","0.923","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511161","15.132","0.0009","22.9477","0.0013","15.477","0.0009","90","","90","","90","","5374.3","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C45 H69 Cu N13 O15 -","- C43 H44 Cu N10 O9 -","- C172 H176 Cu4 N40 O36 -","4","0.5","","Rajput, Lalit; Biradha, Kumar","Reliable Formation of an Unusual and Chiral Two-Dimensional Network Containing Entanglement of the Ligand in the Presence of Different Anions","Crystal Growth & Design","2009","9","9","3848","","10.1021/cg900570m","","","0.71073","MoKα","","0.1215","0.0818","","","0.2181","0.249","","","","","","0.948","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511162","10.2111","0.0008","10.7567","0.0009","13.8409","0.0011","106.981","0.001","90.44","0.001","112.164","0.001","1334.56","0.19","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 Br2 Cl N O3.5 -","- C31 H28 Br2 Cl N O3.5 -","- C62 H56 Br4 Cl2 N2 O7 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Multiple Molecular Recognition Host System using Charge-Transfer Complex of 3,3′-Disubstituted-1,1′-bi-2-naphthol and Methylviologen","Crystal Growth & Design","2009","9","9","4096","","10.1021/cg9003388","","","0.71073","MoKα","","0.0395","0.0324","","","0.0845","0.0878","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511163","10.2449","0.001","10.7942","0.001","14.149","0.0014","106.993","0.002","91.265","0.002","112.231","0.002","1369.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26.5 Br2 Cl N O4.5 -","- C31 H26.5 Br2 Cl N O4.5 -","- C62 H53 Br4 Cl2 N2 O9 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Multiple Molecular Recognition Host System using Charge-Transfer Complex of 3,3′-Disubstituted-1,1′-bi-2-naphthol and Methylviologen","Crystal Growth & Design","2009","9","9","4096","","10.1021/cg9003388","","","0.71073","MoKα","","0.0561","0.042","","","0.0942","0.1013","","","","","","1.019","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511164","16.347","0.01","18.436","0.01","10.075","0.009","90","","106.224","0.018","90","","2915","4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H66 As4 Cl6 O20 Sn6 -","- C28 H66 As4 Cl6 O20 Sn6 -","- C56 H132 As8 Cl12 O40 Sn12 -","2","0.25","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71073","MoKα","","0.1543","0.0738","","","0.1712","0.206","","","","","","1.065","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511165","21.872","0.012","18.304","0.008","15.823","0.008","90","","118.884","0.018","90","","5547","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H58 As4 Cl6 O20 Sn6 -","- C24 H58 As4 Cl6 O20 Sn6 -","- C96 H232 As16 Cl24 O80 Sn24 -","4","0.5","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71073","MoKα","","0.2048","0.0782","","","0.1761","0.2254","","","","","","1.027","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511166","10.076","0.005","13.819","0.008","14.216","0.008","61.469","0.018","77.05","0.02","69.946","0.018","1629.2","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H58 As4 Cl6 O20 Sn6 -","- C40 H58 As4 Cl6 O20 Sn6 -","- C40 H58 As4 Cl6 O20 Sn6 -","1","0.5","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71073","MoKα","","0.0461","0.0362","","","0.1125","0.1193","","","","","","1.053","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511167","9.314","0.003","22.966","0.008","11.919","0.004","90","","101.282","0.014","90","","2500.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H46 As4 Cl6 O20 Sn6 -","- C18 H46 As4 Cl6 O20 Sn6 -","- C36 H92 As8 Cl12 O40 Sn12 -","2","0.5","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71069","MoKα","","0.0649","0.0536","","","0.1172","0.1237","","","","","","1.111","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511168","15.3209","0.0012","18.2234","0.0015","9.3229","0.0008","90","","108.258","0.001","90","","2471.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H46 As4 Cl6 O20 Sn6 -","- C18 H46 As4 Cl6 O20 Sn6 -","- C36 H92 As8 Cl12 O40 Sn12 -","2","0.25","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71073","MoKα","","0.0495","0.0442","","","0.1123","0.1153","","","","","","1.018","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511169","11.744","0.005","12.693","0.006","13.249","0.008","74.51","0.02","74.588","0.019","76.046","0.019","1803.8","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H54 As4 Cl6 N4 O28 Sn6 -","- C40 H54 As4 Cl6 N4 O28 Sn6 -","- C40 H54 As4 Cl6 N4 O28 Sn6 -","1","0.5","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71073","MoKα","","0.0578","0.0445","","","0.1265","0.1371","","","","","","1.098","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511170","12.013","0.006","13.839","0.009","15.064","0.007","77.35","0.02","76.123","0.016","64.687","0.019","2178","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H94 As6 O26 Sn7 -","- C62 H92 As6 O26 Sn7 -","- C62 H92 As6 O26 Sn7 -","1","0.5","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71073","MoKα","","0.125","0.0622","","","0.1348","0.1625","","","","","","1.031","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511171","13.547","0.005","14.799","0.007","15.351","0.005","98.978","0.015","113.067","0.013","104.96","0.017","2618.5","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H88 As6 N6 O38 Sn7 -","- C86 H86 As6 N6 O38 Sn7 -","- C86 H86 As6 N6 O38 Sn7 -","1","0.5","","Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min","Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation","Crystal Growth & Design","2009","9","9","3881","","10.1021/cg8008877","","","0.71073","MoKα","","0.0737","0.0458","","","0.1224","0.1428","","","","","","1.057","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511172","13.099","0.0005","21.4937","0.0008","30.6223","0.0011","72.139","0.002","79.695","0.002","84.27","0.002","8064.4","0.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H147.7 Cu5.5 N26 O143.35 P4 W36 -","- C26 H147.7 Cu5.5 N26 O143.35 P4 W36 -","- C52 H295.4 Cu11 N52 O286.7 P8 W72 -","2","1","","Lin, Bi-Zhou; He, Li-Wen; Xu, Bai-Huan; Li, Xiao-Li; Li, Zhen; Liu, Pei-De","Two Polyoxophosphotungstates Formed by Wells−Dawson Cores Linked through W−O−W Linkages","Crystal Growth & Design","2009","9","1","273","","10.1021/cg8004486","","","0.71073","MoKα","","0.0617","0.0362","","","0.0888","0.0935","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511173","11.69","0.002","24.187","0.005","31.111","0.007","90","","95.556","0.004","90","","8755","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H80 Cu2 N12 O70 P2 W18 -","- C18 H80 Cu2 N12 O70 P2 W18 -","- C72 H320 Cu8 N48 O280 P8 W72 -","4","0.5","","Lin, Bi-Zhou; He, Li-Wen; Xu, Bai-Huan; Li, Xiao-Li; Li, Zhen; Liu, Pei-De","Two Polyoxophosphotungstates Formed by Wells−Dawson Cores Linked through W−O−W Linkages","Crystal Growth & Design","2009","9","1","273","","10.1021/cg8004486","","","0.71073","MoKα","","0.0652","0.0601","","","0.1711","0.1754","","","","","","1.06","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511174","13.8439","0.0003","18.2149","0.0004","18.8645","0.0004","105.857","0.002","110.572","0.002","105.722","0.002","3912.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C130 H60 O6 -","- C130 H60 O6 -","- C260 H120 O12 -","2","1","","Makha, Mohamed; Scott, Janet L.; Strauss, Christopher R.; Sobolev, Alexandre N.; Raston, Colin L.","Fullerene Inclusion Based on Horning-Crown Macrocycles","Crystal Growth & Design","2009","9","1","483","","10.1021/cg800746k","","","1.54178","CuKα","","0.1132","0.0789","","","0.2176","0.2446","","","","","","1.006","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511175","13.834","0.007","17.166","0.004","18.809","0.004","116.079","0.002","98.419","0.003","103.934","0.004","3727","2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C120 H60 O6 -","- C120 H60 O6 -","- C240 H120 O12 -","2","1","","Makha, Mohamed; Scott, Janet L.; Strauss, Christopher R.; Sobolev, Alexandre N.; Raston, Colin L.","Fullerene Inclusion Based on Horning-Crown Macrocycles","Crystal Growth & Design","2009","9","1","483","","10.1021/cg800746k","","","0.6775","synchrotron","","0.1121","0.0722","","","0.1951","0.2233","","","","","","1.006","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511176","18.262","0.002","18.663","0.002","19.717","0.002","84.807","0.002","74.192","0.002","69.421","0.002","6053.2","1.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C162 H96 O12 -","- C162.07 H96.08 O12 -","- C324.14 H192.16 O24 -","2","1","","Makha, Mohamed; Scott, Janet L.; Strauss, Christopher R.; Sobolev, Alexandre N.; Raston, Colin L.","Fullerene Inclusion Based on Horning-Crown Macrocycles","Crystal Growth & Design","2009","9","1","483","","10.1021/cg800746k","","","0.6775","synchrotron","","0.1569","0.1253","","","0.3425","0.3794","","","","","","1.057","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511177","11.189","0.005","10.705","0.006","15.981","0.007","90","","109.35","0.04","90","","1806","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lamotrigine hemisuccinate dimethylsufoxide solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - succinate - dimethylsolfoxide (1:0.5:1)","","- C13 H16 Cl2 N5 O3 S -","- C13 H16 Cl2 N5 O3 S -","- C52 H64 Cl8 N20 O12 S4 -","4","1","","Galcera, Judit; Molins, Elies","Effect of the Counterion on the Solubility of Isostructural Pharmaceutical Lamotrigine Salts","Crystal Growth & Design","2009","9","1","327","","10.1021/cg8005025","","","0.71073","MoKα","","0.094","0.0512","","","0.1218","0.1402","","","","","","1.029","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511178","11.319","0.001","10.574","0.002","15.836","0.002","90","","109.864","0.01","90","","1782.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lamotrigine hemisuccinate 1,3-dioxolane solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - succinate - 1,3-dioxolane (1:0.5:1)","","- C14 H16 Cl2 N5 O4 -","- C14 H16 Cl2 N5 O4 -","- C56 H64 Cl8 N20 O16 -","4","1","","Galcera, Judit; Molins, Elies","Effect of the Counterion on the Solubility of Isostructural Pharmaceutical Lamotrigine Salts","Crystal Growth & Design","2009","9","1","327","","10.1021/cg8005025","","","0.71073","MoKα","","0.3569","0.0727","","","0.1617","0.2398","","","","","","0.916","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511179","10.847","0.0019","10.923","0.004","15.877","0.004","90","","109.062","0.019","90","","1778","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lamotrigine hemifumarate dimethylsufoxide solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - fumarate - dimethylsolfoxide (1:0.5:1)","","- C13 H15 Cl2 N5 O3 S -","- C13 H15 Cl2 N5 O3 S -","- C52 H60 Cl8 N20 O12 S4 -","4","1","","Galcera, Judit; Molins, Elies","Effect of the Counterion on the Solubility of Isostructural Pharmaceutical Lamotrigine Salts","Crystal Growth & Design","2009","9","1","327","","10.1021/cg8005025","","","0.71073","MoKα","","0.2654","0.0775","","","0.1166","0.156","","","","","","0.989","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511180","11.249","","11.033","","15.8","","90","","108.4","","90","","1860.69","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lamotrigine DL-hemitartrate dimethylsufoxide solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - dl-tartrate - dimethylsolfoxide (1:0.5:1)","","- C13 H16 Cl2 N5 O4 S -","- C13 H16 Cl2 N5 O4 S -","- C52 H64 Cl8 N20 O16 S4 -","4","1","","Galcera, Judit; Molins, Elies","Effect of the Counterion on the Solubility of Isostructural Pharmaceutical Lamotrigine Salts","Crystal Growth & Design","2009","9","1","327","","10.1021/cg8005025","","","0.71073","MoKα","","0.1659","0.073","","","0.1279","0.154","","","","","","1.052","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511181","8.646","0.002","15.702","0.004","14.241","0.004","90","","106.772","0.003","90","","1851.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 Ni O5 -","- C18 H23 N3 Ni O5 -","- C72 H92 N12 Ni4 O20 -","4","1","","Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.","Generation of Three-Dimensional Networks through Aliphatic Chain Disorder in a Divalent Metal Dicarboxylate/Organodiimine Coordination Polymer System","Crystal Growth & Design","2009","9","1","358","","10.1021/cg800539j","","","0.71073","MoKα","","0.1128","0.0598","","","0.1292","0.1505","","","","","","1.06","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511182","18.7991","0.0002","18.7991","0.0002","13.8136","0.0003","90","","90","","90","","4881.81","0.13","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C52 H44 Mn3 N4 O12 -","- C52 H44 Mn3 N4 O12 -","- C208 H176 Mn12 N16 O48 -","4","1","","Mukherjee, Sudarshana; Lan, Yanhua; Kostakis, George E.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Influence of Water Ligands on Structural Diversity: From a One-Dimensional Linear Coordination Polymer to Three-Dimensional Ferrimagnetic Diamondoid Metal−Organic Frameworks","Crystal Growth & Design","2009","9","1","577","","10.1021/cg800879c","","","0.71073","MoKα","","0.0375","0.0352","","","0.0848","0.0863","","","","","","1.02","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511183","18.966","0.0007","18.966","0.0007","13.9262","0.001","90","","90","","90","","5009.4","0.4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C53 H51 Mn3 N4 O14 -","- C53 H49 Mn3 N4 O14 -","- C212 H196 Mn12 N16 O56 -","4","0.5","","Mukherjee, Sudarshana; Lan, Yanhua; Kostakis, George E.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Influence of Water Ligands on Structural Diversity: From a One-Dimensional Linear Coordination Polymer to Three-Dimensional Ferrimagnetic Diamondoid Metal−Organic Frameworks","Crystal Growth & Design","2009","9","1","577","","10.1021/cg800879c","","","0.71073","MoKα","","0.0611","0.0582","","","0.1403","0.1424","","","","","","1.037","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511184","18.888","0.003","13.7658","0.0014","20.054","0.003","90","","93.78","0.012","90","","5202.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 Mn3 N4 O15 -","- C53 H52 Mn3 N4 O15 -","- C212 H208 Mn12 N16 O60 -","4","1","","Mukherjee, Sudarshana; Lan, Yanhua; Kostakis, George E.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Influence of Water Ligands on Structural Diversity: From a One-Dimensional Linear Coordination Polymer to Three-Dimensional Ferrimagnetic Diamondoid Metal−Organic Frameworks","Crystal Growth & Design","2009","9","1","577","","10.1021/cg800879c","","","0.71073","MoKα","","0.1384","0.0856","","","0.1808","0.2082","","","","","","1.038","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511185","11.8534","0.0012","12.5635","0.0014","19.53","0.002","82.457","0.009","83.345","0.008","85.861","0.008","2859","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Mn3 N4 O16 -","- C58 H62 Mn3 N4 O16 -","- C116 H124 Mn6 N8 O32 -","2","1","","Mukherjee, Sudarshana; Lan, Yanhua; Kostakis, George E.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","Influence of Water Ligands on Structural Diversity: From a One-Dimensional Linear Coordination Polymer to Three-Dimensional Ferrimagnetic Diamondoid Metal−Organic Frameworks","Crystal Growth & Design","2009","9","1","577","","10.1021/cg800879c","","","0.71073","MoKα","","0.1198","0.0734","","","0.1713","0.1974","","","","","","0.979","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511186","10.032","0.004","12.661","0.006","14.354","0.006","80.165","0.014","79.963","0.013","89.973","0.015","1768.1","1.3","220","","220","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","2","","Seaton, Colin C.; Parkin, Andrew; Wilson, Chick C.; Blagden, Nicholas","Controlling the Formation of Benzoic Acid: Isonicotinamide Molecular Complexes","Crystal Growth & Design","2009","9","1","47","","10.1021/cg701024c","","","0.71073","MoKα","","0.1755","0.081","","0.2651","0.2222","0.2651","","","","","","0.7364","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511187","7.421","0.004","10.817","0.005","16.663","0.011","90","","93.097","0.005","90","","1335.6","1.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C48 H64 N16 O16 -","8","2","","Seaton, Colin C.; Parkin, Andrew; Wilson, Chick C.; Blagden, Nicholas","Controlling the Formation of Benzoic Acid: Isonicotinamide Molecular Complexes","Crystal Growth & Design","2009","9","1","47","","10.1021/cg701024c","","","0.71073","MoKα","","0.0825","0.0439","","0.1153","0.1056","0.1153","","","","","","0.8924","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511188","25.9","0.003","5.4215","0.0006","18.4291","0.0018","90","","124.027","0.002","90","","2144.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N4 O5 -","- C8 H14 N4 O5 -","- C64 H112 N32 O40 -","8","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.0488","0.0399","","","0.1103","0.1159","","","","","","1.065","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511189","7.9086","0.0011","30.211","0.004","17.531","0.002","90","","98.182","0.006","90","","4146","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 N4 O6 -","- C16 H32 N4 O6 -","- C128 H256 N32 O48 -","8","2","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.1145","0.0596","","","0.1755","0.2199","","","","","","1.027","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511190","10.4299","0.0016","11.3508","0.0019","12.0925","0.0019","108.958","0.002","93.422","0.003","96.179","0.003","1339.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[2(CH3)4N]2(C4H2N3O5)(NH2)2CS","","","- C17 H32 N10 O10 S -","- C17 H32 N10 O10 S -","- C34 H64 N20 O20 S2 -","2","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.0949","0.068","","","0.2038","0.2316","","","","","","1.078","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511191","14.713","0.0013","29.325","0.003","14.9917","0.0014","90","","90","","90","","6468.3","1.1","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","[2(C2H5)4N][(C4HN3O5)2][2(NH2)2CS]H2O","","","- C22 H51 N9 O6 S2 -","- C22 H41 N9 O6 S2 -","- C176 H328 N72 O48 S16 -","8","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.1322","0.0654","","","0.1916","0.2524","","","","","","1.011","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511192","8.5791","0.0015","17.024","0.003","17.691","0.003","90","","91.549","0.004","90","","2582.8","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","[(C3H7)4N][(C4H2N3O5)][(NH2)2CS]2H2O","","","- C17 H38 N6 O7 S -","- C17 H38 N6 O7 S -","- C68 H152 N24 O28 S4 -","4","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.0404","0.0338","","","0.0867","0.0928","","","","","","1.023","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511193","8.2667","0.0015","17.553","0.003","20.357","0.004","65.06","0.004","81.386","0.004","78.292","0.004","2615.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2[(C4H9)4N][2(C4H2N3O5)](NH2)2CSH2O","","","- C41 H82 N10 O11 S -","- C41 H82 N10 O11 S -","- C82 H164 N20 O22 S2 -","2","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.1127","0.0643","","","0.1838","0.2089","","","","","","1.079","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511194","10.13","0.003","14.666","0.005","15.268","0.005","90","","95.243","0.007","90","","2258.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(C2H5)4N][(C4H2N3O5)][2(NH2)2CO]2H2O","","","- C14 H34 N8 O9 -","- C14 H34 N8 O9 -","- C56 H136 N32 O36 -","4","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.127","0.0562","","","0.1348","0.1645","","","","","","1.03","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511195","16.363","0.002","8.8426","0.0013","18.128","0.003","90","","103.901","0.002","90","","2546.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(C3H7)4N][(C4H2N3O5)][2(NH2)2CO]","","","- C18 H38 N8 O7 -","- C18 H38 N8 O7 -","- C72 H152 N32 O28 -","4","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.0876","0.0485","","","0.1308","0.1588","","","","","","1.011","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511196","13.2716","0.0015","13.3676","0.0014","15.7087","0.0017","90","","91.337","0.002","90","","2786.1","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","[(C4H9)4N][(C4H2N3O5)][(NH2)2CO](2H2O)","","","- C21 H46 N6 O8 -","- C21 H46 N6 O8 -","- C84 H184 N24 O32 -","4","1","","Han, Jie; Zhao, Liang; Yau, Chung-Wah; Mak, Thomas C. W.","Hydrogen-Bonded Networks Constructed with 5-Nitrobarbiturate","Crystal Growth & Design","2009","9","1","308","","10.1021/cg800487b","","","0.71073","MoKα","","0.0677","0.0542","","","0.1403","0.1509","","","","","","0.96","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511197","28.9524","0.0005","9.6748","0.0002","23.3609","0.0005","90","","110.835","0.001","90","","6115.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 N4 -","- C41 H30 N4 -","- C328 H240 N32 -","8","1","","Gao, Yuan-Hao; Zhou, Wen; Li, Lin; Wu, Jie-Ying; Zhou, Hong-Ping; Yang, Jia-Xiang; Tian, Yu-Peng","Polymorphism in a Highly Conjugated Organic Compound: Strong Photoelectric Response","Crystal Growth & Design","2009","9","1","253","257","10.1021/cg8004085","","","0.71073","MoKα","","0.099","0.051","","","0.1163","0.1372","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511198","17.181","0.005","10.101","0.005","18.512","0.005","90","0.005","103.659","0.005","90","0.005","3122","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 N4 -","- C41 H30 N4 -","- C164 H120 N16 -","4","1","","Gao, Yuan-Hao; Zhou, Wen; Li, Lin; Wu, Jie-Ying; Zhou, Hong-Ping; Yang, Jia-Xiang; Tian, Yu-Peng","Polymorphism in a Highly Conjugated Organic Compound: Strong Photoelectric Response","Crystal Growth & Design","2009","9","1","253","257","10.1021/cg8004085","","","0.71073","MoKα","","0.1499","0.0552","","","0.1204","0.1589","","","","","","0.969","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4512593","34.0574","0.0017","34.0574","0.0017","6.9475","0.0005","90","","90","","90","","8058.5","0.8","100","2","100","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C84.65 H64.98 F24 N8.33 P4 -","- C84.664 H64.996 F24 N8.332 P4 -","- C338.656 H259.984 F96 N33.328 P16 -","4","","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0881","0.0773","","","0.1879","0.1942","","","","","","1.13","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512594","35.4484","0.0013","10.5194","0.0004","29.0669","0.001","90","","109.864","0.002","90","","10194","0.7","100","2","99.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C98 H96 F36 N8 O16 P6 -","- C98 H96 F36 N8 O16 P6 -","- C392 H384 F144 N32 O64 P24 -","4","1","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0836","0.07","","","0.1825","0.1959","","","","","","1.035","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512595","7.3021","0.0003","13.6827","0.0005","39.2653","0.0013","90","","95.246","0.002","90","","3906.7","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H67 F24 N9 P4 -","- C86 H67 F24 N9 P4 -","- C172 H134 F48 N18 P8 -","2","0.5","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0643","0.0539","","","0.1372","0.145","","","","","","1.029","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512596","11.4221","0.0004","13.2531","0.0004","15.8643","0.0005","90","","99.1783","0.0014","90","","2370.76","0.13","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 F12 N4 P2 -","- C52 H52 F12 N4 P2 -","- C104 H104 F24 N8 P4 -","2","0.5","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","0.71073","MoKα","","0.0614","0.0474","","","0.1453","0.1624","","","","","","1.047","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512894","5.8364","0.0003","11.1486","0.0004","19.6062","0.0008","90","","90","","90","","1275.73","0.1","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C60 H56 N8 S4 -","4","1","","Mandal, Amal Kumar; Sreejith, Sivaramapanicker; He, Tingchao; Maji, Swarup Kumar; Wang, Xiao-Jun; Ong, Shi Li; Joseph, James; Sun, Handong; Zhao, Yanli","Three-photon-excited luminescence from unsymmetrical cyanostilbene aggregates: morphology tuning and targeted bioimaging.","ACS nano","2015","9","5","4796","4805","10.1021/nn507072r","","","0.71073","MoKα","","0.0381","0.0338","","","0.0849","0.0978","","","","","","1.13","","","","has coordinates,has disorder","301843","2025-08-21","01:58:39",""
"4514022","9.2232","0.0006","9.4833","0.0006","9.9839","0.0007","62.92","0.003","86.045","0.003","83.467","0.003","772.33","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Co3 N14 O8 -","- C28 H18 Co3 N14 O8 -","- C28 H18 Co3 N14 O8 -","1","0.5","","Gong, Teng; Yang, Xiao; Fang, Jia-Jia; Sui, Qi; Xi, Fu-Gui; Gao, En-Qing","Distinct Chromic and Magnetic Properties of Metal-Organic Frameworks with a Redox Ligand.","ACS applied materials & interfaces","2017","9","6","5503","5512","10.1021/acsami.6b15540","","","1.54178","CuKα","","0.117","0.1085","","","0.2544","0.2599","","","","","","1.174","","","","has coordinates","193395","2020-10-21","18:00:00",""
"4514042","10.45578","0.00018","14.5262","0.0002","14.2658","0.0003","90","","105.018","0.0019","90","","2092.72","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Ag N8 O4 -","- C19 H17 Ag N8 O4 -","- C76 H68 Ag4 N32 O16 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.0438","0.0332","","","0.082","0.0882","","","","","","1.057","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514043","9.7608","0.0011","18.2332","0.0013","10.4565","0.0014","90","","110.843","0.014","90","","1739.2","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag N7 O3 -","- C17 H12 Ag N7 O3 -","- C68 H48 Ag4 N28 O12 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.069","0.0495","","","0.108","0.1147","","","","","","1.158","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514044","10.2824","0.0009","14.8893","0.001","14.3004","0.0013","90","","103.428","0.009","90","","2129.5","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13.5 Ag Mn0.84 N6.66 O3.84 -","- C18 H13.5 Ag Mn0.841 N6.659 O3.841 -","- C72 H54 Ag4 Mn3.364 N26.636 O15.364 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.0838","0.068","","","0.1933","0.2161","","","","","","1.045","","","","has coordinates,has disorder","193394","2020-10-21","18:00:00",""
"4514045","10.263","0.0005","14.9415","0.0007","14.3242","0.0008","90","","103.092","0.005","90","","2139.45","0.19","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13.5 Ag Mn N6.5 O4 -","- C18 H13.5 Ag Mn N6.5 O4 -","- C72 H54 Ag4 Mn4 N26 O16 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.1009","0.0737","","","0.214","0.231","","","","","","1.077","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514046","9.3008","0.0003","18.1909","0.0003","11.4385","0.0003","90","","108.077","0.003","90","","1839.75","0.09","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Ag Mn N6 O4 -","- C17 H12 Ag Mn N6 O4 -","- C68 H48 Ag4 Mn4 N24 O16 -","4","1","","Li, Cheng-Peng; Liu, Bo-Lan; Wang, Lei; Liu, Yue; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","Tracking the Superefficient Anion Exchange of a Dynamic Porous Material Constructed by Ag(I) Nitrate and Tripyridyltriazole via Multistep Single-Crystal to Single-Crystal Transformations.","ACS applied materials & interfaces","2017","9","8","7202","7208","10.1021/acsami.6b16757","","","0.71073","MoKα","","0.0433","0.0334","","","0.0694","0.0749","","","","","","1.08","","","","has coordinates","193394","2020-10-21","18:00:00",""
"4514049","16.704","0.005","19.21","0.005","18.532","0.005","90","","107.071","0.005","90","","5685","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Cd2 N5 O11 -","- C37 H32 Cd2 N5 O11 -","- C148 H128 Cd8 N20 O44 -","4","1","","Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Zheng, Sheng-Run; Yu, Ying; Fan, Yan-Zhong; Xu, Xian-Yan; Si, Li-Ping","2-Fold Interpenetrating Bifunctional Cd-Metal-Organic Frameworks: Highly Selective Adsorption for CO2 and Sensitive Luminescent Sensing of Nitro Aromatic 2,4,6-Trinitrophenol.","ACS applied materials & interfaces","2017","9","5","4701","4708","10.1021/acsami.6b14051","","","0.71073","MoKα","","0.0797","0.045","","","0.1118","0.1267","","","","","","0.976","","","","has coordinates","192842","2020-10-21","18:00:00",""
"4514050","19.453","0.0007","11.3613","0.0007","15.2963","0.0009","90","","115.636","0.002","90","","3047.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Mn2 N8 O13 -","- C28 H28 Mn2 N8 O13 -","- C112 H112 Mn8 N32 O52 -","4","0.5","","Gong, Teng; Yang, Xiao; Fang, Jia-Jia; Sui, Qi; Xi, Fu-Gui; Gao, En-Qing","Distinct Chromic and Magnetic Properties of Metal-Organic Frameworks with a Redox Ligand.","ACS applied materials & interfaces","2017","9","6","5503","5512","10.1021/acsami.6b15540","","","0.71073","MoKα","","0.0431","0.0366","","","0.1002","0.1048","","","","","","1.088","","","","has coordinates","192843","2020-10-21","18:00:00",""
"4514065","5.4841","0.0001","12.2105","0.0003","12.4889","0.0003","63.407","0.002","84.94","0.002","89.691","0.002","744.37","0.03","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 O3 S2 -","- C18 H10 O3 S2 -","- C36 H20 O6 S4 -","2","1","","Ogawa, Yuta; Yamamoto, Kazuhiro; Miura, Chiyo; Tamura, Shigeki; Saito, Mitsuki; Mamada, Masashi; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi","Asymmetric Alkylthienyl Thienoacenes Derived from Anthra[2,3-b]thieno[2,3-d]thiophene for Solution-Processable Organic Semiconductors.","ACS applied materials & interfaces","2017","9","11","9902","9909","10.1021/acsami.6b15793","","","0.71073","MoKα","","0.0349","0.0339","","","0.1032","0.1045","","","","","","1.117","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514075","9.7913","0.0005","13.4826","0.0007","14.3591","0.0007","103.936","0.001","97.168","0.001","101.758","0.001","1770.77","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 F2 Ir N4 -","- C43 H37 F2 Ir N4 -","- C86 H74 F4 Ir2 N8 -","2","1","","Li, Guomeng; Li, Ping; Zhuang, Xuming; Ye, Kaiqi; Liu, Yu; Wang, Yue","Rational Design and Characterization of Heteroleptic Phosphorescent Complexes for Highly Efficient Deep-Red Organic Light-Emitting Devices.","ACS applied materials & interfaces","2017","9","13","11749","11758","10.1021/acsami.7b00348","","","0.71073","MoKα","","0.0266","0.0236","","","0.0562","0.0574","","","","","","1.003","","","","has coordinates","196104","2020-10-21","18:00:00",""
"4514076","20.707","0.0003","20.707","0.0003","66.9823","0.001","90","","90","","90","","28720.7","0.7","100","2","100","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C46 H26 O16 Zr3 -","- C46 H26 O16 Zr3 -","- C368 H208 O128 Zr24 -","8","0.25","","Wang, Bin; Yang, Qi; Guo, Chao; Sun, Yuxiu; Xie, Lin-Hua; Li, Jian-Rong","Stable Zr(IV)-Based Metal-Organic Frameworks with Predesigned Functionalized Ligands for Highly Selective Detection of Fe(III) Ions in Water.","ACS applied materials & interfaces","2017","9","11","10286","10295","10.1021/acsami.7b00918","","","1.54178","CuKα","","0.1592","0.102","","","0.2879","0.3244","","","","","","0.996","","","","has coordinates","194660","2020-10-21","18:00:00",""
"4514077","20.6568","0.0003","20.6568","0.0003","66.6868","0.0014","90","","90","","90","","28455.5","0.8","100","0.1","100","0.1","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C44 H24 N2 O16 Zr3 -","- C44 H24 N2 O16 Zr3 -","- C352 H192 N16 O128 Zr24 -","8","0.25","","Wang, Bin; Yang, Qi; Guo, Chao; Sun, Yuxiu; Xie, Lin-Hua; Li, Jian-Rong","Stable Zr(IV)-Based Metal-Organic Frameworks with Predesigned Functionalized Ligands for Highly Selective Detection of Fe(III) Ions in Water.","ACS applied materials & interfaces","2017","9","11","10286","10295","10.1021/acsami.7b00918","","","1.54178","CuKα","","0.0707","0.0455","","","0.1234","0.132","","","","","","0.87","","","","has coordinates","194660","2020-10-21","18:00:00",""
"4514081","10.7476","0.0001","15.4502","0.0002","35.31","0.0006","90","","90","","90","","5863.32","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F6 Ir N6 P -","- C30 H26 F6 Ir N6 P -","- C240 H208 F48 Ir8 N48 P8 -","8","1","","Chen, Mu-He; Wang, Fang-Xin; Cao, Jian-Jun; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Light-Up Mitophagy in Live Cells with Dual-Functional Theranostic Phosphorescent Iridium(III) Complexes.","ACS applied materials & interfaces","2017","9","15","13304","13314","10.1021/acsami.7b01735","","","1.54178","CuKα","","0.0324","0.0289","","","0.069","0.0707","","","","","","1.091","","","","has coordinates","196105","2020-10-21","18:00:00",""
"4514082","10.9606","0.0007","15.2789","0.0012","34.871","0.002","90","","90","","90","","5839.7","0.7","285.94","0.1","285.94","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F6 Ir N6 P S2 -","- C26 H22 F6 Ir N6 P S2 -","- C208 H176 F48 Ir8 N48 P8 S16 -","8","1","","Chen, Mu-He; Wang, Fang-Xin; Cao, Jian-Jun; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Light-Up Mitophagy in Live Cells with Dual-Functional Theranostic Phosphorescent Iridium(III) Complexes.","ACS applied materials & interfaces","2017","9","15","13304","13314","10.1021/acsami.7b01735","","","1.54178","CuKα","","0.0304","0.0251","","","0.0601","0.0646","","","","","","1.054","","","","has coordinates","196105","2020-10-21","18:00:00",""
"4514092","24.404","0.007","14.181","0.007","9.304","0.003","90","","99.608","0.008","90","","3175","2","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H22 N4 O6 S2 Zn -","- C22 H22 N4 O6 S2 Zn -","- C88 H88 N16 O24 S8 Zn4 -","4","0.5","","Zhao, Yang; Xu, Xiaoyue; Qiu, Ling; Kang, Xiaojing; Wen, Lili; Zhang, Bingguang","Metal-Organic Frameworks Constructed from a New Thiophene-Functionalized Dicarboxylate: Luminescence Sensing and Pesticide Removal.","ACS applied materials & interfaces","2017","9","17","15164","","10.1021/acsami.6b11797","","","0.71073","MoKα","","0.0543","0.0465","","","0.1448","0.1477","","","","","","1.053","","","","has coordinates","196103","2020-10-21","18:00:00",""
"4514093","28.6987","0.0012","28.6987","0.0012","23.8","0.002","90","","90","","90","","19602","2","173.15","","173.15","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30.75 H22 Cd N3 O7 S2 -","- C30.75 H22 Cd N3 O7 S2 -","- C246 H176 Cd8 N24 O56 S16 -","8","1","","Zhao, Yang; Xu, Xiaoyue; Qiu, Ling; Kang, Xiaojing; Wen, Lili; Zhang, Bingguang","Metal-Organic Frameworks Constructed from a New Thiophene-Functionalized Dicarboxylate: Luminescence Sensing and Pesticide Removal.","ACS applied materials & interfaces","2017","9","17","15164","","10.1021/acsami.6b11797","","","0.71073","MoKα","","0.1592","0.0507","","","0.1005","0.1343","","","","","","0.874","","","","has coordinates,has disorder","196103","2020-10-21","18:00:00",""
"4514097","11.569","0.0005","12.3348","0.0005","13.6093","0.0006","97.305","0.001","94.433","0.001","112.681","0.001","1760.32","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 F4 Ir N4 -","- C43 H35 F4 Ir N4 -","- C86 H70 F8 Ir2 N8 -","2","1","","Li, Guomeng; Li, Ping; Zhuang, Xuming; Ye, Kaiqi; Liu, Yu; Wang, Yue","Rational Design and Characterization of Heteroleptic Phosphorescent Complexes for Highly Efficient Deep-Red Organic Light-Emitting Devices.","ACS applied materials & interfaces","2017","9","13","11749","11758","10.1021/acsami.7b00348","","","0.71073","MoKα","","0.0241","0.0221","","","0.0561","0.057","","","","","","1.066","","","","has coordinates","195912","2020-10-21","18:00:00",""
"4514098","10.0173","0.0002","8.6586","0.0002","13.7906","0.0003","90","","99.382","0.002","90","","1180.14","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bpy-PdCl2","Bpy-PdCl2","","- C10 H10 Cl2 N4 Pd -","- C10 H10 Cl2 N4 Pd -","- C40 H40 Cl8 N16 Pd4 -","4","1","","Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul","Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis.","ACS applied materials & interfaces","2017","9","15","13785","13792","10.1021/acsami.7b02355","","x-ray","0.71073","MoKα","","0.0337","0.0266","","","0.0536","0.0589","","","","","","1.056","","","","has coordinates","195913","2020-10-21","18:00:00",""
"4514099","8.3515","0.0007","5.6087","0.0004","23.3147","0.0019","90","","98.894","0.008","90","","1078.95","0.15","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-phenylbenzofuran-5-carbaldehyde","2-phenylbenzofuran-5-carbaldehyde","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul","Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis.","ACS applied materials & interfaces","2017","9","15","13785","13792","10.1021/acsami.7b02355","","x-ray","1.54184","CuKα","","0.0529","0.0453","","","0.1216","0.1314","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514134","17.784","0.0019","7.5472","0.0008","25.281","0.003","90","","90","","90","","3393.2","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","1","","Butler, Tristan; Mathew, Alexander S.; Sabat, Michal; Fraser, Cassandra L.","Camera Method for Monitoring a Mechanochromic Luminescent β-Diketone Dye with Rapid Recovery.","ACS applied materials & interfaces","2017","9","20","17603","17612","10.1021/acsami.7b01985","","","0.71073","MoKα","","0.0741","0.0475","","","0.1258","0.1467","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514135","10.5207","0.0006","19.5694","0.0011","19.8195","0.0012","85.567","0.001","76.231","0.001","85.878","0.001","3945.4","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H55 Cd2 N12 O10 -","- C85 H55 Cd2 N12 O10 -","- C170 H110 Cd4 N24 O20 -","2","1","","Yang, Lirong; Lian, Chen; Li, Xuefei; Han, Yuyang; Yang, Lele; Cai, Ting; Shao, Caiyun","Highly Selective Bifunctional Luminescent Sensor toward Nitrobenzene and Cu(2+) Ion Based on Microporous Metal-Organic Frameworks: Synthesis, Structures, and Properties.","ACS applied materials & interfaces","2017","9","20","17208","17217","10.1021/acsami.7b01758","","","0.71073","MoKα","","0.1002","0.0513","","","0.1329","0.172","","","","","","1.01","","","","has coordinates,has disorder","197203","2020-10-21","18:00:00",""
"4514174","16.7486","0.0003","16.7486","0.0003","19.0019","0.0006","90","","90","","120","","4616.2","0.19","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 N18 O7 Zn3 -","- C42 H24 N18 O7 Zn3 -","- C84 H48 N36 O14 Zn6 -","2","0.0833333","","Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao","Dual-Emitting Dye@MOF Composite as a Self-Calibrating Sensor for 2,4,6-Trinitrophenol.","ACS applied materials & interfaces","2017","9","29","24671","24677","10.1021/acsami.7b07901","","x-ray","1.54184","CuKα","","0.0676","0.066","","","0.1935","0.1947","","","","","","1.107","","","","has coordinates,has disorder","200216","2020-10-21","18:00:00",""
"4514175","18.906","0.0006","18.906","0.0006","13.6216","0.0008","90","","90","","90","","4868.9","0.4","373.01","0.1","373.01","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H15 Cu2 O8 -","- C25 H14.5 Cu2 O8 -","- C100 H58 Cu8 O32 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","x-ray","1.54184","CuKα","","0.1468","0.0665","","","0.1536","0.1916","","","","","","0.982","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514176","18.8441","0.0005","18.8441","0.0005","13.4252","0.0006","90","","90","","90","","4767.3","0.3","290.91","0.1","290.91","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H19 Cu2 O10 -","- C25 H15 Cu2 O10 -","- C100 H60 Cu8 O40 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","x-ray","1.54184","CuKα","","0.0977","0.0752","","","0.2399","0.2681","","","","","","0.99","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514177","18.9911","0.001","18.9911","0.001","13.4276","0.0013","90","","90","","90","","4842.8","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C100 H168.96 Cu8 O86.48 -","- C100 H60 Cu8 O86.48 -","- C100 H60 Cu8 O86.48 -","1","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.1392","0.0903","","","0.2557","0.2974","","","","","","1.028","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514178","18.917","0.0005","18.917","0.0005","13.5692","0.0005","90","","90","","90","","4855.8","0.3","99.97","0.1","99.97","0.1","","","","","","","","4","P 4/n m m","-P 4a 2a","129","","","","- C25 H26.2 Cu2 O13.6 -","- C25 H14.5 Cu2 O13.6 -","- C100 H58 Cu8 O54.4 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.1317","0.0967","","","0.3107","0.342","","","","","","1.269","","","","has coordinates,has disorder","200217","2020-10-21","18:00:00",""
"4514179","18.8487","0.0002","18.8487","0.0002","13.8659","0.0003","90","","90","","90","","4926.19","0.13","100","2","100","2","","","","","","","","5","P 4/n m m","-P 4a 2a","129","","","","- C40 H27 Cu2 N2.5 O8 -","- C40 H27 Cu2 N2.5 O8 -","- C160 H108 Cu8 N10 O32 -","4","","","Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong","A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.","ACS applied materials & interfaces","2017","9","32","27027","27035","10.1021/acsami.7b07920","","","1.54184","CuKα","","0.0901","0.0797","","","0.2487","0.2594","","","","","","0.967","","","","has coordinates","200217","2020-10-21","18:00:00",""
"4514180","34.23","","34.23","","48.409","0.006","90","","90","","90","","56720","7","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","Cr-3 cub","","","- C456 H576 Cr24 O120 Si24 -","- C456 H576 Cr24 O120 Si24 -","- C912 H1152 Cr48 O240 Si48 -","2","0.125","","Park, Jinhee; Perry, Zachary; Chen, Ying-Pin; Bae, Jaeyeon; Zhou, Hong-Cai","Chromium(II) Metal-Organic Polyhedra as Highly Porous Materials.","ACS applied materials & interfaces","2017","9","33","28064","28068","10.1021/acsami.7b09339","","","0.41328","Synchrotronat15-IDSecofArgonneNationalLab","","0.2126","0.1331","","","0.3081","0.3228","","","","","","1.003","","","","has coordinates","200218","2020-10-21","18:00:00",""
"4514181","11.5039","0.0005","13.4991","0.0006","13.6851","0.0006","106.885","0.001","108.723","0.001","94.03","0.001","1894.35","0.15","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","Bis-AO","","- C1.74 H2.33 Cl0.1 N0.46 O0.36 -","- C1.74359 H2.33272 Cl0.102564 N0.461538 O0.358974 -","- C68 H90.976 Cl4 N18 O14 -","39","19.5","","Piechowicz, Marek; Abney, Carter W.; Thacker, Nathan C.; Gilhula, James C.; Wang, Youfu; Veroneau, Samuel S.; Hu, Aiguo; Lin, Wenbin","Successful Coupling of a Bis-Amidoxime Uranophile with a Hydrophilic Backbone for Selective Uranium Sequestration.","ACS applied materials & interfaces","2017","9","33","27894","27904","10.1021/acsami.7b04656","","","0.43128","","","0.0654","0.0581","","","0.1709","0.1789","","","","","","1.074","","","","has coordinates,has disorder","200219","2020-10-21","18:00:00",""
"4514182","19.841","","10.611","","24.928","","90","","101.79","","90","","5137.44","","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 N2 O2 S4 -","- C58.029 H69.058 N2 O2 S4 -","- C232.116 H276.232 N8 O8 S16 -","4","1","","Cole, Jacqueline M.; Blood-Forsythe, Martin A; Lin, Tze-Chia; Pattison, Philip; Gong, Yun; Vázquez-Mayagoitia, Álvaro; Waddell, Paul G.; Zhang, Lei; Koumura, Nagatoshi; Mori, Shogo","Discovery of S···C≡N Intramolecular Bonding in a Thiophenylcyanoacrylate-Based Dye: Realizing Charge Transfer Pathways and Dye···TiO2 Anchoring Characteristics for Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2017","9","31","25952","25961","10.1021/acsami.7b03522","","","0.698","synchrotron","","0.1493","0.0994","","","0.2035","0.2241","","","","","","1.137","","","","has coordinates,has disorder","200220","2020-10-21","18:00:00",""
"4514203","27.199","0.004","27.199","0.004","39.14","0.008","90","","90","","90","","28955","8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C72 H91 Cu6 N13 O42 -","- C59 H36 Cu6 N9 O31 -","- C472 H288 Cu48 N72 O248 -","8","0.5","","Liu, Bing; Yao, Shuo; Liu, Xinyao; Li, Xu; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance.","ACS applied materials & interfaces","2017","9","38","32820","32828","10.1021/acsami.7b10795","","","0.71073","MoKα","","0.0687","0.0498","","","0.1572","0.1668","","","","","","1.079","","","","has coordinates,has disorder","201742","2020-10-21","18:00:00",""
"4514204","27.397","0.004","27.397","0.004","38.876","0.008","90","","90","","90","","29180","9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C70 H83 Cu6 N13 O42 -","- C56 H28 Cu6 N8 O31 -","- C448 H224 Cu48 N64 O248 -","8","0.5","","Liu, Bing; Yao, Shuo; Liu, Xinyao; Li, Xu; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance.","ACS applied materials & interfaces","2017","9","38","32820","32828","10.1021/acsami.7b10795","","","0.71073","MoKα","","0.066","0.0475","","","0.1529","0.1591","","","","","","1.055","","","","has coordinates,has disorder","201742","2020-10-21","18:00:00",""
"4514210","23.874","0.018","23.874","","15.894","0.012","90","","90","","90","","9059","10","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C68 H48 O34 Zr6 -","- C68 H48 O34 Zr6 -","- C136 H96 O68 Zr12 -","2","0.125","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1473","0.0704","","","0.1614","0.1768","","","","","","0.978","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514211","23.637","0.005","23.637","","16.995","0.004","90","","90","","90","","9495","3","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C160 H104 O80 Zr12 -","- C160 H104 O80 Zr12 -","- C160 H104 O80 Zr12 -","1","0.0625","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1291","0.0931","","","0.2516","0.2691","","","","","","1.019","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514212","34.3258","0.0008","34.3258","0.0008","14.7063","0.0007","90","","90","","90","","17327.9","1","110","2","110","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C70 H52 O32 Zr6 -","- C70 H52 O32 Zr6 -","- C280 H208 O128 Zr24 -","4","0.25","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","1.54178","CuKα","","0.1091","0.0825","","","0.1911","0.2011","","","","","","1.066","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514213","23.6077","0.0004","23.608","","17.1351","0.0003","90","","90","","90","","9549.9","0.2","100","2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C92 H48 O38 Zr6 -","- C92 H48 O38 Zr6 -","- C184 H96 O76 Zr12 -","2","0.125","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","1.54184","CuKα","","0.1308","0.1048","","","0.2493","0.2676","","","","","","1.178","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514214","34.15","0.03","34.153","","14.656","0.011","90","","90","","90","","17094","2","110","2","110","2","","","","","","","","5","P 42/n c m","-P 4ac 2ac","138","","","","- C78 H56 N2 O34 Zr6 -","- C78 H56 N2 O34 Zr6 -","- C312 H224 N8 O136 Zr24 -","4","","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1771","0.0843","","","0.2187","0.2455","","","","","","0.959","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514215","23.797","0.01","23.797","","16.355","0.008","90","","90","","90","","9262","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H48 O36 Zr6 -","- C72 H48 O36 Zr6 -","- C144 H96 O72 Zr12 -","2","0.125","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","0.71073","MoKα","","0.1311","0.0794","","","0.1957","0.2184","","","","","","0.967","","","","has coordinates","202640","2020-10-21","18:00:00",""
"4514228","6.0134","0.0004","7.8064","0.0004","35.177","0.003","92.753","0.004","93.386","0.006","90.013","0.006","1646.5","0.2","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 S3 -","- C20 H14 S3 -","- C80 H56 S12 -","4","2","","He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length.","ACS applied materials & interfaces","2017","9","40","35427","35436","10.1021/acsami.7b10675","","","1.54178","CuKα","","0.2364","0.1464","","","0.3724","0.4498","","","","","","1.323","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514229","5.9301","0.0003","7.8096","0.0003","46.53","0.002","87.064","0.002","88.436","0.002","89.964","0.002","2151.25","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 S3 -","- C25 H24 S3 -","- C100 H96 S12 -","4","2","","He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length.","ACS applied materials & interfaces","2017","9","40","35427","35436","10.1021/acsami.7b10675","","","1.54178","CuKα","","0.1081","0.0824","","","0.2114","0.2241","","","","","","1.069","","","","has coordinates,has disorder","202641","2020-10-21","18:00:00",""
"4514230","5.9656","0.0002","7.8049","0.0002","39.9337","0.0013","91.6519","0.0012","90.1201","0.0012","90.0104","0.0011","1858.57","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 S3 -","- C22 H18 S3 -","- C88 H72 S12 -","4","2","","He, Keqiang; Li, Weili; Tian, Hongkun; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Asymmetric Conjugated Molecules Based on [1]Benzothieno[3,2-b][1]benzothiophene for High-Mobility Organic Thin-Film Transistors: Influence of Alkyl Chain Length.","ACS applied materials & interfaces","2017","9","40","35427","35436","10.1021/acsami.7b10675","","","1.54178","CuKα","","0.0611","0.0573","","","0.1819","0.1862","","","","","","1.052","","","","has coordinates,has disorder","202641","2020-10-21","18:00:00",""
"4514254","18.0594","0.0012","18.7382","0.001","19.9513","0.0013","90","","97.174","0.003","90","","6698.7","0.7","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H204 Cu6 N26 Na2 Ni7 O128 P6 W18 -","- C32 H114 Cu6 N26 Na2 Ni7 O98 P6 W18 -","- C64 H228 Cu12 N52 Na4 Ni14 O196 P12 W36 -","2","0.5","","Zhang, Shuangshuang; Oms, Olivier; Hao, Long; Liu, Rongji; Wang, Meng; Zhang, Yaqin; He, Hong-Yan; Dolbecq, Anne; Marrot, Jérôme; Keita, Bineta; Zhi, Linjie; Mialane, Pierre; Li, Bin; Zhang, Guangjin","High Oxygen Reduction Reaction Performances of Cathode Materials Combining Polyoxometalates, Coordination Complexes, and Carboneous Supports.","ACS applied materials & interfaces","2017","9","44","38486","38498","10.1021/acsami.7b10989","","","0.71073","MoKα","","0.0773","0.0561","","","0.1474","0.1607","","","","","","1.175","","","","has coordinates,has disorder","203974","2020-10-21","18:00:00",""
"4514255","10.558","0.002","11.152","0.002","11.868","0.002","89.94","0.03","86.75","0.03","72.15","0.03","1327.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 O5 -","- C31 H27 N3 O5 -","- C62 H54 N6 O10 -","2","1","","Xi, Guan; Sheng, Lan; Zhang, Ivan; Du, Jiahui; Zhang, Ting; Chen, Qiaonan; Li, Guiying; Zhang, Ying; Song, Yue; Li, Jianhua; Zhang, Yu-Mo; Zhang, Sean Xiao-An","Endowing Hydrochromism to Fluorans via Bioinspired Alteration of Molecular Structures and Microenvironments and Expanding Their Potential for Rewritable Paper.","ACS applied materials & interfaces","2017","9","43","38032","38041","10.1021/acsami.7b12363","","","0.71073","MoKα","","0.0799","0.0568","","","0.1542","0.1674","","","","","","1.088","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514256","9.4613","0.0009","10.6889","0.001","20.2009","0.0019","84.88","0.003","80.566","0.003","82.782","0.003","1994.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cd N8 O9 -","- C44 H38 Cd N8 O9 -","- C88 H76 Cd2 N16 O18 -","2","1","","Maity, Kartik; Bhunia, Kousik; Pradhan, Debabrata; Biradha, Kumar","Co(II)-Doped Cd-MOF as an Efficient Water Oxidation Catalyst: Doubly Interpenetrated Boron Nitride Network with the Encapsulation of Free Ligand Containing Pyridine Moieties.","ACS applied materials & interfaces","2017","9","43","37548","37553","10.1021/acsami.7b12926","","","0.71073","MoKα","","0.058","0.0416","","","0.0693","0.0716","","","","","","1.401","","","","has coordinates","202548","2020-10-21","18:00:00",""
"4514257","24.4635","0.0015","24.4635","0.0015","112.996","0.008","90","","90","","120","","58564","7","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H42 N12 O32 Zn8 -","- C90 H42 N12 O32 Zn8 -","- C1080 H504 N144 O384 Zn96 -","12","0.333333","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","1.54178","CuKα","","0.1564","0.1107","","","0.3052","0.3443","","","","","","1.1","","","","has coordinates,has disorder","202549","2020-10-21","18:00:00",""
"4514258","15.1669","0.0013","15.1542","0.0013","32.47","0.003","90","","99.162","0.004","90","","7367.8","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H123 N17 O29 Zn4 -","- C102 H123 N17 O29 Zn4 -","- C204 H246 N34 O58 Zn8 -","2","1","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","0.71073","MoKα","","0.0858","0.058","","","0.1264","0.1365","","","","","","1.027","","","","has coordinates","202550","2020-10-21","18:00:00",""
"4514259","24.2031","0.0012","18.0034","0.0009","13.998","0.0006","90","","100.52","0.002","90","","5996.9","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H12 N3 O5 Zn -","- C20 H12 N3 O5 Zn -","- C160 H96 N24 O40 Zn8 -","8","1","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","0.71073","MoKα","","0.0777","0.051","","","0.1447","0.1594","","","","","","1.08","","","","has coordinates,has disorder","202551","2020-10-21","18:00:00",""
"4514260","15.173","0.004","15.232","0.004","16.006","0.004","77.869","0.012","80.918","0.013","84.57","0.011","3564","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N6 O10 Zn2 -","- C42 H28 N6 O10 Zn2 -","- C84 H56 N12 O20 Zn4 -","2","1","","Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph","Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.","ACS applied materials & interfaces","2017","9","42","37419","37434","10.1021/acsami.7b10884","","","0.71073","MoKα","","0.144","0.1069","","","0.2956","0.3297","","","","","","1.223","","","","has coordinates","202552","2020-10-21","18:00:00",""
"4514261","19.368","0.003","19.368","0.003","20.907","0.007","90","","90","","90","","7843","3","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H100 Co4 N16 O44 -","- C32 H44 Co4 N16 O24.4 -","- C128 H176 Co16 N64 O97.6 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.0889","0.0512","","","0.1531","0.1948","","","","","","1.071","","","","has coordinates","202553","2020-10-21","18:00:00",""
"4514262","18.631","0.003","18.631","0.003","21.582","0.004","90","","90","","90","","7491","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C36 H102 Co4 N16 O41 -","- C36 H12 Co4 N16 O23.6 -","- C144 H48 Co16 N64 O94.4 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.1486","0.0638","","","0.1693","0.2512","","","","","","1.124","","","","has coordinates,has disorder","202554","2020-10-21","18:00:00",""
"4514263","19.802","0.003","19.802","0.003","20.696","0.004","90","","90","","90","","8115","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C40 H106 Co4 N16 O39 -","- C40 Co4 N16 O21.88 -","- C160 Co16 N64 O87.52 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.0916","0.0579","","","0.1632","0.184","","","","","","1.037","","","","has coordinates,has disorder","202555","2020-10-21","18:00:00",""
"4514264","19.959","0.003","19.959","0.003","20.408","0.004","90","","90","","90","","8130","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C36 H102 Co4 N16 O41 -","- C36 H44 Co4 N16 O24.34 -","- C144 H176 Co16 N64 O97.36 -","4","0.125","","Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed","Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.","ACS applied materials & interfaces","2017","9","39","33521","33527","10.1021/acsami.7b06010","","","0.71073","MoKα","","0.0885","0.0616","","","0.1706","0.1914","","","","","","1.022","","","","has coordinates","202556","2020-10-21","18:00:00",""
"4514265","26.2639","0.0005","33.4313","0.0006","18.7507","0.0003","90","","90","","90","","16463.8","0.5","103","2","103","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C66 H30 Cu6 N0 O36 S3 -","- C66 H30 Cu6 O36 S3 -","- C264 H120 Cu24 O144 S12 -","4","0.25","","Wang, Fei; Kusaka, Shinpei; Hijikata, Yuh; Hosono, Nobuhiko; Kitagawa, Susumu","Development of a Porous Coordination Polymer with a High Gas Capacity Using a Thiophene-Based Bent Tetracarboxylate Ligand.","ACS applied materials & interfaces","2017","9","39","33455","33460","10.1021/acsami.7b01568","","","0.71073","MoKα","","0.0565","0.0484","","","0.1573","0.1676","","","","","","1.016","","","","has coordinates","202557","2020-10-21","18:00:00",""
"4514266","21.7531","0.0019","22.563","0.002","8.8918","0.0007","90","","112.228","0.002","90","","4039.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cr2 N4 Ni O7 -","- C32 H24 Cr2 N4 Ni O7 -","- C128 H96 Cr8 N16 Ni4 O28 -","4","0.5","","Scott, Hayley S.; Shivanna, Mohana; Bajpai, Alankriti; Madden, David G.; Chen, Kai-Jie; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Space, Brian; Perry Iv, John J.; Zaworotko, Michael J.","Highly Selective Separation of C2H2 from CO2 by a New Dichromate-Based Hybrid Ultramicroporous Material.","ACS applied materials & interfaces","2017","9","39","33395","33400","10.1021/acsami.6b15250","","","0.71073","MoKα","","0.0794","0.0715","","","0.2091","0.214","","","","","","1.082","","","","has coordinates,has disorder","202558","2020-10-21","18:00:00",""
"4514267","22.024","0.004","27.633","0.006","14.31","0.003","90","","104.42","0.03","90","","8435","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H48 Co3 N13 O12 S2 -","- C74 H48 Co3 N13 O12 S2 -","- C296 H192 Co12 N52 O48 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1671","0.0847","","","0.2072","0.2469","","","","","","0.994","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514268","21.554","0.004","27.53","0.006","14.267","0.003","90","","102.58","0.03","90","","8263","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H80 Co3 N16 O18 S2 -","- C86 H80 Co3 N16 O18 S2 -","- C344 H320 Co12 N64 O72 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.06","0.0485","","","0.1173","0.1246","","","","","","1.078","","","","has coordinates,has disorder","202559","2020-10-21","18:00:00",""
"4514269","22.0413","0.0004","27.5063","0.0004","14.3847","0.0003","90","","105.334","0.002","90","","8410.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H48 Co3 N12 O12 S2 -","- C78 H48 Co3 N12 O12 S2 -","- C312 H192 Co12 N48 O48 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","1.54178","CuKα","","0.1309","0.1004","","","0.2782","0.3121","","","","","","1.014","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514270","21.839","0.004","27.394","0.006","14.628","0.003","90","","103.78","0.03","90","","8499","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H70 Co3 N14 O14 S2 -","- C88 H70 Co3 N14 O14 S2 -","- C352 H280 Co12 N56 O56 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1357","0.0765","","","0.1592","0.1857","","","","","","1.067","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514271","22.904","0.004","27.653","0.005","24.028","0.004","90","","149.19","0.008","90","","7795","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Co3 N12 O15.25 S2 -","- C66 H48 Co3 N12 O15.373 S2 -","- C264 H192 Co12 N48 O61.492 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1305","0.0907","","","0.2666","0.2883","","","","","","1.074","","","","has coordinates,has disorder","202559","2020-10-21","18:00:00",""
"4514272","12.585","0.003","17.882","0.004","18","0.004","100.378","0.007","98.456","0.009","97.805","0.006","3886","1.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.5 H53 Co3 N12 O17 S2 -","- C75.564 H52.782 Co3 N12 O16.798 S2 -","- C151.128 H105.564 Co6 N24 O33.596 S4 -","2","1","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.1937","0.1601","","","0.3682","0.3833","","","","","","1.073","","","","has coordinates,has disorder","202559","2020-10-21","18:00:00",""
"4514273","21.8639","0.0003","27.4335","0.0004","14.4179","0.0002","90","","104.099","0.002","90","","8387.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H48 Co3 N14 O14 S2 -","- C84 H48 Co3 N14 O14 S2 -","- C336 H192 Co12 N56 O56 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","1.54178","CuKα","","0.0868","0.0722","","","0.2257","0.241","","","","","","1.082","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514274","21.9027","0.0003","27.4875","0.0004","14.4136","0.0002","90","","104.617","0.001","90","","8396.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Co3 N16 O16 S2 -","- C88 H48 Co3 N16 O16 S2 -","- C352 H192 Co12 N64 O64 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","1.54178","CuKα","","0.0862","0.0692","","","0.1959","0.2121","","","","","","1.04","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514275","22.0702","0.0015","27.4461","0.0017","14.1594","0.001","90","","105.325","0.001","90","","8272","1","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H52 Co3 N15 O15 S2 -","- C86 H52 Co3 N15 O15 S2 -","- C344 H208 Co12 N60 O60 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.0842","0.0748","","","0.2341","0.2444","","","","","","1.058","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514276","21.9628","0.0013","27.4453","0.0015","14.1306","0.0008","90","","104.658","0.001","90","","8240.4","0.8","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89 H64 Co3 N15 O15 S2 -","- C89 H70 Co3 N15 O15 S2 -","- C356 H280 Co12 N60 O60 S8 -","4","0.5","","Chen, Qiang; Feng, Rui; Xu, Jian; Jia, Yan-Yuan; Wang, Ting-Ting; Chang, Ze; Bu, Xian-He","Kinetic and Thermodynamic Control of Structure Transformations in a Family of Cobalt(II)-Organic Frameworks.","ACS applied materials & interfaces","2017","9","40","35141","35149","10.1021/acsami.7b12925","","","0.71073","MoKα","","0.0578","0.0512","","","0.1404","0.1452","","","","","","1.012","","","","has coordinates","202559","2020-10-21","18:00:00",""
"4514295","38.586","0.006","38.586","0.006","29.661","0.006","90","","90","","120","","38245","11","100","2","100","2","","","","","","","","6","R -3 m","-R 3 2""","166","","","","- C30 H30 Cd2 Cl9 N20 O11.17 -","- C30 H30 Cd2 Cl9 N20 O11.1667 -","- C540 H540 Cd36 Cl162 N360 O201 -","18","","","Yao, Yu-Qing; Zhang, Ying-Jie; Zhang, Yun-Qian; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Multiple Efficient Fluorescence Emission from Cucurbit[10]uril-[Cd4Cl16]8‒Based Pillared Diamond Porous Supramolecular Frameworks.","ACS applied materials & interfaces","2017","9","46","40760","40765","10.1021/acsami.7b15673","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0532","0.0439","","","0.1374","0.1451","","","","","","1.031","","","","has coordinates","203975","2020-10-21","18:00:00",""
"4514303","37.914","0.003","37.914","0.003","29.541","0.002","90","","90","","120","","36775","5","296","2","296.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","","","Zhang, Tao; Hu, Yue-Qiao; Mo, Zong-Wen; Liao, Pei-Qin; Sakiyama, Hiroshi; Han, Tian; Chen, Xiao-Ming; Zheng, Yan-Zhen","Cobalt(II) Magnetic Metal-Organic Framework with an Effective Kagomé Lattice, Large Surface Area, and High Spin-Canted Ordering Temperature.","ACS applied materials & interfaces","2017","9","44","38181","38186","10.1021/acsami.7b10757","","","0.71073","MoKα","","0.0819","0.0583","","","0.1658","0.1888","","","","","","1.128","","","","has coordinates","203916","2020-10-21","18:00:00",""
"4514304","11.1897","0.0009","13.3772","0.0012","18.9706","0.0016","86.4062","0.0013","89.5645","0.0013","84.3179","0.0014","2820.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H6 Au Cl F9 O3 P -","- C6 H6 Au Cl F9 O3 P -","- C48 H48 Au8 Cl8 F72 O24 P8 -","8","4","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0332","0.0285","","","0.0746","0.0769","","","","","","1.041","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4514305","14.8743","0.0005","11.3479","0.0004","7.2893","0.0003","90","","90","","90","","1230.38","0.08","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H18 Au Br N3 P -","- C6 H18 Au Br N3 P -","- C24 H72 Au4 Br4 N12 P4 -","4","0.5","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0157","0.0119","","","0.0259","0.0264","","","","","","1.02","","","","has coordinates","203918","2020-10-21","18:00:00",""
"4514306","16.7653","0.001","21.4245","0.0013","8.369","0.0005","90","","99.527","0.001","90","","2964.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Au F9 I O3 P -","- C6 H6 Au F9 I O3 P -","- C48 H48 Au8 F72 I8 O24 P8 -","8","2","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0421","0.039","","","0.0961","0.0976","","","","","","1.189","","","","has coordinates,has disorder","203919","2020-10-21","18:00:00",""
"4514307","15.0773","0.001","11.4116","0.0008","7.5983","0.0005","90","","90","","90","","1307.33","0.15","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H18 Au I N3 P -","- C6 H18 Au I N3 P -","- C24 H72 Au4 I4 N12 P4 -","4","0.5","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0179","0.0165","","","0.0428","0.0432","","","","","","1.072","","","","has coordinates","203920","2020-10-21","18:00:00",""
"4514308","12.816","0.007","24.424","0.014","36.1","0.02","90","","90.887","0.008","90","","11299","11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Au8 Br8 F72 O24 P8 -","- C48 H46 Au8 Br8 F72 O24 P8 -","- C192 H184 Au32 Br32 F288 O96 P32 -","4","1","","Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa","Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.","ACS applied materials & interfaces","2017","9","46","40998","41005","10.1021/acsami.7b12465","","","0.71073","MoKα","","0.0764","0.0463","","","0.0902","0.1015","","","","","","1.048","","","","has coordinates,has disorder","203921","2020-10-21","18:00:00",""
"4514309","10.1","0.002","15.2","0.003","14.3","0.003","90","","104.5","0.03","90","","2125.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O8 Zn -","- C26 H16 N2 O8 Zn -","- C104 H64 N8 O32 Zn4 -","4","1","","Hu, Shuzhi; Zhang, Jie; Chen, Shuhuang; Dai, Jingcao; Fu, Zhiyong","Efficient Ultraviolet Light Detector Based on a Crystalline Viologen-Based Metal-Organic Framework with Rapid Visible Color Change under Irradiation.","ACS applied materials & interfaces","2017","9","46","39926","39929","10.1021/acsami.7b13367","","","0.71073","MoKα","","0.0744","0.045","","","0.1073","0.1413","","","","","","1.064","","","","has coordinates","203922","2020-10-21","18:00:00",""
"4514310","10.5888","0.0003","10.5888","0.0003","10.5888","0.0003","90","","90","","90","","1187.24","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al16 Ba8 Si30 -","- Al16.08 Ba8 Si29.92 -","- Al16.08 Ba8 Si29.92 -","1","0.0208333","","Zhao, Ran; Bobev, Svilen; Krishna, Lakshmi; Yang, Ting; Weller, J. Mark; Jing, Hangkun; Chan, Candace K.","Anodes for Lithium-Ion Batteries Based on Type I Silicon Clathrate Ba8Al16Si30 - Role of Processing on Surface Properties and Electrochemical Behavior.","ACS applied materials & interfaces","2017","9","47","41246","41257","10.1021/acsami.7b12810","","","0.71073","MoKα","","0.027","0.0197","","","0.0422","0.0451","","","","","","1.053","","","","has coordinates","203923","2020-10-21","18:00:00",""
"4514311","7.591","0.0005","17.6666","0.0012","15.5193","0.0011","90","","98.904","0.002","90","","2056.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Mn2 N2 O15 -","- C18 H16 Mn2 N2 O15 -","- C72 H64 Mn8 N8 O60 -","4","1","","Qin, Liang; Sun, Zi-Yan; Cheng, Kai; Liu, Shu-Wen; Pang, Jian-Xin; Xia, Li-Ming; Chen, Wen-Hua; Cheng, Zhen; Chen, Jin-Xiang","Zwitterionic Manganese and Gadolinium Metal-Organic Frameworks as Efficient Contrast Agents for in Vivo Magnetic Resonance Imaging.","ACS applied materials & interfaces","2017","9","47","41378","41386","10.1021/acsami.7b09608","","","0.71075","MoKα","","0.0743","0.0527","","","0.1004","0.107","","","","","","1.112","","","","has coordinates","203924","2020-10-21","18:00:00",""
"4514312","10.1468","0.0006","15.5239","0.0009","10.5159","0.0006","90","","102.202","0.001","90","","1619.02","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Gd N2 O15 -","- C9 H17 Gd N2 O15 -","- C36 H68 Gd4 N8 O60 -","4","1","","Qin, Liang; Sun, Zi-Yan; Cheng, Kai; Liu, Shu-Wen; Pang, Jian-Xin; Xia, Li-Ming; Chen, Wen-Hua; Cheng, Zhen; Chen, Jin-Xiang","Zwitterionic Manganese and Gadolinium Metal-Organic Frameworks as Efficient Contrast Agents for in Vivo Magnetic Resonance Imaging.","ACS applied materials & interfaces","2017","9","47","41378","41386","10.1021/acsami.7b09608","","","0.71073","MoKα","","0.0254","0.0236","","","0.0651","0.0668","","","","","","1.108","","","","has coordinates","203924","2020-10-21","18:00:00",""
"4514313","14.0588","0.0007","27.7078","0.0013","21.3914","0.001","90","","90","","90","","8332.8","0.7","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C46 H58 N4 Pt -","- C46 H58 N4 Pt -","- C368 H464 N32 Pt8 -","8","1","","Bullock, James D.; Salehi, Amin; Zeman, 4th, Charles J; Abboud, Khalil A.; So, Franky; Schanze, Kirk S.","In Search of Deeper Blues: Trans-N-Heterocyclic Carbene Platinum Phenylacetylide as a Dopant for Phosphorescent OLEDs.","ACS applied materials & interfaces","2017","9","47","41111","41114","10.1021/acsami.7b12107","","","0.71073","MoKα","","0.0304","0.0268","","","0.0665","0.0674","","","","","","1.085","","","","has coordinates,has disorder","203925","2020-10-21","18:00:00",""
"4514329","10.4611","0.0004","10.4724","0.0004","10.7499","0.0004","81.643","0.003","63.925","0.004","74.142","0.003","1017.12","0.08","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H56 Br7.06 I2.94 N8 Sn -","- C16 H56 Br7.056 I2.944 N8 Sn -","- C16 H56 Br7.056 I2.944 N8 Sn -","1","0.5","","Zhou, Chenkun; Tian, Yu; Yuan, Zhao; Lin, Haoran; Chen, Banghao; Clark, Ronald; Dilbeck, Tristan; Zhou, Yan; Hurley, Joseph; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Djurovich, Peter; Ma, Biwu","Highly Efficient Broadband Yellow Phosphor Based on Zero-Dimensional Tin Mixed-Halide Perovskite.","ACS applied materials & interfaces","2017","9","51","44579","44583","10.1021/acsami.7b12862","","","0.71073","MoKα","","0.056","0.046","","0.0529","0.051","0.0529","","","","","","0.9985","","","","has coordinates","204626","2020-10-21","18:00:00",""
"4514330","26.5159","0.0007","26.5159","0.0007","16.5671","0.0006","90","","90","","120","","10087.6","0.5","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C39 H29 Ho2 N O12 -","- C39 H29 Ho2 N O12 -","- C234 H174 Ho12 N6 O72 -","6","0.25","","Angeli, Giasemi K.; Sartsidou, Christina; Vlachaki, Styliani; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Kourtellaris, Andreas; Klontzas, Emmanuel; Froudakis, George E.; Tasiopoulos, Anastasios; Trikalitis, Pantelis N.","Reticular Chemistry and the Discovery of a New Family of Rare Earth (4, 8)-Connected Metal-Organic Frameworks with csq Topology Based on RE4(μ3-O)2(COO)8 Clusters.","ACS applied materials & interfaces","2017","9","51","44560","44566","10.1021/acsami.7b16380","","","1.54184","CuKα","","0.1307","0.1161","","","0.354","0.3866","","","","","","1.492","","","","has coordinates","204627","2020-10-21","18:00:00",""
"4514331","26.4725","0.0014","26.4725","0.0014","16.6116","0.0007","90","","90","","120","","10081.7","0.9","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C39 H29 N O12 Y2 -","- C39 H29 N O12 Y2 -","- C234 H174 N6 O72 Y12 -","6","0.25","","Angeli, Giasemi K.; Sartsidou, Christina; Vlachaki, Styliani; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Kourtellaris, Andreas; Klontzas, Emmanuel; Froudakis, George E.; Tasiopoulos, Anastasios; Trikalitis, Pantelis N.","Reticular Chemistry and the Discovery of a New Family of Rare Earth (4, 8)-Connected Metal-Organic Frameworks with csq Topology Based on RE4(μ3-O)2(COO)8 Clusters.","ACS applied materials & interfaces","2017","9","51","44560","44566","10.1021/acsami.7b16380","","","1.54184","CuKα","","0.159","0.1371","","","0.3982","0.4225","","","","","","1.514","","","","has coordinates","204628","2020-10-21","18:00:00",""
"4514406","11.6182","0.0003","17.9333","0.0002","12.329","0.0002","90","","115.788","0.002","90","","2312.95","0.08","150","0.1","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H49 Cl2 I O2 P2 Pd -","- C52 H49 Cl2 I O2 P2 Pd -","- C104 H98 Cl4 I2 O4 P4 Pd2 -","2","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","","1.54184","CuKα","","0.0588","0.0586","","","0.1576","0.1578","","","","","","1.051","","","","has coordinates","223175","2020-10-21","18:00:00",""
"4514407","7.15","0.0003","19.5691","0.0007","24.0399","0.0011","90","","90","","90","","3363.6","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cr N O5 P -","- C37 H36 Cr N O5 P -","- C148 H144 Cr4 N4 O20 P4 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0689","0.059","","","0.1589","0.169","","","","","","1.059","","","","has coordinates,has disorder","223175","2020-10-21","18:00:00",""
"4514408","11.7485","0.0003","26.0007","0.0009","18.5841","0.0006","90","","106.036","0.003","90","","5456","0.3","150","","150","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C62 H74.56 Ag O4.78 P2 -","- C62 H74.56 Ag O4.78 P2 -","- C248 H298.24 Ag4 O19.12 P8 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C–H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","0.71073","MoKα","","0.0813","0.0523","","","0.1157","0.125","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514409","6.4182","0.0003","21.7785","0.001","19.0994","0.0008","90","","96.787","0.003","90","","2651","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N O3 S -","- C31 H31 N O3 S -","- C124 H124 N4 O12 S4 -","4","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.1478","0.0786","","","0.1837","0.2264","","","","","","1.014","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514412","7.4511","0.001","12.8249","0.001","18.6937","0.001","90","","94.11","0.01","90","","1781.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Rh -","- C20 H26 Cl Rh -","- C80 H104 Cl4 Rh4 -","4","1","","Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B.","Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C–H Amidation Reactions","ACS Catalysis","2019","9","6","5474","","10.1021/acscatal.9b01338","","x-ray","0.71073","MoKα","","0.0221","0.0201","","","0.0477","0.0482","","","","","","1.197","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514413","7.46343","0.00007","12.81878","0.00013","18.68909","0.00019","90","","93.9187","0.0009","90","","1783.84","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Ir -","- C20 H26 Cl Ir -","- C80 H104 Cl4 Ir4 -","4","1","","Burman, Jacob S.; Harris, Robert J.; B. Farr, Caitlin M.; Bacsa, John; Blakey, Simon B.","Rh(III) and Ir(III)Cp* Complexes Provide Complementary Regioselectivity Profiles in Intermolecular Allylic C‒H Amidation Reactions","ACS Catalysis","2019","9","6","5474","","10.1021/acscatal.9b01338","","x-ray","0.71073","MoKα","","0.0366","0.029","","","0.0622","0.0641","","","","","","1.094","","","","has coordinates","223180","2020-10-21","18:00:00",""
"4514414","10.8842","0.0004","11.4192","0.0004","15.8101","0.0006","90","","104.557","0.003","90","","1901.94","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Br2 Co N3 -","- C15 H27 Br2 Co N3 -","- C60 H108 Br8 Co4 N12 -","4","1","","Pattanaik, Sandip; Gunanathan, Chidambaram","Cobalt-Catalyzed Selective Synthesis of Disiloxanes and Hydrodisiloxanes","ACS Catalysis","2019","9","6","5552","","10.1021/acscatal.9b00305","","x-ray","0.71073","MoKα","","0.1085","0.0554","","","0.1499","0.1761","","","","","","1.028","","","","has coordinates","223177","2020-10-21","18:00:00",""
"4514415","11.1449","0.0014","12.2086","0.0015","11.4303","0.0015","90","","107.468","0.002","90","","1483.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)–H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0773","0.0482","","","0.1459","0.1696","","","","","","0.999","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514416","8.7858","0.0016","9.9521","0.0018","13.706","0.004","100.933","0.004","94.003","0.004","112.813","0.003","1070.9","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C44 H50 N6 O8 -","2","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)–H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514417","15.251","0.002","10.6393","0.0016","19.017","0.003","90","","90","","90","","3085.7","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)–H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0562","0.0421","","","0.1342","0.1537","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514418","19.26","0.004","6.4425","0.0014","20.274","0.005","90","","100.533","0.004","90","","2473.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C120 H88 N24 O16 -","8","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)–H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0704","0.045","","","0.1361","0.1621","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514419","16.093","0.0013","9.8036","0.0006","6.9586","0.0006","90","","93.02","0.002","90","","1096.33","0.15","100","","100","","","","","","","","","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","","Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou","Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity","ACS Catalysis","2019","9","6","5562","","10.1021/acscatal.9b01535","","x-ray","0.71073","MoKα","","0.0258","0.0253","","","0.0686","0.0692","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514420","10.9656","0.0006","11.9509","0.0006","38.4007","0.0019","90","","90","","90","","5032.4","0.4","100","","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H60 Cl2 N2 P2 Ru -","- C59 H60 Cl2 N2 P2 Ru -","- C236 H240 Cl8 N8 P8 Ru4 -","4","1","","Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou","Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity","ACS Catalysis","2019","9","6","5562","","10.1021/acscatal.9b01535","","x-ray","0.71073","MoKα","","0.0253","0.0245","","","0.0583","0.0586","","","","","","1.096","","","","has coordinates","223179","2020-10-21","18:00:00",""
"4514611","6.264","0.002","9.621","0.004","11.639","0.004","91.385","0.006","96.47","0.006","100.453","0.006","684.7","0.4","150.15","","150.15","","","","","","","","","5","P 1","P 1","1","","","","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","- C29 H33 B O4 Si -","1","1","","Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen","Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes","ACS Catalysis","2019","9","10","9110","","10.1021/acscatal.9b02623","","","0.71073","MoKα","","0.0716","0.0564","","","0.1388","0.1493","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514612","15.155","0.002","17.531","0.003","22.268","0.003","90","","90","","90","","5916.2","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H63 Ir N2 O6 P2 -","- C72 H63 Ir N2 O6 P2 -","- C288 H252 Ir4 N8 O24 P8 -","4","1","","Kim, Seung Wook; Meyer, Cole C.; Mai, Binh Khanh; Liu, Peng; Krische, Michael J.","Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study","ACS Catalysis","2019","9","10","9158","","10.1021/acscatal.9b03695","","","0.71073","MoKα","","0.0261","0.0215","","","0.0353","0.0357","","","","","","1.045","","","","has coordinates,has disorder","219797","2020-10-21","18:00:00",""
"4514613","11.8365","0.0003","12.8133","0.0004","13.5157","0.0004","90","","90","","90","","2049.85","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Whyte, Andrew; Mirabi, Bijan; Torelli, Alexa; Prieto, Liher; Bajohr, Jonathan; Lautens, Mark","Asymmetric Synthesis of Boryl-Functionalized Cyclobutanols","ACS Catalysis","2019","9","10","9253","","10.1021/acscatal.9b03216","","","1.54178","CuKα","","0.0274","0.0269","","","0.0678","0.0685","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514614","9.6165","0.0014","11.7307","0.0019","12.572","0.0018","93.33","0.005","100.541","0.005","92.151","0.006","1390.3","0.4","170","2","169.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br F2 N O -","- C14 H14 Br F2 N O -","- C56 H56 Br4 F8 N4 O4 -","4","2","","Chen, Yuanjin; Li, Liangkui; He, Xiao; Li, Zhiping","Four-Component Reactions for the Synthesis of Perfluoroalkyl Isoxazoles","ACS Catalysis","2019","9","10","9098","","10.1021/acscatal.9b03189","","","0.71073","MoKα","","0.1684","0.0978","","","0.2424","0.2857","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514615","22.1057","0.0008","22.1057","0.0008","6.7305","0.0003","90","","90","","120","","2848.31","0.19","150","","150","","","","","","","","","5","P 65","P 65","170","","","","- C20 H17 N3 O Pd -","- C20 H17 N3 O Pd -","- C120 H102 N18 O6 Pd6 -","6","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0526","0.0425","","","0.081","0.0878","","","","","","1.051","","","","has coordinates","219801","2020-10-21","18:00:00",""
"4514616","9.6348","0.0003","10.7198","0.0003","11.5837","0.0003","105.639","0.002","103.125","0.002","104.695","0.003","1056.88","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 N3 O Pd -","- C23 N3 O Pd -","- C46 N6 O2 Pd2 -","2","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0505","0.0426","","","0.1244","0.1391","","","","","","1.224","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514617","8.8691","0.0005","10.1304","0.0006","12.2386","0.0008","105.617","0.005","100.765","0.005","93.916","0.005","1032.17","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N2 O2 -","- C24 H25 N2 O2 -","- C48 H50 N4 O4 -","2","1","","Agasti, Soumitra; Mondal, Bhaskar; Achar, Tapas Kumar; Sinha, Soumya Kumar; Sarala Suseelan, Anjana; Szabo, Kalman J.; Schoenebeck, Franziska; Maiti, Debabrata","Orthogonal Selectivity in C‒H Olefination: Synthesis of Branched Vinylarene with Unactivated Aliphatic Substitution","ACS Catalysis","2019","9","10","9606","","10.1021/acscatal.9b03019","","x-ray","0.71073","MoKα","","0.0938","0.0587","","","0.1417","0.1834","","","","","","1.066","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4514618","12.2416","0.0007","20.4922","0.0011","7.9382","0.0004","90","","91.862","0.005","90","","1990.3","0.19","100","","100","","","","","","","","synthetic","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 I N O2 S -","- C20 H26 I N O2 S -","- C80 H104 I4 N4 O8 S4 -","4","1","","Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A.","A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis","ACS Catalysis","2019","9","10","9568","","10.1021/acscatal.9b03190","","","0.6889","Synchrotron","","0.1421","0.0861","","0.263","0.2199","0.263","","","","","","0.99","","","","has coordinates","219804","2020-10-21","18:00:00",""
"4514619","6.30332","0.00004","11.85008","0.00009","28.71209","0.00018","90","","90","","90","","2144.65","0.03","100","","100","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 I O -","- C24 H35 I O -","- C96 H140 I4 O4 -","4","1","","Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A.","A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis","ACS Catalysis","2019","9","10","9568","","10.1021/acscatal.9b03190","","","0.6889","Synchrotron","","0.0402","0.0367","","0.0967","0.0948","0.0967","","","","","","0.9998","","","","has coordinates","219804","2020-10-21","18:00:00",""
"4514620","10.2291","0.0006","13.3412","0.0007","13.527","0.0007","87.464","0.002","88.582","0.002","80.599","0.002","1819.14","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 B O2 -","- C21 H25 B O2 -","- C84 H100 B4 O8 -","4","2","","Léonard, Nadia G.; Palmer, W. Neil; Friedfeld, Max R.; Bezdek, Máté J.; Chirik, Paul J.","Remote, Diastereoselective Cobalt-Catalyzed Alkene Isomerization–Hydroboration: Access to Stereodefined 1,3-Difunctionalized Indanes","ACS Catalysis","2019","9","10","9034","","10.1021/acscatal.9b03444","","","1.54178","CuKα","","0.0403","0.0393","","","0.1042","0.1053","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514621","11.4615","0.0014","5.5002","0.0006","12.6887","0.0013","90","","105.131","0.012","90","","772.17","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Yang, Hui; Wei, Guo; Jiang, Zhiyong","Access to Isoxazolidines through Visible-Light-Induced Difunctionalization of Alkenes","ACS Catalysis","2019","9","10","9599","","10.1021/acscatal.9b03567","","x-ray","1.54184","CuKα","","0.051","0.04","","","0.0923","0.1018","","","","","","1.081","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514622","17.95158","0.00009","10.14969","0.00005","23.05206","0.00013","90","","98.418","0.0005","90","","4154.9","0.04","99.96","0.1","99.96","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H57 F6 N5 O6 -","- C44 H57 F6 N5 O6 -","- C176 H228 F24 N20 O24 -","4","0.5","","Zhang, Yunfei; Jermaks, Janis; MacMillan, Samantha N.; Lambert, Tristan H.","Synthesis of 2H-Chromenes via Hydrazine-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis","ACS Catalysis","2019","9","10","9259","","10.1021/acscatal.9b03656","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0874","0.0879","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514623","15.492","0.005","24.393","0.005","18.535","0.005","90","","90","","90","","7004","3","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","ZCII_74","ZCII_74","","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C28 H46 Cl2 F3 Ir O5 P2 S -","- C224 H368 Cl16 F24 Ir8 O40 P16 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0787","0.0689","","","0.1401","0.1446","","","","","","1.203","","","","has coordinates,has disorder","219808","2020-10-21","18:00:00",""
"4514624","23.1713","0.0011","14.6301","0.0007","24.6604","0.0011","90","","90","","90","","8359.8","0.7","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H43 F3 O4 P4 Ru S -","- C44 H43 F3 O4 P4 Ru S -","- C352 H344 F24 O32 P32 Ru8 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0482","0.0331","","","0.0606","0.0661","","","","","","1.05","","","","has coordinates","219809","2020-10-21","18:00:00",""
"4514625","17.445","0.003","19.175","0.003","28.449","0.004","90","","95.41","0.009","90","","9474","3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 F6 N O6 P4 Ru S2 -","- C46 H45 F6 N O6 P4 Ru S2 -","- C368 H360 F48 N8 O48 P32 Ru8 S16 -","8","2","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0587","0.0368","","","0.0836","0.0938","","","","","","1.011","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514626","16.5246","0.0005","12.6284","0.0004","17.54","0.0005","90","","116.553","0.001","90","","3274.16","0.17","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Cl2 F3 Ir O4 P2 S -","- C27 H46 Cl2 F3 Ir O4 P2 S -","- C108 H184 Cl8 F12 Ir4 O16 P8 S4 -","4","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","x-ray","0.71073","MoKα","","0.0235","0.0195","","","0.0411","0.0422","","","","","","1.051","","","","has coordinates","219811","2020-10-21","18:00:00",""
"4514627","20.5001","0.0011","9.8972","0.0005","14.0168","0.0008","90","","114.293","0.002","90","","2592.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C120 H96 O16 S8 -","8","1","","Liu, Can; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun","RhCl3·3H2O-Catalyzed Ligand-Enabled Highly Regioselective Thiolation of Acrylic Acids","ACS Catalysis","2019","9","10","8910","","10.1021/acscatal.9b02982","","","0.71073","MoKα","","0.052","0.0367","","","0.0853","0.0975","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514628","8.7768","0.0007","9.4553","0.0006","11.5011","0.001","75.998","0.005","71.713","0.004","79.448","0.005","873.34","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F6 O9 S2 U -","- C9 H6 F6 O9 S2 U -","- C18 H12 F12 O18 S4 U2 -","2","1","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0353","0.0303","","","0.0689","0.0706","","","","","","1.053","","","","has coordinates","219813","2020-10-21","18:00:00",""
"4514629","5.6883","0.0004","12.7612","0.0011","16.5764","0.0015","102.634","0.004","94.632","0.005","96.374","0.005","1160.02","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 F12 O20 S4 U2 -","- C32 H24 F12 O20 S4 U2 -","- C32 H24 F12 O20 S4 U2 -","1","0.5","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C–O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0274","0.0248","","","0.0544","0.0552","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514630","9.2981","0.0004","22.059","0.0017","18.3163","0.0012","90","","102.709","0.004","90","","3664.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 F6 N3 O11 S2 U -","- C29 H33 F6 N3 O11 S2 U -","- C116 H132 F24 N12 O44 S8 U4 -","4","1","","Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes","ACS Catalysis","2019","9","10","9025","","10.1021/acscatal.9b01408","","","0.71073","MoKα","","0.0576","0.0367","","","0.082","0.0882","","","","","","1.048","","","","has coordinates,has disorder","219813","2020-10-21","18:00:00",""
"4514631","6.9609","0.0002","9.0105","0.0002","32.0299","0.0007","90","","90","","90","","2008.95","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Ma, Teng; Chen, Yate; Li, Yuxiu; Ping, Yuanyuan; Kong, Wangqing","Nickel-Catalyzed Enantioselective Reductive Aryl Fluoroalkenylation of Alkenes","ACS Catalysis","2019","9","10","9127","","10.1021/acscatal.9b03172","","","1.54178","CuKα","","0.0419","0.039","","","0.1009","0.1075","","","","","","1.143","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514632","12.5451","0.0002","25.5594","0.0004","15.6511","0.0003","90","","110.747","0.002","90","","4693.02","0.15","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H43.5 O4.75 -","- C24 H43.25 O4.75 -","- C192 H346 O38 -","8","4","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0522","0.0492","","","0.1236","0.1257","","","","","","1.099","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514633","13.3181","0.0012","6.9639","0.0004","17.0635","0.0015","90","","90.091","0.008","90","","1582.6","0.2","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0978","0.0588","","","0.1064","0.1226","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514634","18.1884","0.0004","10.5558","0.0002","25.3027","0.0007","90","","108.216","0.003","90","","4614.5","0.2","98","2","98","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N -","- C21 H17 N -","- C252 H204 N12 -","12","1.5","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0459","0.0431","","","0.1106","0.1129","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514635","8.8592","0.0003","22.189","0.0005","8.984","0.0003","90","","114.717","0.004","90","","1604.25","0.1","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N -","- C22 H19 N -","- C88 H76 N4 -","4","1","","Nguyen, Vu T.; Nguyen, Viet D.; Haug, Graham C.; Dang, Hang T.; Jin, Shengfei; Li, Zhiliang; Flores-Hansen, Carsten; Benavides, Brenda S.; Arman, Hadi D.; Larionov, Oleg V.","Alkene Synthesis by Photocatalytic Chemoenzymatically Compatible Dehydrodecarboxylation of Carboxylic Acids and Biomass","ACS Catalysis","2019","9","10","9485","","10.1021/acscatal.9b02951","","x-ray","0.71073","MoKα","","0.0554","0.0548","","","0.1185","0.1189","","","","","","1.058","","","","has coordinates,has disorder","219818","2020-10-21","18:00:00",""
"4514636","13.151","0.005","15.965","0.006","21.319","0.008","90","","91.921","0.006","90","","4474","3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H57 Cl Ni O2 P2 -","- C51 H57 Cl Ni O2 P2 -","- C204 H228 Cl4 Ni4 O8 P8 -","4","1","","McGuire, Ryan T.; Paffile, Julia F. J.; Zhou, Yuqiao; Stradiotto, Mark","Nickel-Catalyzed C‒N Cross-Coupling of Ammonia, (Hetero)anilines, and Indoles with Activated (Hetero)aryl Chlorides Enabled by Ligand Design","ACS Catalysis","2019","9","10","9292","","10.1021/acscatal.9b03715","","","0.71073","MoKα","","0.056","0.0421","","","0.1105","0.1206","","","","","","1.047","","","","has coordinates,has disorder","219819","2020-10-21","18:00:00",""
"4514637","22.2298","0.001","14.0027","0.0006","23.0551","0.0011","90","","102.788","0.001","90","","6998.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C159 H188 Cl4 N12 Rh4 -","- C159 H188 Cl4 N12 Rh4 -","- C318 H376 Cl8 N24 Rh8 -","2","0.5","","Azpíroz, Ramón; Di Giuseppe, Andrea; Urriolabeitia, Asier; Passarelli, Vincenzo; Polo, Victor; Pérez-Torrente, Jesús J.; Oro, Luis A.; Castarlenas, Ricardo","Hydride‒Rhodium(III)-N-Heterocyclic Carbene Catalyst for Tandem Alkylation/Alkenylation via C‒H Activation","ACS Catalysis","2019","9","10","9372","","10.1021/acscatal.9b01233","","","0.71073","MoKα","","0.0458","0.0335","","","0.0698","0.0752","","","","","","1.065","","","","has coordinates,has disorder","219820","2020-10-21","18:00:00",""
"4514638","11.5035","0.0002","10.7831","0.0002","13.3149","0.0002","90","","110.777","0.002","90","","1544.22","0.05","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H36 Fe N O3 P S -","- C34 H36 Fe N O3 P S -","- C68 H72 Fe2 N2 O6 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.073","0.0657","","","0.1623","0.1673","","","","","","1.036","","","","has coordinates","219821","2020-10-21","18:00:00",""
"4514639","8.8534","0.0001","12.6813","0.0001","18.9601","0.0002","90","","90","","90","","2128.7","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B O3 -","- C24 H29 B O3 -","- C96 H116 B4 O12 -","4","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.0321","0.0316","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514640","10.5036","0.0004","11.7796","0.0004","15.6619","0.0006","90","","106.748","0.004","90","","1855.62","0.12","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H37 Cl3 Fe N O2 P S -","- C38 H37 Cl3 Fe N O2 P S -","- C76 H74 Cl6 Fe2 N2 O4 P2 S2 -","2","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.074","0.0591","","","0.1464","0.1567","","","","","","0.998","","","","has coordinates","219823","2020-10-21","18:00:00",""
"4514641","19.9451","0.0016","11.5613","0.001","20.0794","0.0015","90","","94.241","0.002","90","","4617.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 N4 O4 Rh2 -","- C50 H60 N4 O4 Rh2 -","- C200 H240 N16 O16 Rh8 -","4","1","","Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent","Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period","ACS Catalysis","2019","9","8","7457","","10.1021/acscatal.9b01480","","","0.71073","MoKα","","0.1007","0.0431","","","0.0847","0.1019","","","","","","1.006","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514642","23.889","0.002","9.9822","0.001","19.624","0.002","90","","110.013","0.003","90","","4397.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 F20 N4 O5 Rh2 -","- C40 H26 F20 N4 O5 Rh2 -","- C160 H104 F80 N16 O20 Rh8 -","4","1","","Zhu, Weihao; Luo, Zhongwen; Chen, Junqi; Liu, Chang; Yang, Lu; Dickie, Diane A.; Liu, Naiming; Zhang, Sen; Davis, Robert J.; Gunnoe, T. Brent","Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period","ACS Catalysis","2019","9","8","7457","","10.1021/acscatal.9b01480","","","0.71073","MoKα","","0.1234","0.0526","","","0.1158","0.1519","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514643","24.2076","0.0004","27.078","0.0003","21.532","0.0003","90","","106.288","0.002","90","","13547.6","0.4","103","1","103","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C103 H224 Ni4 O32 Si8 -","- C103 H224 Ni4 O32 Si8 -","- C412 H896 Ni16 O128 Si32 -","4","1","","Moroz, Ilia B.; Lund, Alicia; Kaushik, Monu; Severy, Laurent; Gajan, David; Fedorov, Alexey; Lesage, Anne; Copéret, Christophe","Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites","ACS Catalysis","2019","9","8","7476","","10.1021/acscatal.9b01903","","x-ray","0.71073","MoKα","","0.0764","0.0443","","","0.0847","0.0948","","","","","","1.025","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514644","17.4715","0.0002","10.5472","0.0001","10.9763","0.0001","90","","90","","90","","2022.66","0.04","123","0.1","123","0.1","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C48 H60 Co Li N2 O -","- C48 H60 Co Li N2 O -","- C96 H120 Co2 Li2 N4 O2 -","2","0.5","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","x-ray","1.54184","CuKα","","0.0317","0.0307","","","0.0791","0.0801","","","","","","1.057","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514645","12.3103","0.0003","12.6855","0.0003","13.5302","0.0004","69.519","0.002","77.844","0.002","79.251","0.002","1920.22","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H53 Co N2 -","- C45 H53 Co N2 -","- C90 H106 Co2 N4 -","2","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","1.54184","CuKα","","0.0335","0.032","","","0.0814","0.0825","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514646","27.0266","0.0007","12.0329","0.0002","22.8033","0.0006","90","","113.047","0.003","90","","6823.9","0.3","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Co N2 -","- C36 H40 Br2 Co N2 -","- C288 H320 Br16 Co8 N16 -","8","2","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","x-ray","1.54184","CuKα","","0.0892","0.0857","","","0.236","0.2404","","","","","","1.057","","","","has coordinates","219827","2020-10-21","18:00:00",""
"4514648","25.0102","0.0002","21.4146","0.0002","30.8908","0.0003","90","","90","","90","","16544.6","0.3","138.2","0.6","138.2","0.6","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H121 Co2 Li N4 O4.5 -","- C88 H117 Co2 Li N4 O4 -","- C704 H936 Co16 Li8 N32 O32 -","8","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","1.54184","CuKα","","0.069","0.0623","","","0.1797","0.1864","","","","","","1.02","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514649","21.4917","0.0016","13.0279","0.001","29.987","0.002","90","","101.086","0.001","90","","8239.4","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H123 Co2 Li N4 O5 -","- C92 H123 Co2 Li N4 O5 -","- C368 H492 Co8 Li4 N16 O20 -","4","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","0.71073","MoKα","","0.065","0.0432","","","0.0994","0.11","","","","","","1.03","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514650","10.551","0.002","12.062","0.002","18.905","0.004","82.63","0.03","81.72","0.03","66.18","0.03","2171.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 B Br N2 P4 -","- C48 H44 B Br N2 P4 -","- C96 H88 B2 Br2 N4 P8 -","2","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0465","0.0391","","","0.1087","0.1249","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514651","11.496","0.002","12.374","0.003","20.858","0.004","97.02","0.03","94.81","0.03","111.71","0.03","2709","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H51 B Br Cl5 Fe O2 P4 -","- C54.5 H51 B Br Cl5 Fe O2 P4 -","- C109 H102 B2 Br2 Cl10 Fe2 O4 P8 -","2","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.1184","0.0864","","","0.2293","0.2538","","","","","","1.011","","","","has coordinates,has disorder","219829","2020-10-21","18:00:00",""
"4514652","12.7253","0.0009","10.5434","0.0007","21.3482","0.0014","90","","102.389","0.002","90","","2797.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 B Br Fe N2 O2 P4 -","- C18 H44 B Br Fe N2 O2 P4 -","- C72 H176 B4 Br4 Fe4 N8 O8 P16 -","4","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0634","0.0433","","","0.1033","0.1147","","","","","","1.032","","","","has coordinates,has disorder","219830","2020-10-21","18:00:00",""
"4514653","14.623","0.003","15.131","0.003","12.874","0.003","90","","90","","90","","2848.5","1","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H43 B Br Fe N2 O3 P4 -","- C19 H43 B Br Fe N2 O3 P4 -","- C76 H172 B4 Br4 Fe4 N8 O12 P16 -","4","1","","Bäcker, Andreas; Li, Yinwu; Fritz, Maximilian; Grätz, Maik; Ke, Zhuofeng; Langer, Robert","Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis","ACS Catalysis","2019","9","8","7300","","10.1021/acscatal.9b00882","","","0.71073","MoKα","","0.0736","0.0649","","","0.1729","0.1786","","","","","","1.078","","","","has coordinates,has disorder","219831","2020-10-21","18:00:00",""
"4514654","9.7666","0.0006","7.7835","0.0005","22.574","0.0015","90","","94.062","0.002","90","","1711.73","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 S -","- C18 H21 N O5 S -","- C72 H84 N4 O20 S4 -","4","1","","Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng","Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones","ACS Catalysis","2019","9","8","6738","","10.1021/acscatal.9b01347","","","0.71073","MoKα","","0.0454","0.038","","","0.1409","0.1505","","","","","","1.211","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514655","8.1162","0.0007","11.0214","0.0009","10.5496","0.0008","90","","91.17","0.002","90","","943.48","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N O6 S -","- C18 H23 N O6 S -","- C36 H46 N2 O12 S2 -","2","1","","Zhou, Kehan; Zhu, Yan; Fan, Weitai; Chen, Yujie; Xu, Xu; Zhang, Jingyu; Zhao, Yingsheng","Late-Stage Functionalization of Aromatic Acids with Aliphatic Aziridines: Direct Approach to Form β-Branched Arylethylamine Backbones","ACS Catalysis","2019","9","8","6738","","10.1021/acscatal.9b01347","","","0.71073","MoKα","","0.1036","0.0502","","","0.0886","0.1054","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514656","13.2477","0.0009","13.2477","0.0009","32.623","0.002","90","","90","","90","","5725.4","0.7","100","2","100","","","","","","","","","6","P 41","P 4w","76","","","","- C27 H48 Cl N2 P Ru -","- C27 H48 Cl N2 P Ru -","- C216 H384 Cl8 N16 P8 Ru8 -","8","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0319","0.0309","","","0.069","0.0697","","","","","","1.021","","","","has coordinates","219834","2020-10-21","18:00:00",""
"4514657","22.5581","0.0007","12.7798","0.0004","22.1335","0.0007","90","","113.18","0.001","90","","5865.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 F9 N2 P2 Ru -","- C24 H39 F9 N2 P2 Ru -","- C192 H312 F72 N16 P16 Ru8 -","8","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0468","0.0372","","","0.0948","0.104","","","","","","1.029","","","","has coordinates","219835","2020-10-21","18:00:00",""
"4514658","11.6853","0.0006","20.7278","0.001","21.1082","0.001","114.576","0.002","96.847","0.001","99.355","0.001","4487.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Cl4 F12 Ru4 -","- C40 H48 Cl4 F12 Ru4 -","- C160 H192 Cl16 F48 Ru16 -","4","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","x-ray","0.71073","MoKα","","0.0397","0.0285","","","0.0601","0.0654","","","","","","1.042","","","","has coordinates","219836","2020-10-21","18:00:00",""
"4514659","13.3641","0.0006","15.0206","0.0007","10.9602","0.0006","90","","93.975","0.002","90","","2194.82","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Cl N2 P Ru -","- C20 H34 Cl N2 P Ru -","- C80 H136 Cl4 N8 P4 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0773","0.0501","","","0.1004","0.112","","","","","","1.034","","","","has coordinates,has disorder","219837","2020-10-21","18:00:00",""
"4514660","22.7385","0.0008","13.1551","0.0005","9.5634","0.0003","90","","90","","90","","2860.67","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","ep371-3","","","- C24 H42 F6 N2 P2 Ru -","- C24 H42 F6 N2 P2 Ru -","- C96 H168 F24 N8 P8 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0702","0.0675","","","0.1755","0.1768","","","","","","1.218","","","","has coordinates","219838","2020-10-21","18:00:00",""
"4514661","13.915","0.003","14.954","0.004","10.922","0.003","90","","95.212","0.006","90","","2263.3","1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl F3 N2 P Ru -","- C20 H31 Cl F3 N2 P Ru -","- C80 H124 Cl4 F12 N8 P4 Ru4 -","4","1","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0635","0.0386","","","0.0672","0.0757","","","","","","1.013","","","","has coordinates,has disorder","219839","2020-10-21","18:00:00",""
"4514662","5.7084","0.0001","14.6112","0.0002","15.7856","0.0002","72.801","0.001","87.877","0.001","87.344","0.001","1256.02","0.03","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","","","","- C24.5 H0.5 Cl1.5 N2 O2 S3 -","- C24.5 H24.5 Cl1.5 N2 O2 S3 -","- C49 H49 Cl3 N4 O4 S6 -","2","2","","Liang, Yaoyu; Zhao, Xiaodan","Enantioselective Construction of Chiral Sulfides via Catalytic Electrophilic Azidothiolation and Oxythiolation of N-Allyl Sulfonamides","ACS Catalysis","2019","9","8","6896","","10.1021/acscatal.9b01900","","x-ray","1.54184","CuKα","","0.0576","0.0548","","","0.152","0.1558","","","","","","1.083","","","","has coordinates","219841","2020-10-21","18:00:00",""
"4514663","11.986","0.0007","9.3819","0.0006","21.7658","0.0013","90","","90","","90","","2447.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Fe N5 O7 S2 -","- C19 H32 Fe N5 O7 S2 -","- C76 H128 Fe4 N20 O28 S8 -","4","1","","Warner, Genoa R.; Somasundar, Yogesh; Jansen, Kyle C.; Kaaret, Evan Z.; Weng, Cindy; Burton, Abigail E.; Mills, Matthew R.; Shen, Longzhu Q.; Ryabov, Alexander D.; Pros, Gabrielle; Pintauer, Tomislav; Biswas, Saborni; Hendrich, Michael P.; Taylor, Julia A.; Vom Saal, Frederick S.; Collins, Terrence J.","Bioinspired, Multidisciplinary, Iterative Catalyst Design Creates the Highest Performance Peroxidase Mimics and the Field of Sustainable Ultradilute Oxidation Catalysis (SUDOC)","ACS Catalysis","2019","9","8","7023","","10.1021/acscatal.9b01409","","","0.71073","MoKα","","0.0853","0.0415","","","0.0992","0.1206","","","","","","0.627","","","","has coordinates","219842","2020-10-21","18:00:00",""
"4514664","10.3039","0.0015","11.9306","0.0018","12.985","0.002","90","","90.816","0.004","90","","1596.1","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","0.71073","MoKα","","0.0564","0.042","","","0.1247","0.1327","","","","","","1.278","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514665","10.2763","0.0006","11.8965","0.0006","12.9403","0.0007","90","","90.785","0.003","90","","1581.83","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","1.54178","CuKα","","0.0604","0.0561","","","0.1374","0.1411","","","","","","1.124","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514666","16.9269","0.0005","16.7619","0.0005","8.8583","0.0003","90","","91.738","0.001","90","","2512.18","0.14","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","- C108 H92 Cl12 N8 O4 -","1","0.25","","Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing","Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines","ACS Catalysis","2019","9","8","7335","","10.1021/acscatal.9b02081","","","1.54184","CuKα","","0.0317","0.0315","","","0.0811","0.0813","","","","","","1.071","","","","has coordinates","219845","2020-10-21","18:00:00",""
"4514667","9.89","0.003","9.938","0.003","18.564","0.005","90","","101.954","0.004","90","","1785","0.9","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 Br F3 N2 O3 -","- C18 H14 Br F3 N2 O3 -","- C72 H56 Br4 F12 N8 O12 -","4","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel–Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0449","0.0364","","","0.075","0.0792","","","","","","0.893","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514668","6.8271","0.001","16.06","0.002","29.396","0.004","90","","90","","90","","3223.1","0.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 Br3 N2 O3 -","- C38 H27 Br3 N2 O3 -","- C152 H108 Br12 N8 O12 -","4","1","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel–Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0745","0.049","","","0.1245","0.1481","","","","","","0.816","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514669","9.7248","0.0016","9.7248","","48.32","0.008","90","","90","","90","","4569.7","1.1","123","2","123","2","","","","","","","","6","P 41","P 4w","76","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C200 H200 Br8 N16 O16 S8 -","8","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel–Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.1232","0.0595","","","0.0818","0.1021","","","","","","0.971","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514670","15.8408","0.0008","13.142","0.0007","16.3982","0.0009","90","","98.987","0.002","90","","3371.9","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C176 H160 O16 -","8","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0411","0.0359","","","0.0917","0.096","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514671","15.6269","0.001","10.8792","0.0007","22.0724","0.0015","90","","100.839","0.002","90","","3685.5","0.4","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C200 H152 N8 O16 -","8","2","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0544","0.0386","","","0.0985","0.1086","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514672","8.2853","0.0005","31.984","0.0018","19.542","0.0011","90","","93.546","0.003","90","","5168.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O -","- C18 H11 N O -","- C288 H176 N16 O16 -","16","4","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0723","0.0616","","","0.1554","0.1615","","","","","","1.138","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514673","9.9466","0.0006","17.8664","0.001","9.4521","0.0005","90","","100.253","0.003","90","","1652.91","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0644","0.0424","","","0.1033","0.1177","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514674","7.861","0.002","9.282","0.003","9.934","0.003","83.675","0.009","72.702","0.009","85.815","0.009","687.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O -","- C19 H13 N O -","- C38 H26 N2 O2 -","2","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.049","0.0359","","","0.0888","0.0959","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514675","24.6109","0.0019","12.239","0.0008","14.7299","0.001","90","","98.22","0.003","90","","4391.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 O3 -","- C30 H22 O3 -","- C240 H176 O24 -","8","2","","Giri, Sovan Sundar; Liu, Rai-Shung","Copper-Catalyzed [4+2]-Cycloadditions of Isoxazoles with 2-Alkynylbenzaldehydes To Access Distinct α-Carbonylnaphthalene Derivatives: C(3,4)- versus C(4,5)-Regioselectivity at Isoxazoles","ACS Catalysis","2019","9","8","7328","","10.1021/acscatal.9b02323","","","0.71073","MoKα","","0.0825","0.0556","","","0.1356","0.1511","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514676","14.1394","0.0003","15.0162","0.0005","28.9031","0.0009","77.688","0.002","87.174","0.001","78.469","0.001","5874.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H55 B F4 N3 O5 P2 Rh -","- C54 H55 B F4 N3 O5 P2 Rh -","- C216 H220 B4 F16 N12 O20 P8 Rh4 -","4","2","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.051","0.0388","","","0.0961","0.1012","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514677","12.6207","0.0004","13.6039","0.0004","15.2008","0.0006","72.598","0.002","83.301","0.001","76.784","0.002","2421.15","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H49 B F4 N5 O5 P2 Rh -","- C50 H49 B F4 N5 O5 P2 Rh -","- C100 H98 B2 F8 N10 O10 P4 Rh2 -","2","1","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.0549","0.0342","","","0.0731","0.0796","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514678","14.1446","0.0005","25.4077","0.0011","15.6384","0.0005","90","","94.839","0.002","90","","5600.1","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H86 B2 F8 N6 O10 P4 Rh2 -","- C92 H86 B2 F8 N6 O10 P4 Rh2 -","- C184 H172 B4 F16 N12 O20 P8 Rh4 -","2","0.5","","Daubignard, Julien; Lutz, Martin; Detz, Remko J.; de Bruin, Bas; Reek, Joost N. H.","Origin of the Selectivity and Activity in the Rhodium-Catalyzed Asymmetric Hydrogenation Using Supramolecular Ligands","ACS Catalysis","2019","9","8","7535","","10.1021/acscatal.9b01809","","","0.71073","MoKα","","0.0834","0.0573","","","0.1435","0.1574","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514679","11.3502","0.0004","7.45","0.0002","20.6376","0.0006","90","","91.376","0.003","90","","1744.59","0.09","100.03","0.15","100.03","0.15","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 B Br N O2 -","- C17 H21 B Br N O2 -","- C68 H84 B4 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0536","0.0407","","","0.0861","0.0894","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514680","14.62776","0.00018","8.05742","0.0001","15.00218","0.00018","90","","97.0979","0.0012","90","","1754.64","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C80 H64 Br4 N4 O8 -","4","2","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","1.54184","CuKα","","0.0359","0.0322","","","0.0875","0.0942","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514681","9.8268","0.0005","5.6439","0.0003","9.8652","0.0005","90","","99.353","0.005","90","","539.86","0.05","99.95","0.17","99.95","0.17","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 I0.96 N O -","- C11 H10 I0.96 N O -","- C22 H20 I1.92 N2 O2 -","2","1","","Jia, Tao; Smith, Marshall J.; Pulis, Alexander P.; Perry, Gregory J. P.; Procter, David J.","Enantioselective and Regioselective Copper-Catalyzed Borocyanation of 1-Aryl-1,3-Butadienes","ACS Catalysis","2019","9","8","6744","","10.1021/acscatal.9b01911","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.2182","0.2365","","","","","","1.228","","","","has coordinates","219858","2020-10-21","18:00:00",""
"4514682","9.3121","0.0004","10.7025","0.0005","8.4772","0.0004","90","","97.201","0.004","90","","838.2","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O4 Pd -","- C14 H24 N2 O4 Pd -","- C28 H48 N4 O8 Pd2 -","2","0.5","","Feng, Wenhui; Wang, Tianyang; Liu, Dongzhi; Wang, Xiaotai; Dang, Yanfeng","Mechanism of the Palladium-Catalyzed C(sp3)–H Arylation of Aliphatic Amines: Unraveling the Crucial Role of Silver(I) Additives","ACS Catalysis","2019","9","8","6672","","10.1021/acscatal.9b01412","","x-ray","1.54184","CuKα","","0.0591","0.0576","","","0.1638","0.168","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514683","12.0088","0.0005","12.3492","0.0005","17.137","0.0007","101.431","0.001","106.142","0.001","105.372","0.001","2250.17","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","JZII104B","","","- C42 H35 F12 N11 P2 Pd2 -","- C42 H35 F12 N11 P2 Pd2 -","- C84 H70 F24 N22 P4 Pd4 -","2","1","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0363","0.0271","","","0.0632","0.0697","","","","","","1.068","","","","has coordinates,has disorder","219860","2020-10-21","18:00:00",""
"4514684","8.7896","0.0004","12.4079","0.0006","13.433","0.0007","108.517","0.001","105.407","0.001","103.424","0.002","1256.4","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","JZ-I-173B","","","- C25 H20 Cl F6 N4 O P Pd -","- C25 H20 Cl F6 N4 O P Pd -","- C50 H40 Cl2 F12 N8 O2 P2 Pd2 -","2","1","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0348","0.0283","","","0.0689","0.0722","","","","","","1.04","","","","has coordinates","219861","2020-10-21","18:00:00",""
"4514685","25.202","0.002","8.3844","0.0007","24.157","0.002","90","","108.454","0.0017","90","","4842","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","JZ-I-126B","","","- C45 H48 F12 N8 O3 P2 Pd2 -","- C45 H48 F12 N8 O3 P2 Pd2 -","- C180 H192 F48 N32 O12 P8 Pd8 -","4","0.5","","Zhu, Jiancheng; Lindsay, Vincent N. G.","Benzimidazolyl Palladium Complexes as Highly Active and General Bifunctional Catalysts in Sustainable Cross-Coupling Reactions","ACS Catalysis","2019","9","8","6993","","10.1021/acscatal.9b02420","","","0.71073","MoKα","","0.0467","0.0318","","","0.0748","0.0817","","","","","","1.07","","","","has coordinates,has disorder","219862","2020-10-21","18:00:00",""
"4514686","10.3636","0.0007","10.0648","0.0007","28.9197","0.0016","90","","99.7","0.006","90","","2973.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br F3 N3 O2 -","- C12 H11 Br F3 N3 O2 -","- C96 H88 Br8 F24 N24 O16 -","8","2","","Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An","Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines","ACS Catalysis","2019","9","5","4600","","10.1021/acscatal.9b00846","","","0.71073","MoKα","","0.1434","0.0748","","","0.1716","0.2088","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514687","17.29","0.03","4.519","0.007","20.77","0.03","90","","111.24","0.02","90","","1513","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl F3 N O2 -","- C15 H11 Cl F3 N O2 -","- C60 H44 Cl4 F12 N4 O8 -","4","1","","Chen, Zhen; Ren, Nan; Ma, Xiaoxiao; Nie, Jing; Zhang, Fa-Guang; Ma, Jun-An","Silver-Catalyzed [3 + 3] Dipolar Cycloaddition of Trifluorodiazoethane and Glycine Imines: Access to Highly Functionalized Trifluoromethyl-Substituted Triazines and Pyridines","ACS Catalysis","2019","9","5","4600","","10.1021/acscatal.9b00846","","","0.71073","MoKα","","0.1772","0.0786","","","0.204","0.2682","","","","","","0.949","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514688","11.5593","0.0011","7.8828","0.0007","27.35","0.003","90","","98.043","0.001","90","","2467.6","0.4","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N2 -","- C34 H26 N2 -","- C136 H104 N8 -","4","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Visible-Light-Triggered Monofluoromethylation of Alkenes by Strongly Reducing 1,4-Bis(diphenylamino)naphthalene Photoredox Catalysis","ACS Catalysis","2019","9","5","4382","","10.1021/acscatal.9b00473","","","0.71073","MoKα","","0.0408","0.0319","","","0.073","0.0773","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514689","9.0328","0.0003","9.506","0.0003","13.9771","0.0003","90.165","0.002","95.249","0.002","115.51","0.003","1077.42","0.06","140","0.1","140","0.1","","","","","","","","6","P 1","P 1","1","","","","- C21 H20 F3 N O5 S -","- C21 H20 F3 N O5 S -","- C42 H40 F6 N2 O10 S2 -","2","2","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton–Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0659","0.064","","","0.1717","0.1746","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514690","9.2464","0.0003","10.0773","0.0004","23.4808","0.0009","90","","90","","90","","2187.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C96 H100 N12 O16 -","4","1","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton–Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0517","0.0499","","","0.1297","0.1327","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514691","8.618","0.002","11.775","0.003","18.166","0.005","90","","103.293","0.003","90","","1794","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O -","- C25 H17 N O -","- C100 H68 N4 O4 -","4","1","","Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin","Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles","ACS Catalysis","2019","9","5","3906","","10.1021/acscatal.9b00470","","","0.71073","MoKα","","0.1023","0.0471","","","0.098","0.1226","","","","","","0.969","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514692","8.1125","0.0002","12.1517","0.0004","23.1044","0.0007","90","","90","","90","","2277.65","0.12","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N O -","- C31 H21 N O -","- C124 H84 N4 O4 -","4","1","","Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin","Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles","ACS Catalysis","2019","9","5","3906","","10.1021/acscatal.9b00470","","x-ray","1.54184","CuKα","","0.0541","0.044","","","0.1159","0.1371","","","","","","0.933","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514693","8.7123","0.0006","16.0813","0.0012","20.4271","0.0017","90","","90","","90","","2861.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N6 Ni O6 -","- C24 H46 N6 Ni O6 -","- C96 H184 N24 Ni4 O24 -","4","1","","Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni","Can Ni Complexes Behave as Molecular Water Oxidation Catalysts?","ACS Catalysis","2019","9","5","3936","","10.1021/acscatal.8b03953","","","0.71073","MoKα","","0.0602","0.0448","","","0.0985","0.1058","","","","","","1.028","","","","has coordinates","219870","2020-10-21","18:00:00",""
"4514694","55.552","0.006","6.2616","0.0008","15.8906","0.0017","90","","100.323","0.003","90","","5438","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H44 N6 Ni O9 -","- C21 H44 N6 Ni O9 -","- C168 H352 N48 Ni8 O72 -","8","1","","Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni","Can Ni Complexes Behave as Molecular Water Oxidation Catalysts?","ACS Catalysis","2019","9","5","3936","","10.1021/acscatal.8b03953","","","0.71073","MoKα","","0.1021","0.0677","","","0.1595","0.1819","","","","","","1.014","","","","has coordinates","219870","2020-10-21","18:00:00",""
"4514695","6.2208","0.0008","18.757","0.002","17.484","0.002","90","","93.268","0.003","90","","2036.8","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","1","","Han, Chunhua; Fu, Zhiyuan; Guo, Songjin; Fang, Xinxin; Lin, Aijun; Yao, Hequan","Palladium-Catalyzed Remote 1,n-Arylamination of Unactivated Terminal Alkenes","ACS Catalysis","2019","9","5","4196","","10.1021/acscatal.9b00688","","","0.71073","MoKα","","0.057","0.0419","","","0.1272","0.1436","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514696","20.138","0.002","13.1828","0.0013","24.998","0.002","90","","106.912","0.0016","90","","6349.4","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 F7 N2 O4 P Pd S -","- C58 H84 F7 N2 O4 P Pd S -","- C232 H336 F28 N8 O16 P4 Pd4 S4 -","4","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Pd-Catalyzed C‒N Coupling Reactions Facilitated by Organic Bases: Mechanistic Investigation Leads to Enhanced Reactivity in the Arylation of Weakly Binding Amines","ACS Catalysis","2019","9","5","3822","","10.1021/acscatal.9b00981","","","0.71073","MoKα","","0.0793","0.0562","","","0.1448","0.1609","","","","","","1.028","","","","has coordinates,has disorder","219872","2020-10-21","18:00:00",""
"4514697","13.159","0.002","15.396","0.003","21.596","0.004","90.092","0.004","92.283","0.004","101.727","0.004","4280.3","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H73.5 P2 Ru S -","- C43 H73.5 P2 Ru S -","- C172 H294 P8 Ru4 S4 -","4","2","","Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes","ACS Catalysis","2019","9","5","4072","","10.1021/acscatal.8b05172","","","0.71073","MoKα","","0.1021","0.066","","","0.1492","0.1674","","","","","","1.031","","","","has coordinates,has disorder","219873","2020-10-21","18:00:00",""
"4514698","13.2907","0.0013","15.6689","0.0014","18.8836","0.0018","90","","105.176","0.0019","90","","3795.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 P2 Ru S -","- C38 H62 P2 Ru S -","- C152 H248 P8 Ru4 S4 -","4","1","","Zhou, Xiaoguang; Malakar, Santanu; Zhou, Tian; Murugesan, Sathiyamoorthy; Huang, Carlos; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Catalytic Alkane Transfer Dehydrogenation by PSP-Pincer-Ligated Ruthenium. Deactivation of an Extremely Reactive Fragment by Formation of Allyl Hydride Complexes","ACS Catalysis","2019","9","5","4072","","10.1021/acscatal.8b05172","","","0.71073","MoKα","","0.0942","0.067","","","0.1354","0.1462","","","","","","1.079","","","","has coordinates,has disorder","219874","2020-10-21","18:00:00",""
"4514699","9.4966","0.001","9.593","0.0008","17.63","0.003","101.894","0.006","96.481","0.006","102.236","0.004","1515.2","0.3","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Br1.02 Fe P3 -","- C30 H41 Br1.0251 Fe P3 -","- C60 H82 Br2.0502 Fe2 P6 -","2","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0272","0.0232","","","0.0557","0.0573","","","","","","1.061","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514700","17.626","0.002","10.7764","0.0008","16.1774","0.0019","90","","98.63","0.003","90","","3038","0.5","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Fe N4 P3 -","- C30 H41 Fe N4 P3 -","- C120 H164 Fe4 N16 P12 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0583","0.0385","","","0.1013","0.1167","","","","","","1.114","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514701","22.4451","0.0018","12.1053","0.0006","25.482","0.002","90","","101.904","0.004","90","","6774.7","0.8","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H106 B2 F48 Fe2 N8 P6 -","- C129 H106 B2 F48 Fe2 N8 P6 -","- C258 H212 B4 F96 Fe4 N16 P12 -","2","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","1.54178","","","0.1178","0.0967","","","0.2546","0.2736","","","","","","1.021","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514702","10.4864","0.0006","23.9154","0.0017","17.8619","0.001","90","","93.645","0.003","90","","4470.5","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H65 Fe K N2 O6 P3 -","- C42 H65 Fe K N2 O6 P3 -","- C168 H260 Fe4 K4 N8 O24 P12 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.0682","0.046","","","0.0998","0.108","","","","","","1.062","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514703","25.9569","0.0013","17.0296","0.0009","12.1851","0.0006","90","","90","","90","","5386.2","0.5","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","P2PFeanion","","- C40 H61 Fe K N2 O4 P3 -","- C40 H61 Fe K N2 O4 P3 -","- C160 H244 Fe4 K4 N8 O16 P12 -","4","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.1162","0.1026","","","0.3059","0.3201","","","","","","1.123","","","","has coordinates,has disorder","219876","2020-10-21","18:00:00",""
"4514704","14.6713","0.0013","16.6256","0.0009","18.7129","0.0012","90","","102.506","0.003","90","","4456.1","0.5","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H130 Fe2 K4 N4 O6 P6 -","- C84 H130 Fe2 K4 N4 O6 P6 -","- C168 H260 Fe4 K8 N8 O12 P12 -","2","0.5","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","0.71073","MoKα","","0.1074","0.0569","","","0.1094","0.1263","","","","","","1.013","","","","has coordinates","219876","2020-10-21","18:00:00",""
"4514705","10.5863","0.0009","16.3326","0.0012","20.8095","0.0017","90","","90","","90","","3598","0.5","125","2","124.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Fe K N2 P3 Si -","- C33 H50 Fe K N2 P3 Si -","- C132 H200 Fe4 K4 N8 P12 Si4 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","1.54178","CuKα","","0.0873","0.067","","","0.149","0.1606","","","","","","1.062","","","","has coordinates","219876","2020-10-21","18:00:00",""
"4514706","8.3908","0.0002","20.0893","0.0006","14.6398","0.0004","90","","100.46","0.003","90","","2426.75","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N4 O2 Pd -","- C28 H26 N4 O2 Pd -","- C112 H104 N16 O8 Pd4 -","4","1","","Luo, Yun-Cheng; Yang, Chao; Qiu, Sheng-Qi; Liang, Qiu-Ju; Xu, Yun-He; Loh, Teck-Peng","Palladium(II)-Catalyzed Stereospecific Alkenyl C‒H Bond Alkylation of Allylamines with Alkyl Iodides","ACS Catalysis","2019","9","5","4271","","10.1021/acscatal.8b04415","","x-ray","1.54184","CuKα","","0.0861","0.0703","","","0.1842","0.1918","","","","","","1.019","","","","has coordinates","219877","2020-10-21","18:00:00",""
"4514707","9.5625","0.0005","11.3203","0.0004","24.4937","0.001","90","","90","","90","","2651.5","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 Co N4 O -","- C26 H28 Cl2 Co N4 O -","- C104 H112 Cl8 Co4 N16 O4 -","4","1","","Chen, Xu; Cheng, Zhaoyang; Lu, Zhan","Cobalt-Catalyzed Asymmetric Markovnikov Hydroboration of Styrenes","ACS Catalysis","2019","9","5","4025","","10.1021/acscatal.8b05135","","","0.71073","MoKα","","0.0523","0.0382","","","0.0763","0.0842","","","","","","1.061","","","","has coordinates","219878","2020-10-21","18:00:00",""
"4514708","10.2617","0.0002","16.0861","0.0002","17.7316","0.0002","100.697","0.001","90.004","0.001","105.821","0.001","2763.17","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H73 Ni2 O3 P2 -","- C63 H73 Ni2 O3 P2 -","- C126 H146 Ni4 O6 P4 -","2","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","","0.71073","MoKα","","0.091","0.0873","","","0.2546","0.2597","","","","","","1.126","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514709","8.6245","0.0011","9.0612","0.0012","20.838","0.002","84.848","0.01","88.901","0.009","62.929","0.013","1443.8","0.3","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Ni O2 P S -","- C32 H37 Ni O2 P S -","- C64 H74 Ni2 O4 P2 S2 -","2","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.1371","0.079","","","0.1384","0.1563","","","","","","1.023","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514710","22.1829","0.0013","9.2102","0.0007","15.4936","0.001","90","","94.271","0.006","90","","3156.7","0.4","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B Ni O3 P -","- C34 H42 B Ni O3 P -","- C136 H168 B4 Ni4 O12 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.1068","0.0907","","","0.2119","0.2211","","","","","","1.093","","","","has coordinates,has disorder","219879","2020-10-21","18:00:00",""
"4514711","8.8285","0.0006","20.3843","0.0015","17.3286","0.0013","90","","95.23","0.008","90","","3105.5","0.4","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B Ni O P -","- C36 H44 B Ni O P -","- C144 H176 B4 Ni4 O4 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","0.71073","MoKα","","0.0943","0.0672","","","0.1563","0.1692","","","","","","1.057","","","","has coordinates,has disorder","219879","2020-10-21","18:00:00",""
"4514712","8.8889","0.0003","15.1597","0.0004","17.8889","0.0005","91.217","0.002","96.831","0.002","90.693","0.002","2392.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 Ni P -","- C28 H31 Ni P -","- C112 H124 Ni4 P4 -","4","2","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.0634","0.0477","","","0.1227","0.1342","","","","","","1.078","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514713","16.7529","0.0001","10.1199","0.0001","14.6061","0.0001","90","","90","","90","","2476.28","0.03","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H30 Br Ni P -","- C28 H30 Br Ni P -","- C112 H120 Br4 Ni4 P4 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni‒O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.026","0.0221","","","0.0573","0.0595","","","","","","1.045","","","","has coordinates","219879","2020-10-21","18:00:00",""
"4514714","15.588","0.0007","10.6978","0.0005","14.1186","0.0007","90","","107.935","0.005","90","","2239.97","0.19","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B2 N O4 -","- C21 H31 B2 N O4 -","- C84 H124 B8 N4 O16 -","4","1","","Liu, Jianguo; Chen, Jia-Yi; Jia, Mengjing; Ming, Bangrong; Jia, Jiong; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang","Ni–O Cooperation versus Nickel(II) Hydride in Catalytic Hydroboration of N-Heteroarenes","ACS Catalysis","2019","9","5","3849","","10.1021/acscatal.8b05136","","x-ray","1.54184","CuKα","","0.0597","0.0539","","","0.1356","0.1413","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514715","9.5332","0.0003","9.5332","0.0003","19.5349","0.0008","90","","90","","120","","1537.51","0.09","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C23 H21 Br N2 O3 -","- C23 H21 Br N2 O3 -","- C69 H63 Br3 N6 O9 -","3","1","","Das, Tamal Kanti; Ghosh, Avik; Balanna, Kuruva; Behera, Pradipta; Gonnade, Rajesh G.; Marelli, Udaya Kiran; Das, Abhijit Kumar; Biju, Akkattu T.","N-Heterocyclic Carbene-Catalyzed Umpolung of Imines for the Enantioselective Synthesis of Dihydroquinoxalines","ACS Catalysis","2019","9","5","4065","","10.1021/acscatal.9b00737","","","0.71073","MoKα","","0.0205","0.0193","","","0.0478","0.048","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514716","8.3903","0.0003","17.9634","0.0005","9.3448","0.0003","90","","112.656","0.004","90","","1299.75","0.08","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 S2 -","- C14 H11 N O2 S2 -","- C56 H44 N4 O8 S8 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0443","0.0441","","","0.0885","0.0886","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514717","17.7962","0.0006","4.9199","0.0002","19.1526","0.0006","90","","105.417","0.003","90","","1616.57","0.1","98","2","98","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 Br2 N2 O2 S -","- C18 H10 Br2 N2 O2 S -","- C72 H40 Br8 N8 O8 S4 -","4","0.5","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0249","0.0232","","","0.064","0.0656","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514718","14.2892","0.0008","10.414","0.0005","7.4904","0.0004","90","","103.95","0.005","90","","1081.76","0.1","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0583","0.058","","","0.125","0.1251","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514719","18.9763","0.0008","13.5616","0.0003","24.1428","0.0006","90","","95.348","0.002","90","","6186.1","0.3","98","2","98","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C18 H10 Cl2 N2 S -","- C18 H10 Cl2 N2 S -","- C288 H160 Cl32 N32 S16 -","16","2","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0433","0.0422","","","0.1193","0.1203","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514720","14.4698","0.0006","5.8318","0.0003","11.9918","0.0006","90","","103.449","0.004","90","","984.18","0.08","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O2 S -","- C10 H8 Cl N O2 S -","- C40 H32 Cl4 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.046","0.0457","","","0.1115","0.1116","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514721","10.7209","0.0002","11.7327","0.0002","13.2944","0.0003","90","","97.17","0.002","90","","1659.16","0.06","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl N2 O4 S -","- C17 H15 Cl N2 O4 S -","- C68 H60 Cl4 N8 O16 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0386","0.0379","","","0.0815","0.0819","","","","","","0.991","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514722","8.3782","0.0002","8.266","0.0002","20.0756","0.0005","90","","97","0.002","90","","1379.96","0.06","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0403","0.0391","","","0.0881","0.0889","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514723","12.9582","0.0003","9.0843","0.0001","14.2001","0.0003","90","","108.155","0.002","90","","1588.37","0.06","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl2 N2 O2 S -","- C18 H10 Cl2 N2 O2 S -","- C72 H40 Cl8 N8 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0378","0.0372","","","0.091","0.0914","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514724","8.9497","0.001","9.3068","0.0014","15.389","0.0017","90","","90","","90","","1281.8","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0343","0.0333","","","0.0777","0.0783","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514725","8.2088","0.0003","24.9454","0.0006","6.8433","0.0002","90","","94.558","0.003","90","","1396.88","0.07","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0602","0.0595","","","0.1482","0.1487","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514726","7.6361","0.0002","13.7285","0.0004","14.864","0.0004","69.516","0.002","85.244","0.002","83.871","0.002","1449.62","0.07","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N2 O2 S -","- C18 H12 N2 O2 S -","- C72 H48 N8 O8 S4 -","4","2","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.042","0.0411","","","0.09","0.0906","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514727","7.5118","0.0004","8.3229","0.0005","12.1237","0.0008","84.045","0.005","88.396","0.005","77.487","0.005","735.96","0.08","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 F N O4 S -","- C17 H14 F N O4 S -","- C34 H28 F2 N2 O8 S2 -","2","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0393","0.0392","","","0.0837","0.0837","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514728","7.8092","0.0002","9.7669","0.0002","14.5366","0.0003","104.686","0.002","101.315","0.002","100.756","0.002","1018.49","0.04","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C44 H48 N4 O12 S2 -","2","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.05","0.0494","","","0.113","0.1134","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514729","15.7798","0.0003","11.6418","0.0002","22.199","0.0004","90","","106.677","0.002","90","","3906.54","0.13","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl N O2 S -","- C22 H22 Cl N O2 S -","- C176 H176 Cl8 N8 O16 S8 -","8","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0374","0.0372","","","0.0874","0.0875","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514730","8.3065","0.0017","16.337","0.003","7.6187","0.0015","90","","99.14","0.03","90","","1020.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I2 N4 Pd -","- C18 H20 I2 N4 Pd -","- C36 H40 I4 N8 Pd2 -","2","0.5","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9699","synchrotron","","0.0678","0.052","","","0.1172","0.1278","","","","","","1.074","","","","has coordinates","219895","2020-10-21","18:00:00",""
"4514731","18.486","0.004","9.2309","0.0019","20.682","0.004","90","","106.8","0.03","90","","3378.6","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Br4 Hg2 N4 -","- C26 H36 Br4 Hg2 N4 -","- C104 H144 Br16 Hg8 N16 -","4","0.5","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9626","synchrotron","","0.1232","0.0979","","","0.2224","0.2533","","","","","","0.951","","","","has coordinates","219896","2020-10-21","18:00:00",""
"4514732","10.648","0.002","20.021","0.004","12.134","0.002","90","","95.49","0.03","90","","2574.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Hg2 I4 N4 -","- C18 H20 Hg2 I4 N4 -","- C72 H80 Hg8 I16 N16 -","4","1","","Chernyshev, Victor M.; Astakhov, Alexander V.; Chikunov, Ilya E.; Tyurin, Roman V.; Eremin, Dmitry B.; Ranny, Gleb S.; Khrustalev, Victor N.; Ananikov, Valentine P.","Pd and Pt Catalyst Poisoning in the Study of Reaction Mechanisms: What Does the Mercury Test Mean for Catalysis?","ACS Catalysis","2019","9","4","2984","","10.1021/acscatal.8b03683","","","0.9699","synchrotron","","0.0907","0.0813","","","0.1763","0.1886","","","","","","0.86","","","","has coordinates","219897","2020-10-21","18:00:00",""
"4514733","39.446","0.002","39.446","0.002","16.4166","0.001","90","","90","","120","","22122","2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C102.56 H52 F2 O34 Zr6 -","- C102.56 H52 F2 O34 Zr6 -","- C307.68 H156 F6 O102 Zr18 -","3","0.125","","Liu, Jian; Li, Zhanyong; Zhang, Xuan; Otake, Ken-ichi; Zhang, Lin; Peters, Aaron W.; Young, Matthias J.; Bedford, Nicholas M.; Letourneau, Steven P.; Mandia, David J.; Elam, Jeffrey W.; Farha, Omar K.; Hupp, Joseph T.","Introducing Nonstructural Ligands to Zirconia-like Metal‒Organic Framework Nodes To Tune the Activity of Node-Supported Nickel Catalysts for Ethylene Hydrogenation","ACS Catalysis","2019","9","4","3198","","10.1021/acscatal.8b04828","","","0.71073","MoKα","","0.1251","0.0798","","","0.2346","0.2736","","","","","","1.068","","","","has coordinates,has disorder","219898","2020-10-21","18:00:00",""
"4514734","22.883","0.0008","9.2579","0.0003","21.1481","0.0008","90","","115.533","0.004","90","","4042.6","0.3","93","2","93","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C51 H53 Ni P2 -","- C51 H53 Ni P2 -","- C204 H212 Ni4 P8 -","4","1","","Charboneau, David J.; Brudvig, Gary W.; Hazari, Nilay; Lant, Hannah M. C.; Saydjari, Andrew K.","Development of an Improved System for the Carboxylation of Aryl Halides through Mechanistic Studies.","ACS catalysis","2019","9","4","3228","3241","10.1021/acscatal.9b00566","","","0.71073","MoKα","","0.1116","0.0566","","","0.0989","0.1163","","","","","","1.014","","","","has coordinates","219899","2020-10-21","18:00:00",""
"4514735","7.7672","0.0008","8.6398","0.0009","22.845","0.002","90","","90","","90","","1533.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Dai, Yuanwei; Tian, Baotong; Chen, Huan; Zhang, Qiang","Palladium-Catalyzed Stereospecific C-Glycosylation of Glycals with Vinylogous Acceptors","ACS Catalysis","2019","9","4","2909","","10.1021/acscatal.9b00336","","","0.71073","MoKα","","0.051","0.0402","","","0.0812","0.086","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514736","9.1154","0.0003","9.7854","0.0003","14.6304","0.0005","90","","96.443","0.004","90","","1296.76","0.07","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H37 N3 O4 Si -","- C22 H37 N3 O4 Si -","- C44 H74 N6 O8 Si2 -","2","1","","Zhan, Bei-Bei; Fan, Jun; Jin, Liang; Shi, Bing-Feng","Divergent Synthesis of Silicon-Containing Peptides via Pd-Catalyzed Post-Assembly γ-C(sp3)–H Silylation","ACS Catalysis","2019","9","4","3298","","10.1021/acscatal.9b00544","","","1.54184","CuKα","","0.0593","0.0526","","","0.1367","0.1478","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514737","14.5138","0.0002","18.5644","0.0003","21.462","0.0003","104.385","0.001","102.683","0.001","107.545","0.001","5062.15","0.14","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C89 H64 Al B2 F36 N O6 P4 Rh2 -","- C89 H64 Al B2 F36 N O6 P4 Rh2 -","- C178 H128 Al2 B4 F72 N2 O12 P8 Rh4 -","2","1","","Adams, Gemma M.; Ryan, David E.; Beattie, Nicholas A.; McKay, Alasdair I.; Lloyd-Jones, Guy C; Weller, Andrew S.","Dehydropolymerization of H<sub>3</sub>B·NMeH<sub>2</sub> Using a [Rh(DPEphos)]<sup>+</sup> Catalyst: The Promoting Effect of NMeH<sub>2</sub>.","ACS catalysis","2019","9","4","3657","3666","10.1021/acscatal.9b00081","","x-ray","1.54184","CuKα","","0.0717","0.0579","","","0.1577","0.173","","","","","","1.027","","","","has coordinates,has disorder","219902","2020-10-21","18:00:00",""
"4514738","11.8371","0.0009","14.1571","0.001","16.2044","0.0012","90","","99.776","0.003","90","","2676.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl F Ni P2 -","- C27 H36 Cl F Ni P2 -","- C108 H144 Cl4 F4 Ni4 P8 -","4","1","","Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.","Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.","ACS catalysis","2019","9","4","3304","3310","10.1021/acscatal.9b00744","","x-ray","0.71073","MoKα","","0.046","0.0304","","","0.0658","0.0708","","","","","","1.04","","","","has coordinates","219903","2020-10-21","18:00:00",""
"4514739","8.6752","0.0003","12.5702","0.0004","14.4059","0.0005","90","","101.795","0.001","90","","1537.78","0.09","100","","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C29 H42 F N Ni O3 P2 S -","- C29 H42 F N Ni O3 P2 S -","- C58 H84 F2 N2 Ni2 O6 P4 S2 -","2","0.5","","Russell, John E. A.; Entz, Emily D.; Joyce, Ian M.; Neufeldt, Sharon R.","Nickel-Catalyzed Stille Cross Coupling of C-O Electrophiles.","ACS catalysis","2019","9","4","3304","3310","10.1021/acscatal.9b00744","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0593","0.0613","","","","","","1.07","","","","has coordinates,has disorder","219904","2020-10-21","18:00:00",""
"4514740","15.4307","0.0005","22.1735","0.0008","10.8845","0.0003","90","","90","","90","","3724.2","0.2","120","","120","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H58 Co I N4 P2 Zr -","- C32 H58 Co I N4 P2 Zr -","- C128 H232 Co4 I4 N16 P8 Zr4 -","4","0.5","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0333","0.0283","","0.0668","0.0643","0.0668","","","","","","1.038","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514741","11.4073","0.0004","12.4796","0.0004","14.109","0.0004","100.063","0.002","97.493","0.002","112.211","0.002","1787.87","0.11","120","2","120","2","","","","","","","","7","P -1","-P 1","2","KG-595","","","- C56 H92 Co2 I6 N4 P4 Zr2 -","- C56 H92 Co2 I6 N4 P4 Zr2 -","- C56 H92 Co2 I6 N4 P4 Zr2 -","1","0.5","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0374","0.0263","","","0.0532","0.0563","","","","","","1.028","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514742","9.9663","0.0003","10.4166","0.0003","23.1907","0.0007","81.58","0.002","83.529","0.002","82.278","0.002","2349.34","0.12","120","2","120","2","","","","","","","","8","P -1","-P 1","2","KG872","","","- C45 H67 Co I N2 O P3 Zr -","- C45 H67 Co I N2 O P3 Zr -","- C90 H134 Co2 I2 N4 O2 P6 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.068","0.0426","","","0.0932","0.1039","","","","","","1.028","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514743","38.6599","0.0012","12.0858","0.0004","18.3535","0.0006","90","","103.833","0.002","90","","8326.7","0.5","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","KG_665","","","- C35 H65 Co I N2 O P3 Zr -","- C35 H65 Co I N2 O P3 Zr -","- C280 H520 Co8 I8 N16 O8 P24 Zr8 -","8","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.037","0.0263","","","0.0607","0.0653","","","","","","1.026","","","","has coordinates","219905","2020-10-21","18:00:00",""
"4514744","12.2182","0.0007","13.374","0.0007","16.9003","0.0009","70.756","0.002","71.3","0.002","74.862","0.002","2432.1","0.2","150.15","","150.15","","","","","","","","","8","P -1","-P 1","2","","C45H69CoIN2OP3Zr","","- C45 H69 Co I N2 O P3 Zr -","- C45 H69 Co I N2 O P3 Zr -","- C90 H138 Co2 I2 N4 O2 P6 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","x-ray","0.71073","MoKα","","0.0443","0.0332","","","0.0812","0.0894","","","","","","1.055","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514745","10.7474","0.0004","11.7734","0.0004","20.3607","0.0007","77.69","0.002","79.557","0.002","69.802","0.002","2345.95","0.15","120","2","120.06","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H64 Co I N2 O P2 Zr -","- C46 H64 Co I N2 O P2 Zr -","- C92 H128 Co2 I2 N4 O2 P4 Zr2 -","2","1","","Gramigna, Kathryn M.; Dickie, Diane A.; Foxman, Bruce M.; Thomas, Christine M.","Cooperative H2 Activation across a Metal‒Metal Multiple Bond and Hydrogenation Reactions Catalyzed by a Zr/Co Heterobimetallic Complex","ACS Catalysis","2019","9","4","3153","","10.1021/acscatal.8b04390","","","0.71073","MoKα","","0.0613","0.0397","","","0.0885","0.0971","","","","","","1.049","","","","has coordinates,has disorder","219905","2020-10-21","18:00:00",""
"4514746","6.5323","0.0002","24.418","0.0006","9.191","0.0002","90","","104.387","0.001","90","","1420.04","0.06","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 B N3 O4 -","- C31 H38 B N3 O4 -","- C62 H76 B2 N6 O8 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0483","0.0398","","","0.0878","0.0923","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514747","8.6104","0.0004","10.5955","0.0005","17.71","0.0009","90","","99.051","0.001","90","","1595.59","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 Pd -","- C17 H18 N2 O3 Pd -","- C68 H72 N8 O12 Pd4 -","4","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","0.71073","MoKα","","0.024","0.0214","","","0.0516","0.0529","","","","","","1.141","","","","has coordinates","219907","2020-10-21","18:00:00",""
"4514748","6.3743","0.0001","23.6017","0.0006","9.0486","0.0002","90","","101.68","0.002","90","","1333.12","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Liu, Zhen; Li, Xiaohan; Zeng, Tian; Engle, Keary M.","Directed, Palladium(II)-Catalyzed Enantioselective anti-Carboboration of Alkenyl Carbonyl Compounds","ACS Catalysis","2019","9","4","3260","","10.1021/acscatal.9b00181","","x-ray","1.54178","CuKα","","0.0255","0.0248","","","0.0607","0.0611","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514749","8.7707","0.0009","11.7137","0.0012","13.5892","0.0012","82.784","0.003","81.615","0.003","88.403","0.003","1370.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 N6 O10 Zn2 -","- C44 H40 N6 O10 Zn2 -","- C44 H40 N6 O10 Zn2 -","1","0.5","","Markad, Datta; Mandal, Sanjay K.","Design of a Primary-Amide-Functionalized Highly Efficient and Recyclable Hydrogen-Bond-Donating Heterogeneous Catalyst for the Friedel‒Crafts Alkylation of Indoles with β-Nitrostyrenes","ACS Catalysis","2019","9","4","3165","","10.1021/acscatal.8b04962","","","0.71073","MoKα","","0.0709","0.0593","","","0.185","0.1911","","","","","","1.173","","","","has coordinates","219909","2020-10-21","18:00:00",""
"4514750","30.115","0.003","11.645","0.002","20.4586","0.0019","90","","102.223","0.008","90","","7012","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 Cl F2 Ni P2 -","- C42 H33 Cl F2 Ni P2 -","- C336 H264 Cl8 F16 Ni8 P16 -","8","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan","Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization","ACS Catalysis","2019","9","4","2760","","10.1021/acscatal.8b04707","","","0.71073","MoKα","","0.0442","0.0323","","","0.0787","0.082","","","","","","1.029","","","","has coordinates","219910","2020-10-21","18:00:00",""
"4514751","16.868","0.001","20.0011","0.0013","26.7439","0.0018","90","","90","","90","","9022.8","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H58 F2 N Ni O2 P -","- C51 H58 F2 N Ni O2 P -","- C408 H464 F16 N8 Ni8 O16 P8 -","8","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan","Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization","ACS Catalysis","2019","9","4","2760","","10.1021/acscatal.8b04707","","","0.71073","MoKα","","0.1466","0.0583","","","0.0957","0.1326","","","","","","0.889","","","","has coordinates","219911","2020-10-21","18:00:00",""
"4514752","4.7773","0.0019","16.685","0.007","6.289","0.003","90","","104.66","0.01","90","","485","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C20 H18 Br2 O6 -","2","1","","Sawano, Takahiro; Yamamoto, Hisashi","Enantioselective Epoxidation of β,γ-Unsaturated Carboxylic Acids by a Cooperative Binuclear Titanium Complex","ACS Catalysis","2019","9","4","3384","","10.1021/acscatal.9b00840","","","0.71075","MoKα","","0.0372","0.0336","","","0.0733","0.0755","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514753","7.3331","0.0004","9.8564","0.0005","25.7259","0.0012","90","","90","","90","","1859.42","0.16","297.32","0.11","297.32","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O2 -","- C22 H19 Br N2 O2 -","- C88 H76 Br4 N8 O8 -","4","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita–Baylis–Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0616","0.059","","","0.1575","0.1617","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514754","11.3963","0.0002","10.25731","0.00018","13.268","0.0002","90","","95.0958","0.0016","90","","1544.84","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N4 O2 -","- C36 H32 Cl2 N4 O2 -","- C72 H64 Cl4 N8 O4 -","2","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita–Baylis–Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0597","0.0578","","","0.1513","0.1547","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514755","17.546","0.005","6.607","0.002","17.993","0.006","90","","115.207","0.005","90","","1887.2","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","2","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C–H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.1411","0.1256","","","0.344","0.3575","","","","","","2.082","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514756","9.162","0.006","10.694","0.007","22.484","0.014","90","","90","","90","","2203","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2507","0.1092","","","0.2459","0.3088","","","","","","1.129","","","","has coordinates","219916","2020-10-21","18:00:00",""
"4514757","6.556","0.002","13.237","0.004","25.625","0.008","90","","90","","90","","2223.8","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O3 S -","- C29 H21 N O3 S -","- C116 H84 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C–H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2742","0.161","","","0.3677","0.4328","","","","","","1.204","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514758","8.9405","0.0014","10.0639","0.0017","23.127","0.004","90","","90","","90","","2080.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O5 S -","- C23 H21 N O5 S -","- C92 H84 N4 O20 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C–H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.0622","0.0416","","","0.0937","0.1034","","","","","","0.953","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514759","24.679","0.002","24.679","0.002","9.5417","0.0008","90","","90","","120","","5032.8","0.7","100","","100","","","","","","","","","4","P -3","-P 3","147","","","","- C18 H16 Br2 O2 -","- C18 H16 Br2 O2 -","- C216 H192 Br24 O24 -","12","2","","Trost, Barry M.; Tracy, Jacob S.","Vanadium-Catalyzed Synthesis of Geometrically Defined Acyclic Tri- and Tetrasubstituted Olefins from Propargyl Alcohols","ACS Catalysis","2019","9","2","1584","","10.1021/acscatal.8b04567","","x-ray","0.71073","MoKα","","0.0776","0.0451","","","0.069","0.0788","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514760","8.5586","0.0002","8.9303","0.0002","9.6822","0.0002","76.723","0.001","86.703","0.001","85.126","0.001","717.08","0.03","170","2","169.99","","","","","","","","","6","P 1","P 1","1","","","","- C12.5 H16 Cl2 Co N1.5 O -","- C12 H16 Cl2 Co N2 O -","- C24 H32 Cl4 Co2 N4 O2 -","2","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0408","0.0369","","","0.0995","0.105","","","","","","0.81","","","","has coordinates","219920","2020-10-21","18:00:00",""
"4514761","9.7507","0.0002","13.413","0.0002","12.9181","0.0002","90","","90.316","0.001","90","","1689.48","0.05","170","2","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl2 Co N2 O -","- C16 H18 Cl2 Co N2 O -","- C64 H72 Cl8 Co4 N8 O4 -","4","2","","Wen, Huanan; Wang, Kuan; Zhang, Yanlu; Liu, Guixia; Huang, Zheng","Cobalt-Catalyzed Regio- and Enantioselective Markovnikov 1,2-Hydrosilylation of Conjugated Dienes","ACS Catalysis","2019","9","2","1612","","10.1021/acscatal.8b04481","","","1.34139","GaKα","","0.0333","0.0291","","","0.0599","0.0615","","","","","","0.992","","","","has coordinates","219921","2020-10-21","18:00:00",""
"4514762","25.1281","0.0009","6.268","0.0002","15.987","0.0006","90","","99.524","0.002","90","","2483.29","0.15","90","","90","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.48 H29.66 Cl1.27 N O3 -","- C29.483 H29.657 Cl1.275 N O3 -","- C117.932 H118.628 Cl5.1 N4 O12 -","4","1","","Trost, Barry M.; Hung, Chao-I Joey; Gnanamani, Elumalai","Tuning the Reactivity of Ketones through Unsaturation: Construction of Cyclic and Acyclic Quaternary Stereocenters via Zn-ProPhenol Catalyzed Mannich Reactions","ACS Catalysis","2019","9","2","1549","","10.1021/acscatal.8b04685","","x-ray","1.54178","CuKα","","0.043","0.0406","","","0.0989","0.1012","","","","","","1.054","","","","has coordinates,has disorder","219922","2020-10-21","18:00:00",""
"4514763","15.7797","0.0004","6.4246","0.0002","18.8309","0.0006","90","","114.711","0.002","90","","1734.23","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 O P -","- C22 H19 O P -","- C88 H76 O4 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","1.54178","CuKα","","0.0466","0.0452","","","0.1129","0.1141","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514764","10.6041","0.0014","11.5598","0.0016","19.577","0.003","90","","94.744","0.004","90","","2391.6","0.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 F2 N O2 P -","- C27 H26 F2 N O2 P -","- C108 H104 F8 N4 O8 P4 -","4","2","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.0618","0.0453","","","0.1044","0.1125","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514765","9.561","0.004","9.713","0.003","20.717","0.009","90","","90","","90","","1923.9","1.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O3 P -","- C24 H21 O3 P -","- C96 H84 O12 P4 -","4","1","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.036","0.0332","","","0.0777","0.0789","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514766","6.03","0.0002","19.3547","0.0008","9.0029","0.0003","90","","102.453","0.001","90","","1026","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","","Sim, Jaehoon; Campbell, Mark W.; Molander, Gary A.","Synthesis of α-Fluoro-α-Amino Acid Derivatives via Photoredox-Catalyzed Carbofluorination.","ACS catalysis","2019","9","2","1558","1563","10.1021/acscatal.8b04284","","","0.71073","MoKα","","0.0296","0.0279","","","0.0653","0.0664","","","","","","1.162","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514767","5.6039","0.0007","10.7509","0.0013","19.196","0.002","90","","90","","90","","1156.5","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Zheng, Pengfei; Wang, Chengpeng; Chen, Ying-Chun; Dong, Guangbin","Pd-Catalyzed Intramolecular α-Allylic Alkylation of Ketones with Alkynes: Rapid and Stereodivergent Construction of [3.2.1] Bicycles","ACS Catalysis","2019","9","6","5515","","10.1021/acscatal.9b00997","","","0.71073","MoKα","","0.0557","0.0489","","","0.126","0.1314","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514768","13.6599","0.0003","14.2563","0.0003","20.5882","0.0005","90","","90","","90","","4009.34","0.16","150","0.3","150","0.3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7DiPPZn(H)(THF) NTf2","","- C35 H51 F6 N3 O5 S2 Zn -","- C35 H51 F6 N3 O5 S2 Zn -","- C140 H204 F24 N12 O20 S8 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.0837","0.0625","","","0.1538","0.1787","","","","","","1.07","","","","has coordinates,has disorder","219928","2020-10-21","18:00:00",""
"4514769","19.3499","0.0009","20.6938","0.0007","20.4521","0.001","90","","105.975","0.005","90","","7873.2","0.6","150","0.3","150","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","7DiPPZnPhNTf2","","- C37 H47 F6 N3 O4 S2 Zn -","- C37 H47 F6 N3 O4 S2 Zn -","- C296 H376 F48 N24 O32 S16 Zn8 -","8","2","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.0935","0.0514","","","0.1181","0.1419","","","","","","1.028","","","","has coordinates","219929","2020-10-21","18:00:00",""
"4514770","10.0474","0.0006","16.5268","0.0015","16.5479","0.0014","117.002","0.009","106.69","0.006","94.539","0.006","2273.4","0.4","150","0.3","150","0.3","","","","","","","","8","P -1","-P 1","2","","[(7DiPP)Zn(H)NTf2]","","- C26.67 H32.67 Cl2 F4 N2 O2.67 S1.33 Zn0.67 -","- C26.6667 H32.6667 Cl2 F4 N2 O2.66667 S1.33333 Zn0.666667 -","- C80 H98 Cl6 F12 N6 O8 S4 Zn2 -","3","1.5","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.1204","0.0699","","","0.1601","0.1735","","","","","","0.942","","","","has coordinates,has disorder","219930","2020-10-21","18:00:00",""
"4514771","19.3717","0.001","16.9243","0.0007","27.5305","0.0016","90","","101.738","0.005","90","","8837.2","0.8","150","0.4","150","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N2 Zn -","- C47 H56 N2 Zn -","- C376 H448 N16 Zn8 -","8","2","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.1434","0.0631","","","0.1132","0.1432","","","","","","0.945","","","","has coordinates","219931","2020-10-21","18:00:00",""
"4514772","12.9149","0.0009","19.5194","0.0006","19.2829","0.0013","90","","133.379","0.012","90","","3533.1","0.8","150.03","0.1","150.03","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl2 N2 O1.5 Zn -","- C35 H54 Cl2 N2 O1.5 Zn -","- C140 H216 Cl8 N8 O6 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.0736","0.0467","","","0.0894","0.1012","","","","","","1.035","","","","has coordinates,has disorder","219932","2020-10-21","18:00:00",""
"4514773","20.3293","0.0008","9.7719","0.0004","18.4536","0.0008","90","","106.688","0.005","90","","3511.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(7DiPP)ZnPh2]","","- C41 H52 N2 Zn -","- C41 H52 N2 Zn -","- C164 H208 N8 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","","0.71073","MoKα","","0.0656","0.0415","","","0.0795","0.0886","","","","","","1.021","","","","has coordinates","219933","2020-10-21","18:00:00",""
"4514774","11.9544","0.0004","13.4764","0.0005","15.7416","0.0005","95.505","0.003","100.925","0.003","110.249","0.003","2299.96","0.15","149.9","0.3","149.9","0.3","","","","","","","","7","P -1","-P 1","2","","[IDiPPZnPh(THF)2][NTf2]","","- C43 H57 F6 N3 O6 S2 Zn -","- C43 H57 F6 N3 O6 S2 Zn -","- C86 H114 F12 N6 O12 S4 Zn2 -","2","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.079","0.0542","","","0.118","0.1343","","","","","","1.032","","","","has coordinates,has disorder","219934","2020-10-21","18:00:00",""
"4514775","9.663","0.0002","9.7186","0.0002","31.0442","0.0007","90","","90","","90","","2915.39","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko","Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes","ACS Catalysis","2019","9","6","5638","","10.1021/acscatal.9b00655","","","1.54178","CuKα","","0.0296","0.0295","","","0.0742","0.0743","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514776","13.6131","0.0004","35.785","0.0011","9.9738","0.0003","90","","90","","90","","4858.7","0.3","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H25 O3 P S -","- C27 H25 O3 P S -","- C216 H200 O24 P8 S8 -","8","2","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.0477","0.0377","","","0.0924","0.0993","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514777","12.1386","0.0012","16.1932","0.0015","15.8018","0.0015","90","","97.546","0.005","90","","3079.1","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 Dy F9 N4 O17 S3 -","- C46 H76 Dy F9 N4 O17 S3 -","- C92 H152 Dy2 F18 N8 O34 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","1.54178","CuKα","","0.056","0.0514","","","0.1334","0.1434","","","","","","1.013","","","","has coordinates","219937","2020-10-21","18:00:00",""
"4514778","12.1823","0.0013","16.5445","0.0019","16.408","0.0019","90","","101.368","0.004","90","","3242.2","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H84 F9 N4 O18 Pr S3 -","- C51 H84 F9 N4 O18 Pr S3 -","- C102 H168 F18 N8 O36 Pr2 S6 -","2","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0465","0.0427","","","0.1113","0.1141","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514779","15.6161","0.0016","19.6361","0.0019","21.6999","0.0019","90","","90","","90","","6654","1.1","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H82 F9 N4 O15 S3 Tm -","- C53 H82 F9 N4 O15 S3 Tm -","- C212 H328 F36 N16 O60 S12 Tm4 -","4","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0989","0.0674","","","0.1571","0.1817","","","","","","0.977","","","","has coordinates","219939","2020-10-21","18:00:00",""
"4514780","9.9449","0.0002","17.1268","0.0004","19.9556","0.0004","90","","90","","90","","3398.92","0.12","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 O P2 -","- C44 H40 O P2 -","- C176 H160 O4 P8 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","0.71073","MoKα","","0.05","0.0381","","","0.085","0.0895","","","","","","1.04","","","","has coordinates","219940","2020-10-21","18:00:00",""
"4514781","7.0791","0.0002","7.2172","0.0002","16.4881","0.0006","85.775","0.003","87.502","0.003","64.437","0.003","757.81","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C17 H11 Cr F O5 -","- C17 H11 Cr F O5 -","- C34 H22 Cr2 F2 O10 -","2","2","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1277","0.1284","","","","","","1.04","","","","has coordinates,has disorder","219941","2020-10-21","18:00:00",""
"4514782","11.209","0.008","13.582","0.007","13.728","0.008","60.753","0.017","79.38","0.02","76.89","0.02","1769.4","1.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H32 Cl2 N4 O -","- C43 H32 Cl2 N4 O -","- C86 H64 Cl4 N8 O2 -","2","1","","Takamatsu, Kazutaka; Hayashi, Yoshihiro; Kawauchi, Susumu; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Regioselective C–H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary","ACS Catalysis","2019","9","6","5336","","10.1021/acscatal.9b01145","","","0.71075","MoKα","","0.0941","0.0648","","","0.179","0.2029","","","","","","0.959","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514783","10.628","0.0004","11.4207","0.0004","12.9524","0.0005","65.936","0.002","85.626","0.002","72.954","0.002","1370.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N O2 S -","- C31 H31 N O2 S -","- C62 H62 N2 O4 S2 -","2","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.1193","0.0866","","","0.2621","0.2984","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514784","14.0088","0.0003","9.652","0.0002","19.0811","0.0004","90","","109.714","0.001","90","","2428.79","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Li, Man-Bo; Grape, Erik Svensson; Bäckvall, Jan-E.","Palladium-Catalyzed Stereospecific Oxidative Cascade Reaction of Allenes for the Construction of Pyrrole Rings: Control of Reactivity and Selectivity","ACS Catalysis","2019","9","6","5184","","10.1021/acscatal.9b01041","","","1.54178","CuKα","","0.0536","0.041","","","0.1071","0.1156","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514785","9.7201","0.0004","26.2838","0.001","5.4483","0.0002","90","","90","","90","","1391.94","0.09","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.0598","0.0495","","","0.1244","0.1435","","","","","","1.114","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514786","7.5559","0.0005","13.9087","0.0012","11.4271","0.0007","90","","90","","90","","1200.91","0.15","173","0.1","173","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.1727","0.1656","","","0.3673","0.394","","","","","","1.791","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514787","7.8048","0.0003","5.9454","0.0003","13.2408","0.0005","90","","92.593","0.004","90","","613.78","0.05","172.98","0.1","172.98","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N -","- C8 H6 N -","- C32 H24 N4 -","4","1","","Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng","Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation","ACS Catalysis","2019","9","7","6335","","10.1021/acscatal.9b01929","","x-ray","1.54184","CuKα","","0.0648","0.0523","","","0.1393","0.1581","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514788","7.262","0.0002","7.262","","41.516","0.001","90","","90","","90","","2189.41","0.08","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 F3 O2 -","- C11 H11 F3 O2 -","- C88 H88 F24 O16 -","8","1","","Kerdphon, Sutthichat; Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Eriksson, Lars; Andersson, Pher G.","Diastereo- and Enantioselective Synthesis of Structurally Diverse Succinate, Butyrolactone, and Trifluoromethyl Derivatives by Iridium-Catalyzed Hydrogenation of Tetrasubstituted Olefins","ACS Catalysis","2019","9","7","6169","","10.1021/acscatal.9b01508","","","1.54184","CuKα","","0.0285","0.0281","","","0.0777","0.078","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514789","8.98144","0.00012","9.10592","0.00011","35.9259","0.0004","90","","90","","90","","2938.17","0.06","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel–Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0351","0.0336","","","0.0932","0.0943","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514790","9.3678","0.0001","6.9408","0.0001","11.2829","0.0001","90","","93.95","0.001","90","","731.872","0.015","294.15","","294.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel–Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0746","0.0747","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514791","14.0443","0.0003","8.9519","0.0002","34.5515","0.0011","90","","90","","90","","4343.92","0.19","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","25 in manuscript","","","- C25 H22 I O P -","- C25 H22 I O P -","- C200 H176 I8 O8 P8 -","8","2","","Zhang, Lumin; Si, Xiaojia; Yang, Yangyang; Witzel, Sina; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Reductive C–C Coupling by Desulfurizing Gold-Catalyzed Photoreactions","ACS Catalysis","2019","9","7","6118","","10.1021/acscatal.9b01368","","","1.54178","CuKα","","0.0508","0.0491","","","0.1343","0.1369","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514792","20.1074","0.0019","16.9145","0.0016","25.426","0.002","90","","108.024","0.001","90","","8223.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 B2 Fe N12 -","- C40 H48 B2 Fe N12 -","- C320 H384 B16 Fe8 N96 -","8","1","","Isbill, Sara B.; Chandrachud, Preeti P.; Kern, Jesse L.; Jenkins, David M.; Roy, Sharani","Elucidation of the Reaction Mechanism of C<sub>2</sub> + N<sub>1</sub> Aziridination from Tetracarbene Iron Catalysts.","ACS catalysis","2019","9","7","6223","6233","10.1021/acscatal.9b01306","","","0.71073","MoKα","","0.0699","0.0577","","","0.2005","0.2069","","","","","","1.539","","","","has coordinates","219952","2020-10-21","18:00:00",""
"4514793","8.81332","0.00015","15.7101","0.0003","17.1127","0.0002","90","","102.781","0.0014","90","","2310.68","0.07","292","1","292","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Cl Ir N O -","- C24 H31 Cl Ir N O -","- C96 H124 Cl4 Ir4 N4 O4 -","4","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","1.54184","CuKα","","0.0596","0.0549","","","0.1414","0.1483","","","","","","1.053","","","","has coordinates","219953","2020-10-21","18:00:00",""
"4514794","11.5179","0.0003","13.5428","0.0006","18.483","0.0006","76.588","0.003","87.879","0.002","89.094","0.003","2802.44","0.17","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Ir N O2 -","- C32 H36 Ir N O2 -","- C128 H144 Ir4 N4 O8 -","4","2","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","0.71073","MoKα","","0.0541","0.0358","","","0.0669","0.0756","","","","","","1.035","","","","has coordinates","219954","2020-10-21","18:00:00",""
"4514795","10.7285","0.0002","17.9511","0.0007","18.0222","0.0006","90","","90","","90","","3470.87","0.19","296.31","0.1","296.31","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O S -","- C19 H21 N O S -","- C152 H168 N8 O8 S8 -","8","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C–H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","1.54184","CuKα","","0.1103","0.0865","","","0.2504","0.2749","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514796","7.1896","0.0002","13.9891","0.0006","17.894","0.0007","90","","90","","90","","1799.71","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C–H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","","1.54184","CuKα","","0.061","0.0582","","","0.1542","0.1603","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514797","10.6545","0.0005","10.6545","0.0005","15.1128","0.0007","90","","90","","90","","1715.58","0.14","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0348","0.0309","","","0.0692","0.0717","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514798","5.6073","0.0001","16.7309","0.0005","16.9207","0.0006","90","","90","","90","","1587.42","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0401","0.033","","","0.0707","0.0749","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514799","10.4266","0.0017","18.053","0.003","19.734","0.002","90","","90","","90","","3714.6","0.9","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C192 H176 N16 O8 -","8","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.1224","0.0584","","","0.1211","0.1541","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514800","8.7098","0.0006","8.9173","0.0005","13.0467","0.0009","90","","93.444","0.002","90","","1011.48","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C52 H48 N4 O2 -","2","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0829","0.0774","","","0.2062","0.2117","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514801","9.859","0.002","10.008","0.002","15.838","0.004","93.054","0.007","90.75","0.006","99.872","0.006","1537","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","2","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0846","0.0438","","","0.0984","0.1275","","","","","","1.118","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514802","6.5399","0.0001","23.9124","0.0003","9.103","0.0001","90","","102.293","0.001","90","","1390.93","0.03","294.15","","294.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C60 H72 B2 N6 O6 -","2","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0471","0.0446","","","0.1313","0.1339","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514803","9.0322","0.0001","9.0322","0.0001","68.9818","0.0006","90","","90","","90","","5627.58","0.1","294.15","","294.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H36 B N3 O3 -","- C30 H36 B N3 O3 -","- C240 H288 B8 N24 O24 -","8","1","","Bai, Zibo; Zheng, Sujuan; Bai, Ziqian; Song, Fangfang; Wang, Hao; Peng, Qian; Chen, Gong; He, Gang","Palladium-Catalyzed Amide-Directed Enantioselective Carboboration of Unactivated Alkenes Using a Chiral Monodentate Oxazoline Ligand","ACS Catalysis","2019","9","7","6502","","10.1021/acscatal.9b01350","","x-ray","1.54184","CuKα","","0.0617","0.0584","","","0.1624","0.1657","","","","","","1.033","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514804","12.8072","0.0005","13.6963","0.0004","17.6483","0.0006","90","","110.451","0.004","90","","2900.59","0.19","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O S2 -","- C34 H36 O S2 -","- C136 H144 O4 S8 -","4","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.067","0.0614","","","0.1629","0.1712","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514805","7.9503","0.0008","8.3038","0.0008","12.6012","0.0011","78.352","0.008","79.15","0.008","72.944","0.009","771.51","0.13","295.9","0.6","295.9","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 S2 -","- C19 H14 S2 -","- C38 H28 S4 -","2","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0733","0.0688","","","0.1976","0.2061","","","","","","1.058","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514806","16.653","0.0004","5.92231","0.00013","33.4022","0.0009","90","","104.977","0.003","90","","3182.36","0.14","291.3","0.8","291.3","0.8","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 O S2 -","- C19 H14 O S2 -","- C152 H112 O8 S16 -","8","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0703","0.0671","","","0.1765","0.1798","","","","","","1.14","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514807","7.74658","0.00018","14.0941","0.0003","9.1196","0.0002","90","","108.015","0.003","90","","946.87","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl Rh S -","- C21 H24 Cl Rh S -","- C42 H48 Cl2 Rh2 S2 -","2","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0512","0.0508","","","0.1311","0.1319","","","","","","1.034","","","","has coordinates","219968","2020-10-21","18:00:00",""
"4514808","3.95493","0.00011","12.7072","0.0003","25.5848","0.0007","90","","91.496","0.002","90","","1285.35","0.06","295.49","0.18","295.49","0.18","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C72 H40 S8 -","4","1","","Yang, Shiping; Cheng, Rui; Zhang, Min; Bin, Zhengyang; You, Jingsong","Rh/Ag-Mediated Peri-Selective Heteroarylation/Single Electron Transfer Annulation Cascade of 1-(Methylthio)naphthalenes and Analogues: Road Less Traveled to Benzo[de]thioacenes","ACS Catalysis","2019","9","7","6188","","10.1021/acscatal.9b01426","","x-ray","1.54184","CuKα","","0.0626","0.0575","","","0.1491","0.1547","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514809","11.208","0.0012","13.909","0.003","19.199","0.003","69.17","0.05","83.14","0.02","71.15","0.03","2647.3","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Moris569 (Sayantani)","","","- C42 H78 N6 O Si6 Th -","- C42 H78 N6 O Si6 Th -","- C84 H156 N12 O2 Si12 Th2 -","2","1","","Saha, Sayantani; Eisen, Moris S.","Catalytic Recycling of a Th–H Bond via Single or Double Hydroboration of Inactivated Imines or Nitriles","ACS Catalysis","2019","9","7","5947","","10.1021/acscatal.9b01399","","","0.71073","MoKα","","0.0333","0.0273","","","0.0623","0.064","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514810","9.946","0.002","9.088","0.002","10.222","0.002","90","","102.351","0.003","90","","902.6","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F2 O2 -","- C10 H10 F2 O2 -","- C40 H40 F8 O8 -","4","1","","Nakayama, Yoshiki; Ando, Gaku; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis: Step-Economical Synthesis of α-CF2H-Substituted Ketones in Flow","ACS Catalysis","2019","9","7","6555","","10.1021/acscatal.9b01312","","","0.71073","MoKα","","0.0363","0.0321","","","0.0856","0.0882","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514811","25.8841","0.001","7.333","0.0002","6.343","0.0002","90","","90","","90","","1203.95","0.07","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0394","0.0343","","","0.0776","0.0804","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514812","5.5974","0.0005","16.9126","0.0019","19.3211","0.0017","90","","90.056","0.007","90","","1829.1","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","2","","Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.","Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis","ACS Catalysis","2019","9","9","8835","","10.1021/acscatal.9b02458","","","0.71073","MoKα","","0.0921","0.0544","","","0.1143","0.1299","","","","","","0.939","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514813","17.0655","0.0002","17.2352","0.0004","23.1949","0.0003","90","","95.16","0.001","90","","6794.6","0.2","99.99","0.13","99.99","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C93 H84 F3 O31 P4 S Yb2 -","- C93 H84 F3 O31 P4 S Yb2 -","- C186 H168 F6 O62 P8 S2 Yb4 -","2","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","0.71073","MoKα","","0.0732","0.0595","","","0.1599","0.1694","","","","","","1.078","","","","has coordinates","219974","2020-10-21","18:00:00",""
"4514814","5.78428","0.00003","12.07053","0.00005","25.84988","0.0001","90","","90","","90","","1804.82","0.014","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor–Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","1.54184","CuKα","","0.0232","0.0229","","","0.0592","0.0594","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514815","15.7548","0.0002","8.5218","0.0001","17.5186","0.0002","90","","91.195","0.001","90","","2351.52","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 B F15 N O -","- C25 H9 B F15 N O -","- C100 H36 B4 F60 N4 O4 -","4","1","","Meng, Shan-Shui; Tang, Xiaowen; Luo, Xiang; Wu, Ruibo; Zhao, Jun-Ling; Chan, Albert S. C.","Borane-Catalyzed Chemoselectivity-Controllable N-Alkylation and ortho C-Alkylation of Unprotected Arylamines Using Benzylic Alcohols","ACS Catalysis","2019","9","9","8397","","10.1021/acscatal.9b03038","","","1.54184","CuKα","","0.0354","0.0324","","","0.0833","0.0859","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514816","11.7663","0.0002","12.5195","0.0002","15.6679","0.0001","101.971","0.001","95.869","0.001","117.925","0.002","1941.11","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H55 Au N O2 P -","- C44 H55 Au N O2 P -","- C88 H110 Au2 N2 O4 P2 -","2","1","","Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.","Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates","ACS Catalysis","2019","9","9","7862","","10.1021/acscatal.9b02275","","x-ray","0.71073","MoKα","","0.0325","0.0278","","","0.0569","0.0591","","","","","","1.035","","","","has coordinates","219977","2020-10-21","18:00:00",""
"4514817","12.35599","0.00018","11.5441","0.00018","17.5685","0.0003","90","","98.0363","0.0014","90","","2481.34","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Au N O2 P -","- C30 H25 Au N O2 P -","- C120 H100 Au4 N4 O8 P4 -","4","1","","Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.","Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates","ACS Catalysis","2019","9","9","7862","","10.1021/acscatal.9b02275","","x-ray","0.71073","MoKα","","0.0354","0.0299","","","0.0651","0.0691","","","","","","1.063","","","","has coordinates","219978","2020-10-21","18:00:00",""
"4514818","8.803","0.002","5.4591","0.0011","15.567","0.005","90","","104.94","0.02","90","","722.8","0.3","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O -","- C19 H20 O -","- C38 H40 O2 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","","1.54178","CuKα","","0.0562","0.0506","","","0.1385","0.1466","","","","","","1.182","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514819","9.7213","0.00019","9.12937","0.00016","12.1367","0.0003","90","","102.827","0.002","90","","1050.24","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dioxoisoindolin-2-yl (1R,2S)-2-(4-chlorophenyl)-1-phenylcyclopropane-1-carboxylate","","- C24 H16 Br N O4 -","- C24 H16 Br N O4 -","- C48 H32 Br2 N2 O8 -","2","1","","Yu, Zhunzhun; Mendoza, Abraham","Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates","ACS Catalysis","2019","9","9","7870","","10.1021/acscatal.9b02615","","x-ray","1.54184","CuKα","","0.0572","0.048","","","0.1226","0.1396","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514820","39.582","0.003","6.6842","0.0005","13.9095","0.0008","90","","97.656","0.002","90","","3647.3","0.4","99.95","","99.95","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 N3 O -","- C25 H15 N3 O -","- C200 H120 N24 O8 -","8","1","","Tian, Cong; Dhawa, Uttam; Scheremetjew, Alexej; Ackermann, Lutz","Cupraelectro-Catalyzed Alkyne Annulation: Evidence for Distinct C–H Alkynylation and Decarboxylative C–H/C–C Manifolds","ACS Catalysis","2019","9","9","7690","","10.1021/acscatal.9b02348","","","0.71073","MoKα","","0.0479","0.041","","","0.1015","0.109","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514821","10.9605","0.0011","9.5967","0.001","11.9487","0.0013","90","","93.832","0.005","90","","1254","0.2","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1319","0.129","","","0.2936","0.3018","","","","","","1.394","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514822","23.054","0.002","8.4318","0.0009","7.3235","0.0007","90","","90","","90","","1423.6","0.2","253","2","253","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1097","0.1012","","","0.2707","0.2796","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514823","12.827","0.002","20.383","0.003","5.0473","0.0008","90","","96.027","0.009","90","","1312.3","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.1428","0.1184","","","0.2991","0.3188","","","","","","1.114","","","","has coordinates,has disorder","219984","2020-10-21","18:00:00",""
"4514824","31.2814","0.0016","6.1424","0.0004","15.8248","0.0009","90","","111.709","0.003","90","","2825","0.3","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","","Pang, Hailiang; Wu, Dong; Cong, Hengjiang; Yin, Guoyin","Stereoselective Palladium-Catalyzed 1,3-Arylboration of Unconjugated Dienes for Expedient Synthesis of 1,3-Disubstituted Cyclohexanes","ACS Catalysis","2019","9","9","8555","","10.1021/acscatal.9b02747","","","1.54178","CuKα","","0.0875","0.0795","","","0.2191","0.2344","","","","","","1.055","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514825","23.1742","0.0003","9.9101","0.0001","9.2756","0.0001","90","","90","","90","","2130.22","0.04","85","2","85","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl Cu N3 O4 -","- C19 H28 Cl Cu N3 O4 -","- C76 H112 Cl4 Cu4 N12 O16 -","4","1","","Hunt, Andrew P.; Batka, Allison E.; Hosseinzadeh, Marjan; Gregory, Jordan D.; Haque, Halima K.; Ren, Hang; Meyerhoff, Mark E.; Lehnert, Nicolai","Nitric Oxide Generation On Demand for Biomedical Applications via Electrocatalytic Nitrite Reduction by Copper BMPA- and BEPA-Carboxylate Complexes.","ACS catalysis","2019","9","9","7746","7758","10.1021/acscatal.9b01520","","","1.54184","CuKα","","0.0437","0.0434","","","0.1224","0.1228","","","","","","1.051","","","","has coordinates","219986","2020-10-21","18:00:00",""
"4514826","20.5401","0.0017","12.5368","0.001","16.2915","0.0013","90","","100.551","0.001","90","","4124.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Ir N4 -","- C50 H52 Ir N4 -","- C200 H208 Ir4 N16 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0269","0.0212","","","0.0482","0.0504","","","","","","1.022","","","","has coordinates","219987","2020-10-21","18:00:00",""
"4514827","10.1805","0.0007","13.1835","0.0009","14.4356","0.001","85.2561","0.001","69.5849","0.0009","77.2239","0.0009","1770.8","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H42 Ir N6 -","- C43 H42 Ir N6 -","- C86 H84 Ir2 N12 -","2","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.024","0.0219","","","0.0533","0.0546","","","","","","1.028","","","","has coordinates","219988","2020-10-21","18:00:00",""
"4514828","14.476","0.002","14.367","0.002","34.464","0.006","90","","101.797","0.002","90","","7016.3","1.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Ir N6 -","- C41 H36 Ir N6 -","- C328 H288 Ir8 N48 -","8","2","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0679","0.0503","","","0.1129","0.1244","","","","","","1.047","","","","has coordinates","219989","2020-10-21","18:00:00",""
"4514829","11.3918","0.001","14.4386","0.0012","20.4434","0.0018","90","","99.64","0.001","90","","3315.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Ir N4 -","- C39 H45 Ir N4 -","- C156 H180 Ir4 N16 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0231","0.0173","","","0.0347","0.0365","","","","","","1.066","","","","has coordinates","219990","2020-10-21","18:00:00",""
"4514830","17.6455","0.0016","12.6291","0.0011","20.6034","0.0018","90","","111.016","0.002","90","","4286","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H55 Ir N6 -","- C49 H55 Ir N6 -","- C196 H220 Ir4 N24 -","4","1","","Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S.","Synthesis and Characterization of Strong Cyclometalated Iridium Photoreductants for Application in Photocatalytic Aryl Bromide Hydrodebromination","ACS Catalysis","2019","9","9","8646","","10.1021/acscatal.9b02759","","","0.71073","MoKα","","0.0274","0.0223","","","0.0508","0.0532","","","","","","1.094","","","","has coordinates","219991","2020-10-21","18:00:00",""
"4514831","8.3707","0.0003","11.4502","0.0004","14.6387","0.0005","90","","90","","90","","1403.06","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 N3 O3 S -","- C11 H23 N3 O3 S -","- C44 H92 N12 O12 S4 -","4","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.032","0.0292","","","0.0719","0.0733","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514832","17.0285","0.0007","6.9101","0.0003","21.3006","0.0009","90","","90","","90","","2506.41","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C96 H144 N16 O16 S8 -","8","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.0326","0.0304","","","0.0862","0.0874","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514833","7.0841","0.0002","14.1779","0.0005","15.2277","0.0007","98.32","0.003","100.672","0.003","103.356","0.003","1433.94","0.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H47 N3 O6 S -","- C29 H47 N3 O6 S -","- C58 H94 N6 O12 S2 -","2","2","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.7107","MoKα","","0.0555","0.0437","","","0.1018","0.1047","","","","","","0.97","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514834","10.2981","0.0014","7.0578","0.0009","21.651","0.003","90","","94.024","0.004","90","","1569.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann–Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71073","MoKα","","0.0566","0.0417","","","0.1051","0.1135","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514835","15.2153","0.0013","14.9228","0.0013","18.7632","0.0015","90","","90","","90","","4260.3","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C160 H240 Cl8 N24 O24 S8 -","8","1","","Lam, Ying-Pong; Wang, Xinyan; Tan, Fei; Ng, Wing-Hin; Tse, Ying-Lung Steve; Yeung, Ying-Yeung","Amide/Iminium Zwitterionic Catalysts for (Trans)esterification: Application in Biodiesel Synthesis","ACS Catalysis","2019","9","9","8083","","10.1021/acscatal.9b01959","","","0.71073","MoKα","","0.042","0.0365","","","0.0976","0.102","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514836","13.6328","0.0005","9.7259","0.0004","19.2323","0.0007","90","","94.976","0.003","90","","2540.42","0.17","295.16","0.1","295.16","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0635","0.0602","","","0.1612","0.1655","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514837","37.0525","0.0008","12.0473","0.0003","10.4128","0.0002","90","","90.415","0.002","90","","4647.97","0.18","297.2","0.3","297.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C216 H216 N8 O32 S8 -","8","2","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0781","0.0603","","","0.1628","0.1779","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514838","18.0757","0.0007","14.6438","0.0006","7.2015","0.0003","90","","101.012","0.004","90","","1871.12","0.13","294.9","0.6","294.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Zeng, Rong; Li, Jun-Long; Zhang, Xiang; Liu, Yan-Qing; Jia, Zhi-Qiang; Leng, Hai-Jun; Huang, Qian-Wei; Liu, Yue; Li, Qing-Zhu","Diastereoselective Construction of 6,8-Dioxabicyclo[3.2.1]octane Frameworks from Vinylethylene Carbonates via Palladium-Organo Relay Catalysis","ACS Catalysis","2019","9","9","8256","","10.1021/acscatal.9b02598","","x-ray","1.54184","CuKα","","0.0658","0.0606","","","0.1603","0.1698","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514839","10.4319","0.0004","14.2343","0.0005","29.1953","0.0012","90","","90","","90","","4335.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 B N O4 S -","- C21 H26 B N O4 S -","- C168 H208 B8 N8 O32 S8 -","8","2","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0788","0.0463","","","0.0935","0.1056","","","","","","1.039","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514840","9.9417","0.0007","9.9417","0.0007","18.9939","0.0014","90","","90","","120","","1625.8","0.2","173","2","173","2","","","","","","","","6","P 31","P 31","144","","","","- C21 H26 B N O5 S -","- C21 H26 B N O5 S -","- C63 H78 B3 N3 O15 S3 -","3","1","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.1493","0.0588","","","0.1109","0.1359","","","","","","1.036","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514841","9.2674","0.0005","10.7476","0.0007","28.5667","0.0016","90","","90","","90","","2845.3","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 B F3 N2 O6 S -","- C23 H36 B F3 N2 O6 S -","- C92 H144 B4 F12 N8 O24 S4 -","4","1","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0816","0.0493","","","0.0983","0.1112","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514842","9.999","0.002","11.964","0.002","19.292","0.004","83.01","0.03","85.8","0.03","82.27","0.03","2266.1","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H65 K N3 Si6 Y -","- C31 H65 K N3 Si6 Y -","- C62 H130 K2 N6 Si12 Y2 -","2","1","","Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao","Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation","ACS Catalysis","2019","9","9","8766","","10.1021/acscatal.9b02899","","","0.71073","MoKα","","0.0686","0.0492","","","0.1133","0.1239","","","","","","1.009","","","","has coordinates,has disorder","220003","2020-10-21","18:00:00",""
"4514843","11.344","0.002","11.734","0.002","31.997","0.006","90","","92.915","0.004","90","","4253.6","1.3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H69 K N3 O Si6 Y -","- C29 H69 K N3 O Si6 Y -","- C116 H276 K4 N12 O4 Si24 Y4 -","4","1","","Zhai, Dan-Dan; Du, Hui-Zhen; Zhang, Xiang-Yu; Liu, Yu-Feng; Guan, Bing-Tao","Potassium Yttrium Ate Complexes: Synergistic Effect Enabled Reversible H2 Activation and Catalytic Hydrogenation","ACS Catalysis","2019","9","9","8766","","10.1021/acscatal.9b02899","","","0.71073","MoKα","","0.1075","0.0909","","","0.3137","0.325","","","","","","1.037","","","","has coordinates","220004","2020-10-21","18:00:00",""
"4514844","15.336","0.001","10.1947","0.0007","24.0955","0.0013","90","","98.408","0.002","90","","3726.7","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 F6 N2 O4 Pd S4 -","- C38 H30 F6 N2 O4 Pd S4 -","- C152 H120 F24 N8 O16 Pd4 S16 -","4","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0805","0.0674","","","0.1369","0.1418","","","","","","1.361","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514845","9.0381","0.0009","10.3207","0.0012","10.3832","0.0011","68.768","0.003","89.673","0.005","88.327","0.003","902.4","0.17","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","- C34 H26 Cl2 F6 N2 O4 Pd S4 -","1","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","","0.71073","MoKα","","0.0369","0.0317","","","0.0773","0.0825","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514846","32.753","0.003","4.888","0.0004","23.981","0.002","90","","124.967","0.008","90","","3146.2","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 S2 -","- C17 H15 N O2 S2 -","- C136 H120 N8 O16 S16 -","8","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0548","0.0439","","","0.1151","0.122","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514847","8.6349","0.0006","9.3163","0.0004","13.5605","0.0009","70.251","0.005","85.755","0.005","83.165","0.005","1018.75","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O2 S2 -","- C22 H23 N O2 S2 -","- C44 H46 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0943","0.0757","","","0.1763","0.1909","","","","","","1.044","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514848","19.271","0.005","4.5166","0.0009","23.345","0.007","90","","107.803","0.009","90","","1934.6","0.9","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0836","0.0511","","","0.1209","0.1394","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514849","15.796","","15.246","","9.849","","90","","105.81","","90","","2282.17","","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 S2 -","- C24 H23 N O4 S2 -","- C96 H92 N4 O16 S8 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54184","CuKα","","0.0631","0.0471","","","0.118","0.13","","","","","","1.016","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514850","9.7261","0.0018","10.89","0.002","11.528","0.002","65.75","0.006","69.528","0.006","86.877","0.007","1037.3","0.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C46 H52 O12 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0484","0.0387","","","0.0937","0.0993","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514851","10.584","0.002","4.346","0.0012","40.473","0.008","90","","95.273","0.009","90","","1853.8","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N S2 -","- C23 H19 N S2 -","- C92 H76 N4 S8 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.1292","0.0996","","","0.2305","0.2467","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514852","7.0055","0.0002","10.2801","0.0003","13.131","0.0003","79.22","0.002","84.888","0.002","80.238","0.002","913.91","0.04","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F N O2 S2 -","- C20 H18 F N O2 S2 -","- C40 H36 F2 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.041","0.0371","","","0.0969","0.1009","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514853","11.2","0.002","5.0559","0.0009","11.554","0.002","90","","115.351","0.005","90","","591.25","0.18","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O10 -","- C24 H32 O10 -","- C24 H32 O10 -","1","0.5","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","0.71073","MoKα","","0.0439","0.034","","","0.0733","0.0772","","","","","","1.045","","","","has coordinates","220014","2020-10-21","18:00:00",""
"4514854","8.4844","0.0007","12.3314","0.0009","12.7997","0.0011","112.337","0.006","94.171","0.005","98.558","0.006","1212.59","0.18","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O4 S2 -","- C28 H25 N O4 S2 -","- C56 H50 N2 O8 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0597","0.0515","","","0.1293","0.1403","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514855","6.5696","0.0001","10.4589","0.0002","13.1664","0.0003","79.911","0.001","84.189","0.001","81.356","0.001","877.96","0.03","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Cl N O2 S2 -","- C19 H16 Cl N O2 S2 -","- C38 H32 Cl2 N2 O4 S4 -","2","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.0295","0.0279","","","0.0736","0.0751","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514856","6.9999","0.0012","10.6761","0.0015","27.063","0.003","90","","92.75","0.01","90","","2020.1","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 S3 -","- C23 H19 N O2 S3 -","- C92 H76 N4 O8 S12 -","4","1","","Romine, Andrew M.; Yang, Kin S.; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Synthetic and Mechanistic Studies of a Versatile Heteroaryl Thioether Directing Group for Pd(II) Catalysis","ACS Catalysis","2019","9","9","7626","","10.1021/acscatal.9b01471","","x-ray","1.54178","CuKα","","0.09","0.0584","","","0.1444","0.1621","","","","","","1.032","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514857","11.03","0.004","5.7133","0.0018","14.591","0.005","90","","92.925","0.009","90","","918.3","0.5","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-2-((Anthracen-9-ylmethyl)amino)-2-(4-bromophenyl)acetonitrile","","","- C23 H17 Br N2 -","- C23 H17 Br N2 -","- C46 H34 Br2 N4 -","2","1","","Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions","ACS Catalysis","2019","9","9","8178","","10.1021/acscatal.9b02739","","","0.71075","MoKα","","0.0884","0.0694","","","0.1556","0.1599","","","","","","0.809","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514858","8.2877","0.0017","14.334","0.003","14.903","0.003","90","","103.09","0.03","90","","1724.4","0.6","293","2","293","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","","Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang","Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration","ACS Catalysis","2019","9","3","2610","","10.1021/acscatal.8b04934","","","0.71073","MoKα","","0.0498","0.0387","","","0.1051","0.1131","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514859","7.5531","0.0015","28.802","0.006","8.5314","0.0017","90","","113.57","0.03","90","","1701.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 S -","- C17 H19 N O6 S -","- C68 H76 N4 O24 S4 -","4","1","","Liu, Jibing; Chakraborty, Pushkin; Zhang, Heng; Zhong, Liang; Wang, Zhi-Xiang; Huang, Xueliang","Gold-Catalyzed Atom-Economic Synthesis of Sulfone-Containing Pyrrolo[2,1-a]isoquinolines from Diynamides: Evidence for Consecutive Sulfonyl Migration","ACS Catalysis","2019","9","3","2610","","10.1021/acscatal.8b04934","","","0.71073","MoKα","","0.0573","0.0468","","","0.1165","0.1232","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514860","8.8149","0.0005","10.4274","0.0007","12.2762","0.0008","74.663","0.002","83.855","0.002","77.212","0.002","1059.8","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 I N2 O2 Ru -","- C22 H25 I N4 Ru -","- C44 H50 I2 N8 Ru2 -","2","1","","Kumar, Abhishek; Semwal, Shrivats; Choudhury, Joyanta","Catalytic Conversion of CO2 to Formate with Renewable Hydrogen Donors: An Ambient-Pressure and H2-Independent Strategy","ACS Catalysis","2019","9","3","2164","","10.1021/acscatal.8b04430","","","0.71073","MoKα","","0.046","0.029","","","0.0921","0.108","","","","","","0.788","","","","has coordinates","220021","2020-10-21","18:00:00",""
"4514861","8.6566","0.0005","11.3426","0.0005","16.584","0.0009","89.235","0.003","77.991","0.002","89.031","0.002","1592.41","0.14","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","4","","Fan, Xiaozhong; Zhang, Xue; Li, Chunyu; Gu, Zhenhua","Enantioselective Atropisomeric Anilides Synthesis via Cu-Catalyzed Intramolecular Adjacent C–N Coupling","ACS Catalysis","2019","9","3","2286","","10.1021/acscatal.8b04789","","","0.71073","MoKα","","0.0583","0.0445","","","0.086","0.0932","","","","","","1.022","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514862","13.969","0.0005","27.1371","0.0007","6.25424","0.00018","90","","99.738","0.003","90","","2336.69","0.12","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C112 H128 N8 O8 -","4","1","","Wu, Xiao; Chen, Chentuo; Guo, Ziyang; North, Michael; Whitwood, Adrian C.","Metal- and Halide-Free Catalyst for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide","ACS Catalysis","2019","9","3","1895","","10.1021/acscatal.8b04387","","x-ray","1.54184","CuKα","","0.0504","0.0388","","","0.0942","0.1024","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514863","11.071","0.0005","10.4143","0.0005","13.4557","0.0006","90","","105.015","0.0007","90","","1498.43","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br Mn N2 O4 -","- C13 H12 Br Mn N2 O4 -","- C52 H48 Br4 Mn4 N8 O16 -","4","1","","Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias","Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes","ACS Catalysis","2019","9","3","2091","","10.1021/acscatal.8b03548","","","0.71073","MoKα","","0.0255","0.0223","","","0.0491","0.0501","","","","","","1.124","","","","has coordinates,has disorder","220024","2020-10-21","18:00:00",""
"4514864","7.1769","0.0004","9.2213","0.0005","11.5716","0.0006","85.6351","0.0018","84.0784","0.0018","82.509","0.0017","753.7","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br Mn N2 O4 -","- C15 H10 Br Mn N2 O4 -","- C30 H20 Br2 Mn2 N4 O8 -","2","1","","Steinlechner, Christoph; Roesel, Arend F.; Oberem, Elisabeth; Päpcke, Ayla; Rockstroh, Nils; Gloaguen, Frédéric; Lochbrunner, Stefan; Ludwig, Ralf; Spannenberg, Anke; Junge, Henrik; Francke, Robert; Beller, Matthias","Selective Earth-Abundant System for CO2 Reduction: Comparing Photo- and Electrocatalytic Processes","ACS Catalysis","2019","9","3","2091","","10.1021/acscatal.8b03548","","","0.71073","MoKα","","0.0203","0.0186","","","0.0498","0.0508","","","","","","1.048","","","","has coordinates","220025","2020-10-21","18:00:00",""
"4514865","10.7383","0.0006","18.1542","0.0008","7.5303","0.0004","90","","90","","90","","1468","0.13","210","2","210","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","1.54178","CuKα","","0.0576","0.0533","","","0.1451","0.1509","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514866","9.72","0.002","7.5084","0.0018","16.171","0.004","90","","94.588","0.007","90","","1176.4","0.5","120","2","120.02","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C54 H64 O6 -","2","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","0.71073","MoKα","","0.11","0.0554","","","0.1149","0.1346","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514867","10.5383","0.0013","19.337","0.002","7.9828","0.001","90","","92.029","0.004","90","","1625.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N3 O3 -","- C18 H12 F3 N3 O3 -","- C72 H48 F12 N12 O12 -","4","1","","Zhang, Cheng; Li, Hongli; Pei, Chao; Qiu, Lihua; Hu, Wenhao; Bao, Xiaoguang; Xu, Xinfang","Selective Vinylogous Reactivity of Carbene Intermediate in Gold-Catalyzed Alkyne Carbocyclization: Synthesis of Indenols","ACS Catalysis","2019","9","3","2440","","10.1021/acscatal.8b04144","","","0.71073","MoKα","","0.1302","0.0688","","","0.182","0.2398","","","","","","1.101","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514868","13.3161","0.0005","14.0105","0.0006","15.2863","0.0006","72.192","0.003","64.226","0.002","62.74","0.002","2262.59","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 N Ni O P2 -","- C50 H39 N Ni O P2 -","- C100 H78 N2 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0616","0.0415","","","0.1034","0.1127","","","","","","1.015","","","","has coordinates","220029","2020-10-21","18:00:00",""
"4514869","9.5744","0.0003","11.9148","0.0005","18.1503","0.0007","102.462","0.002","103.789","0.002","97.605","0.002","1926.26","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 N Ni O P2 -","- C49 H39 N Ni O P2 -","- C98 H78 N2 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0621","0.04","","","0.0913","0.1001","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514870","20.6558","0.0015","9.9242","0.0009","22.517","0.0013","90","","109.612","0.005","90","","4348","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Ni P3 -","- C54 H47 Ni P3 -","- C216 H188 Ni4 P12 -","4","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.1244","0.0618","","","0.127","0.1511","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514871","10.3659","0.0004","14.4217","0.0006","16.331","0.0007","102.781","0.0013","99.4257","0.0013","110.567","0.0013","2149.77","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.5 H46 Ni O P2 -","- C54.5 H46 Ni O P2 -","- C109 H92 Ni2 O2 P4 -","2","1","","Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne","Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.","ACS catalysis","2019","9","3","2458","2481","10.1021/acscatal.8b05025","","","0.71073","MoKα","","0.0611","0.0379","","","0.0855","0.0947","","","","","","1.012","","","","has coordinates,has disorder","220029","2020-10-21","18:00:00",""
"4514872","15.8225","0.0007","19.4848","0.0009","21.1157","0.001","70.092","0.003","81.078","0.003","72.501","0.002","5827.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C210 H154 Br2 Cu6 F18 N30 O24 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","- C210 H154 Br2 Cu6 F18 N30 O24 -","1","0.5","","Prakasam, Thirumurugan; Devaraj, Anthonisamy; Saha, Rupak; Lusi, Matteo; Brandel, Jeremy; Esteban-Gómez, David; Platas-Iglesias, Carlos; Olson, Mark Anthony; Mukherjee, Partha Sarathi; Trabolsi, Ali","Metal‒Organic Self-Assembled Trefoil Knots for C—Br Bond Activation","ACS Catalysis","2019","9","3","1907","","10.1021/acscatal.8b04650","","","1.54178","CuKα","","0.1278","0.1101","","","0.3088","0.3225","","","","","","1.364","","","","has coordinates","220030","2020-10-21","18:00:00",""
"4514873","15.378","0.003","15.378","0.003","5.9449","0.0015","90","","90","","120","","1217.5","0.5","100","2","100","2","","","","","","","","3","P 3","P 3","143","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C54 H84 O6 -","3","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.1388","0.0963","","","0.222","0.2477","","","","","","1.075","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514874","15.4852","0.0008","15.4852","0.0008","26.1457","0.0016","90","","90","","90","","6269.5","0.6","100","2","100","2","","","","","","","","3","I -4 c 2","I -4 -2c","120","","","","- C19 H26 O -","- C19 H26 O -","- C304 H416 O16 -","16","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.0701","0.0466","","","0.0968","0.1096","","","","","","1.065","","","","has coordinates,has disorder","220032","2020-10-21","18:00:00",""
"4514875","8.787","0.004","11.718","0.005","14.849","0.007","90","","95.361","0.008","90","","1522.3","1.2","105","2","105","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O -","- C21 H22 O -","- C84 H88 O4 -","4","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.1216","0.0677","","","0.1469","0.1673","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514876","7.1039","0.0018","11.823","0.003","19.698","0.005","90","","90","","90","","1654.4","0.7","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Zhang, Lin-Bao; Zhu, Ming-Hui; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming","Silver-Mediated Indole (4 + 2) Dearomative Annulation with N-Radicals: A Strategy To Construct Heterocycle-Fused Indolines","ACS Catalysis","2019","9","3","1680","","10.1021/acscatal.8b04933","","","0.71073","MoKα","","0.037","0.0365","","","0.0939","0.0943","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514877","27.6888","0.0008","8.415","0.0003","21.6977","0.0007","90","","90.427","0.003","90","","5055.5","0.3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 O2 Si -","- C27 H31 O2 Si -","- C216 H248 O16 Si8 -","8","1","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","1.54184","CuKα","","0.083","0.0662","","","0.1942","0.2152","","","","","","1.032","","","","has coordinates","220035","2020-10-21","18:00:00",""
"4514878","10.8692","0.0003","13.9222","0.0004","17.5154","0.0005","90","","90","","90","","2650.49","0.13","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O S Si -","- C30 H32 O S Si -","- C120 H128 O4 S4 Si4 -","4","1","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C–H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","0.71073","MoKα","","0.0515","0.0402","","","0.0977","0.1055","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514879","7.3547","0.0003","43.2835","0.0016","8.7345","0.0004","90","","93.821","0.004","90","","2774.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H33 N O Si -","- C32 H33 N O Si -","- C128 H132 N4 O4 Si4 -","4","2","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C–H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","1.54184","CuKα","","0.1021","0.0858","","","0.2395","0.2692","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514880","11.5014","0.0009","12.237","0.001","12.4559","0.0009","61.15","0.002","71.428","0.003","73.307","0.003","1436.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Br Mn N2 O9 P2 -","- C23 H30 Br Mn N2 O9 P2 -","- C46 H60 Br2 Mn2 N4 O18 P4 -","2","1","","Woo, Sung-Jun; Choi, Sunghan; Kim, So-Yoen; Kim, Pil Soo; Jo, Ju Hyoung; Kim, Chul Hoon; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Highly Selective and Durable Photochemical CO2 Reduction by Molecular Mn(I) Catalyst Fixed on a Particular Dye-Sensitized TiO2 Platform","ACS Catalysis","2019","9","3","2580","","10.1021/acscatal.8b03816","","","0.71073","MoKα","","0.0657","0.0443","","","0.105","0.1162","","","","","","1.028","","","","has coordinates","220038","2020-10-21","18:00:00",""
"4514881","20.647","0.0006","10.3884","0.0002","17.2385","0.0005","90","","114.021","0.004","90","","3377.26","0.19","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br2 O5 -","- C17 H16 Br2 O5 -","- C136 H128 Br16 O40 -","8","2","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","x-ray","1.54184","CuKα","","0.0625","0.0528","","","0.1519","0.1666","","","","","","1.093","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514882","6.1976","0.0017","17.271","0.005","7.158","0.002","90","","103.688","0.003","90","","744.4","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Cl O5 -","- C17 H15 Cl O5 -","- C34 H30 Cl2 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0284","0.0282","","","0.0719","0.0722","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514883","11.584","0.0004","7.7058","0.0002","15.1367","0.0005","90","","109.376","0.004","90","","1274.63","0.08","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 Br N2 O5 -","- C30 H25 Br N2 O5 -","- C60 H50 Br2 N4 O10 -","2","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0385","0.0364","","","0.0873","0.0886","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514884","6.0801","0.0012","8.1103","0.0016","22.242","0.004","90","","90","","90","","1096.8","0.4","153","2","153.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.1093","0.0867","","","0.1516","0.1675","","","","","","1.131","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514885","8.7971","0.0003","17.2916","0.0007","20.3839","0.0008","90","","90","","90","","3100.7","0.2","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N3 O8 S -","- C33 H33 N3 O8 S -","- C132 H132 N12 O32 S4 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0846","0.0674","","","0.125","0.1328","","","","","","1.1","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514886","6.2963","0.0018","32.789","0.009","11.523","0.003","90","","100.644","0.003","90","","2338","1.1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O7 -","- C27 H26 Cl N O7 -","- C108 H104 Cl4 N4 O28 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0576","0.0524","","","0.1141","0.1177","","","","","","1.113","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514887","6.0855","0.0012","12.683","0.003","13.554","0.003","90","","93.29","0.03","90","","1044.4","0.4","173","2","173.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0346","0.0337","","","0.0805","0.0815","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514888","11.7248","0.0012","13.6488","0.0013","19.0159","0.0019","90","","90","","90","","3043.1","0.5","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 F6 N2 O8 -","- C27.999 H26 F5.997 N2 O8 -","- C111.996 H104 F23.988 N8 O32 -","4","1","","Sletten, Eric T.; Tu, Yi-Jung; Schlegel, H. Bernhard; Nguyen, Hien M.","Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate","ACS Catalysis","2019","9","3","2110","","10.1021/acscatal.8b04444","","","0.71073","MoKα","","0.0782","0.0439","","","0.0898","0.1058","","","","","","1.014","","","","has coordinates,has disorder","220046","2020-10-21","18:00:00",""
"4514889","7.6912","0.0012","23.747","0.004","7.518","0.0013","90","","90","","90","","1373.1","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N S -","- C16 H12 Cl N S -","- C64 H48 Cl4 N4 S4 -","4","1","","Wang, Huamin; Li, Yongli; Lu, Qingquan; Yu, Mingming; Bai, Xudong; Wang, Shengchun; Cong, Hengjiang; Zhang, Heng; Lei, Aiwen","Oxidation-Induced β-Selective C–H Bond Functionalization: Thiolation and Selenation of N-Heterocycles","ACS Catalysis","2019","9","3","1888","","10.1021/acscatal.8b05054","","","1.54178","CuKα","","0.052","0.0516","","","0.1498","0.1504","","","","","","1.155","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4515457","11.627","0.002","11.659","0.002","15.889","0.003","85.73","0.03","77.49","0.03","69.54","0.03","1970.1","0.8","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H25 N -","- C27 H25 N -","- C108 H100 N4 -","4","2","","Tian, Jun-Jie; Zeng, Ning-Ning; Liu, Ning; Tu, Xian-Shuang; Wang, Xiao-Chen","Intramolecular Cyclizations of Vinyl-Substituted N,N-Dialkyl Arylamines Enabled by Borane-Assisted Hydride Transfer","ACS Catalysis","2018","9","1","295","","10.1021/acscatal.8b04485","","","0.71073","MoKα","","0.1331","0.0942","","","0.2298","0.2509","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515458","12.9669","0.0004","13.874","0.0004","12.3572","0.0004","90","","93.057","0.003","90","","2219.93","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br Mn N2 O2 P -","- C25 H19 Br Mn N2 O2 P -","- C100 H76 Br4 Mn4 N8 O8 P4 -","4","1","","Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex","ACS Catalysis","2018","9","1","479","","10.1021/acscatal.8b04585","","","0.71073","MoKα","","0.02","0.0188","","","0.0445","0.0449","","","","","","1.053","","","","has coordinates,has disorder","225614","2020-10-21","18:00:00",""
"4515459","9.7663","0.0001","16.9042","0.0002","16.0896","0.0002","90","","97.951","0.001","90","","2630.72","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Mn N2 O3 P -","- C32 H26 Mn N2 O3 P -","- C128 H104 Mn4 N8 O12 P4 -","4","1","","Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex","ACS Catalysis","2018","9","1","479","","10.1021/acscatal.8b04585","","","1.54184","CuKα","","0.0372","0.0328","","","0.0798","0.0817","","","","","","1.038","","","","has coordinates","225614","2020-10-21","18:00:00",""
"4515460","8.3986","0.001","10.167","0.0012","18.964","0.0019","90","","101.38","0.004","90","","1587.5","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M.","Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds","ACS Catalysis","2018","9","1","224","","10.1021/acscatal.8b04516","","x-ray","0.71073","MoKα","","0.0691","0.0425","","","0.0934","0.103","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515461","9.4368","0.0007","11.2965","0.0007","18.1549","0.0011","81.081","0.004","81.652","0.004","73.77","0.003","1825.2","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","2","","van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M.","Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds","ACS Catalysis","2018","9","1","224","","10.1021/acscatal.8b04516","","x-ray","1.54178","CuKα","","0.1175","0.0668","","","0.1338","0.1557","","","","","","1.023","","","","has coordinates,has disorder","225616","2020-10-21","18:00:00",""
"4515462","7.4443","0.0002","10.4007","0.0003","31.5827","0.0008","90","","90","","90","","2445.32","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 B F2 O4 Si -","- C22 H33 B F2 O4 Si -","- C88 H132 B4 F8 O16 Si4 -","4","1","","Guo, Wen-Hao; Zhao, Hai-Yang; Luo, Zhi-Ji; Zhang, Shu; Zhang, Xingang","Fluoroalkylation–Borylation of Alkynes: An Efficient Method To Obtain (Z)-Tri- and Tetrasubstituted Fluoroalkylated Alkenylboronates","ACS Catalysis","2018","9","1","38","","10.1021/acscatal.8b02842","","","1.54178","CuKα","","0.0692","0.0659","","","0.1877","0.1919","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515463","26.0162","0.0011","11.1134","0.0004","23.2857","0.001","90","","108.358","0.004","90","","6389.9","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 B O8 P2 Pd -","- C28 H47 B O8 P2 Pd -","- C224 H376 B8 O64 P16 Pd8 -","8","1","","Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay","Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels","ACS Catalysis","2018","9","1","301","","10.1021/acscatal.8b03894","","","0.71073","MoKα","","0.0436","0.0321","","","0.0722","0.0773","","","","","","1.069","","","","has coordinates","225618","2020-10-21","18:00:00",""
"4515464","13.2301","0.001","13.2301","0.001","38.893","0.005","90","","90","","90","","6807.7","1.1","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H15 B O2 -","- C9 H15 B O2 -","- C288 H480 B32 O64 -","32","1","","Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay","Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels","ACS Catalysis","2018","9","1","301","","10.1021/acscatal.8b03894","","","1.54184","CuKα","","0.148","0.0881","","","0.2151","0.2555","","","","","","1.03","","","","has coordinates","225619","2020-10-21","18:00:00",""
"4515465","8.473","0.0001","17.4446","0.0003","9.0374","0.0001","90","","94.072","0.001","90","","1332.43","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","","Fu, Niankai; Shen, Yifan; Allen, Anthony R.; Song, Lu; Ozaki, Atsushi; Lin, Song","Mn-Catalyzed Electrochemical Chloroalkylation of Alkenes.","ACS catalysis","2019","9","1","746","754","10.1021/acscatal.8b03209","","x-ray","1.54184","CuKα","","0.0453","0.0441","","","0.1124","0.1132","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515466","11.8498","0.0001","9.5906","0.0001","14.708","0.0002","90","","96.008","0.001","90","","1662.33","0.03","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 F3 N O4 -","- C18 H14 F3 N O4 -","- C72 H56 F12 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0441","0.0408","","","0.1144","0.1176","","","","","","1.064","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515467","13.5517","0.0003","9.2461","0.0001","11.8061","0.0003","90","","106.796","0.002","90","","1416.2","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0478","0.0458","","","0.1229","0.1249","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515468","9.8665","0.0007","19.0145","0.0013","31.36","0.002","90","","90","","90","","5883.3","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H79 N6 O15 P -","- C60 H79 N6 O15 P -","- C240 H316 N24 O60 P4 -","4","1","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0565","0.0476","","","0.1271","0.1348","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515469","22.7393","0.0008","5.2121","0.0001","14.2943","0.0004","90","","93.045","0.003","90","","1691.76","0.08","93","2","93","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C17 H14 Br N O4 -","- C17 H14 Br N O4 -","- C68 H56 Br4 N4 O16 -","4","1","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0393","0.0375","","","0.0952","0.0969","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515470","10.8042","0.0002","8.4963","0.0001","15.825","0.0003","90","","103.232","0.002","90","","1414.1","0.04","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54184","CuKα","","0.0301","0.0294","","","0.0723","0.0728","","","","","","1.107","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515471","9.806","0.0008","14.9855","0.0012","21.2136","0.0018","89.141","0.002","86.664","0.002","88.303","0.002","3110.4","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","4","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","0.7749","Synchrotron","","0.084","0.0568","","","0.1279","0.1411","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515472","26.466","0.002","17.7566","0.0012","22.8328","0.0016","90","","124.789","0.001","90","","8812.3","1.1","93","2","93","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H57 N7 O7 -","- C36 H57 N7 O7 -","- C288 H456 N56 O56 -","8","2","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0492","0.0435","","","0.12","0.1245","","","","","","1.038","","","","has coordinates,has disorder","225627","2020-10-21","18:00:00",""
"4515473","13.76","0.0003","7.1297","0.0002","34.2631","0.0007","90","","90","","90","","3361.37","0.14","110","0.14","110","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C160 H184 N8 O16 -","8","1","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.0592","0.0479","","","0.1173","0.1251","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515474","7.38319","0.0001","26.3138","0.0004","19.6731","0.0003","90","","93.6518","0.0013","90","","3814.33","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45.67 H35.35 Cl3.35 N2 O2 -","- C45.675 H35.3508 Cl3.35 N2 O2 -","- C182.7 H141.403 Cl13.4 N8 O8 -","4","0.5","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.049","0.045","","","0.1154","0.1189","","","","","","1.053","","","","has coordinates,has disorder","225629","2020-10-21","18:00:00",""
"4515475","11.5","0.007","14.765","0.009","34.41","0.02","90","","90","","90","","5843","6","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Mn N3 O5 P2 S -","- C22 H40 Mn N3 O5 P2 S -","- C176 H320 Mn8 N24 O40 P16 S8 -","8","1","","Bertini, Federica; Glatz, Mathias; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca","Carbon Dioxide Reduction to Methanol Catalyzed by Mn(I) PNP Pincer Complexes under Mild Reaction Conditions","ACS Catalysis","2018","9","1","632","","10.1021/acscatal.8b04106","","","0.71073","MoKα","","0.0714","0.0461","","","0.0923","0.1029","","","","","","1.04","","","","has coordinates,has disorder","225630","2020-10-21","18:00:00",""
"4515476","8.9763","0.0018","10.84","0.002","11.572","0.002","109.84","0.03","99.23","0.03","93.29","0.03","1037.8","0.4","128.15","","128.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N -","- C27 H29 N -","- C54 H58 N2 -","2","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C–H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.0592","0.0468","","","0.1196","0.1363","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515477","9.616","0.003","10.433","0.004","13.436","0.005","100.936","0.008","95.927","0.007","95.808","0.008","1306.3","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 N Sc Si2 -","- C23 H40 N Sc Si2 -","- C46 H80 N2 Sc2 Si4 -","2","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.0309","0.028","","","0.0839","0.085","","","","","","1.096","","","","has coordinates","225632","2020-10-21","18:00:00",""
"4515478","19.003","0.004","10.452","0.002","8.8763","0.0018","90","","96.73","0.03","90","","1750.9","0.6","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H24 F6 N P -","- C15 H24 F6 N P -","- C60 H96 F24 N4 P4 -","4","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C–H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.1114","0.1036","","","0.2987","0.3075","","","","","","1.152","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515479","18.0106","0.0008","9.0679","0.0004","19.7109","0.0009","90","","96.859","0.002","90","","3196.1","0.2","101","2","101.05","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 B F18 N6 Rh -","- C29 H20 B F18 N6 Rh -","- C116 H80 B4 F72 N24 Rh4 -","4","1","","Avullala, Thirupataiah; Asgari, Parham; Hua, Yuanda; Bokka, Apparao; Ridlen, Shawn G.; Yum, Kyungsuk; Dias, H. V. Rasika; Jeon, Junha","Umpolung <i>α</i>-Silylation of Cyclopropyl Acetates via Low-Temperature Catalytic C-C Activation.","ACS catalysis","2019","9","1","402","408","10.1021/acscatal.8b04252","","","0.71073","MoKα","","0.0272","0.0237","","","0.0564","0.0579","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515480","19.3364","0.0002","10.43031","0.00012","16.58648","0.00019","90","","95.7369","0.001","90","","3328.48","0.06","100.02","0.1","100.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N1-(2,6-Bis-(3-pentyl)phenyl)-N2-benzyl)-2-imidazolidinylidene] (2-isopropoxyphenylmethylene)ruthenium(II) chloride","","- C36 H48 Cl2 N2 O Ru -","- C36 H48 Cl2 N2 O Ru -","- C144 H192 Cl8 N8 O4 Ru4 -","4","1","","Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol","Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application","ACS Catalysis","2018","9","1","587","","10.1021/acscatal.8b04783","","","0.71073","MoKα","","0.0348","0.0283","","","0.0662","0.0704","","","","","","1.111","","","","has coordinates","225635","2020-10-21","18:00:00",""
"4515481","13.16","0.0002","10.12687","0.00013","37.8176","0.0006","90","","98.1376","0.0015","90","","4989.19","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N1-(2,6-Bis-(diphenylmethyl)-4-methylphenyl)-N2-benzyl)-2-imidazolidinylidene] (2-isopropoxyphenylmethylene)ruthenium(II) chloride","","- C53 H50 Cl2 N2 O Ru -","- C53 H50 Cl2 N2 O Ru -","- C212 H200 Cl8 N8 O4 Ru4 -","4","1","","Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol","Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application","ACS Catalysis","2018","9","1","587","","10.1021/acscatal.8b04783","","x-ray","0.71073","MoKα","","0.0856","0.0749","","","0.1517","0.1561","","","","","","1.2","","","","has coordinates,has disorder","225636","2020-10-21","18:00:00",""
"4515482","11.6704","0.0003","12.4895","0.0004","24.8148","0.0007","90","","90","","90","","3616.94","0.18","83","","83","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Br N3 O7 -","- C41 H48 Br N3 O7 -","- C164 H192 Br4 N12 O28 -","4","1","","Paria, Suva; Kang, Qi-Kai; Hatanaka, Miho; Maruoka, Keiji","Design of Efficient Chiral Bifunctional Phase-Transfer Catalysts Possessing an Amino Functionality for Asymmetric Aminations","ACS Catalysis","2018","9","1","78","","10.1021/acscatal.8b03292","","","1.54187","CuKα","","0.0463","0.0412","","","0.1115","0.1187","","","","","","0.903","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515483","14.9159","0.0005","18.747","0.0007","20.4012","0.0009","90","","90","","90","","5704.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 N2 Ni -","- C71 H72 N2 Ni -","- C284 H288 N8 Ni4 -","4","1","","Cai, Yuan; Zhang, Jia-Wen; Li, Feng; Liu, Jia-Ming; Shi, Shi-Liang","Nickel/N-Heterocyclic Carbene Complex-Catalyzed Enantioselective Redox-Neutral Coupling of Benzyl Alcohols and Alkynes to Allylic Alcohols","ACS Catalysis","2018","9","1","1","","10.1021/acscatal.8b04198","","","0.71073","MoKα","","0.0618","0.042","","","0.0824","0.0931","","","","","","1.029","","","","has coordinates","225638","2020-10-21","18:00:00",""
"4515484","9.0036","0.0009","10.9036","0.0011","11.9944","0.0012","103.063","0.005","98.741","0.005","91.068","0.005","1132","0.2","293","","298","","","","","","","","","5","P 1","P 1","1","","YSB-!","","- C23 H22 N2 O4 S2 -","- C23 H22 N2 O4 S2 -","- C46 H44 N4 O8 S4 -","2","2","","Yang, Shengbiao; Wang, Lihong; Zhang, Hongwei; Liu, Chunyang; Zhang, Linli; Wang, Xiaomin; Zhang, Ge; Li, Yan; Zhang, Qian","Copper-Catalyzed Asymmetric Aminocyanation of Arylcyclopropanes for Synthesis of γ-Amino Nitriles","ACS Catalysis","2018","9","1","716","","10.1021/acscatal.8b03768","","","1.54184","CuKα","","0.0519","0.0391","","","0.0886","0.0966","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515485","12.09","0.001","15.2246","0.0014","20.0614","0.0018","90","","91.35","0.008","90","","3691.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 F2 I P2 Pd -","- C37 H31 F2 I P2 Pd -","- C148 H124 F8 I4 P8 Pd4 -","4","0.5","","Hori, Kaishi; Motohashi, Hirotaka; Saito, Daichi; Mikami, Koichi","Precatalyst Effects on Pd-Catalyzed Cross-Coupling Difluoromethylation of Aryl Boronic Acids","ACS Catalysis","2018","9","1","417","","10.1021/acscatal.8b03892","","x-ray","1.54184","CuKα","","0.1084","0.0958","","","0.1803","0.1902","","","","","","1.055","","","","has coordinates,has disorder","225640","2020-10-21","18:00:00",""
"4515486","16.49","0.002","22.606","0.002","13.5064","0.0017","90","","90.007","0.005","90","","5034.8","1","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 F16 Ir N4 P -","- C56 H34 F16 Ir N4 P -","- C224 H136 F64 Ir4 N16 P4 -","4","0.5","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.0349","0.0275","","","0.061","0.0649","","","","","","1.085","","","","has coordinates","225641","2020-10-21","18:00:00",""
"4515487","11.7565","0.0016","12.8586","0.0017","18.657","0.003","81.314","0.005","80.238","0.005","73.409","0.004","2648.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C49 H32 Cl2 F16 Ir N4 P -","- C49 H32 Cl2 F16 Ir N4 P -","- C98 H64 Cl4 F32 Ir2 N8 P2 -","2","1","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.1042","0.0852","","","0.2189","0.2363","","","","","","1.12","","","","has coordinates,has disorder","225642","2020-10-21","18:00:00",""
"4515488","26.5472","0.0011","26.5472","","38.495","0.0018","90","","90","","120","","23494.8","1.5","150","2","150","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C56 H34 F16 Ir N4 P -","- C56 H34 F16 Ir N4 P -","- C1008 H612 F288 Ir18 N72 P18 -","18","1","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.0923","0.0714","","","0.1759","0.19","","","","","","1.04","","","","has coordinates","225643","2020-10-21","18:00:00",""
"4515489","9.6279","0.0006","10.9013","0.0006","17.0857","0.001","98.271","0.003","102.568","0.003","108.408","0.003","1616.39","0.17","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Al Cl N3 Si3 -","- C27 H43 Al Cl N3 Si3 -","- C54 H86 Al2 Cl2 N6 Si6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0806","0.0594","","","0.1581","0.1719","","","","","","1.05","","","","has coordinates,has disorder","225644","2020-10-21","18:00:00",""
"4515490","7.3795","0.0004","13.4511","0.0007","21.1096","0.0011","90","","90","","90","","2095.39","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Al N3 -","- C24 H24 Al N3 -","- C96 H96 Al4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0939","0.0537","","","0.1143","0.1352","","","","","","1.037","","","","has coordinates,has disorder","225645","2020-10-21","18:00:00",""
"4515491","8.9033","0.001","22.602","0.003","8.763","0.001","90","","100.967","0.003","90","","1731.2","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Al Cl N3 -","- C18 H19 Al Cl N3 -","- C72 H76 Al4 Cl4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1104","0.0651","","","0.1218","0.1404","","","","","","1.035","","","","has coordinates,has disorder","225646","2020-10-21","18:00:00",""
"4515492","9.0364","0.0003","10.9957","0.0004","16.5417","0.0006","91.033","0.002","97.953","0.002","107.345","0.002","1550.72","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H44 Al N4 -","- C35 H44 Al N4 -","- C70 H88 Al2 N8 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1333","0.0585","","","0.1091","0.1342","","","","","","1.011","","","","has coordinates","225647","2020-10-21","18:00:00",""
"4515493","9.6204","0.0004","24.1661","0.001","10.8834","0.0005","90","","94.131","0.003","90","","2523.68","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Al N3 -","- C29 H33 Al N3 -","- C116 H132 Al4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0868","0.0477","","","0.0998","0.1167","","","","","","1.032","","","","has coordinates","225648","2020-10-21","18:00:00",""
"4515494","9.2076","0.0011","12.1268","0.0014","16.763","0.002","98.513","0.007","98.865","0.007","103.694","0.006","1763.3","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H48 Al N3 Si3 -","- C33 H48 Al N3 Si3 -","- C66 H96 Al2 N6 Si6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.088","0.0566","","","0.1216","0.1447","","","","","","1.078","","","","has coordinates","225649","2020-10-21","18:00:00",""
"4515495","7.0617","0.0005","25.6486","0.0019","13.413","0.001","90","","105.218","0.005","90","","2344.2","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Al Cl4 N3 O7 -","- C15 H24 Al Cl4 N3 O7 -","- C60 H96 Al4 Cl16 N12 O28 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0584","0.0442","","","0.0906","0.0964","","","","","","1.087","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515496","9.2525","0.0008","15.9339","0.0013","17.4939","0.0014","90","","95.425","0.005","90","","2567.5","0.4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Al Cl N3 -","- C27 H37 Al Cl N3 -","- C108 H148 Al4 Cl4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0884","0.0506","","","0.1203","0.1442","","","","","","1.047","","","","has coordinates,has disorder","225651","2020-10-21","18:00:00",""
"4515497","8.9098","0.0004","9.0012","0.0005","17.5788","0.001","89.93","0.004","76.945","0.004","69.158","0.004","1278.64","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H38 Al N3 -","- C27 H38 Al N3 -","- C54 H76 Al2 N6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1311","0.0672","","","0.1356","0.1689","","","","","","1.018","","","","has coordinates,has disorder","225652","2020-10-21","18:00:00",""
"4515498","16.055","0.002","10.4568","0.0015","35.146","0.005","90","","98.496","0.009","90","","5835.7","1.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Al N3 -","- C33 H42 Al N3 -","- C264 H336 Al8 N24 -","8","2","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1651","0.1255","","","0.288","0.3144","","","","","","1.089","","","","has coordinates,has disorder","225653","2020-10-21","18:00:00",""
"4515499","39.687","0.006","12.1443","0.0019","26.344","0.004","90","","98.409","0.002","90","","12561","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H34 B2 F30 Nd Si3 -","- C57 H34 B2 F30 Nd Si3 -","- C456 H272 B16 F240 Nd8 Si24 -","8","1","","Schmidt, Bradley M.; Pindwal, Aradhana; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.","Zwitterionic Trivalent (Alkyl)lanthanide Complexes in Ziegler-Type Butadiene Polymerization","ACS Catalysis","2018","9","2","827","","10.1021/acscatal.8b04025","","","0.71073","MoKα","","0.1046","0.0669","","","0.1791","0.2179","","","","","","0.855","","","","has coordinates","225654","2020-10-21","18:00:00",""
"4515500","6.101","0.0005","7.1857","0.0006","36.046","0.004","90","","94.848","0.005","90","","1574.6","0.3","150","2","150","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1318","0.0668","","","0.1311","0.1589","","","","","","0.964","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515501","14.4785","0.0014","9.0523","0.001","16.7522","0.0019","90","","92.179","0.005","90","","2194","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H31 Cl Fe N2 -","- C23 H31 Cl Fe N2 -","- C92 H124 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1367","0.0568","","","0.1023","0.1306","","","","","","0.964","","","","has coordinates","225657","2020-10-21","18:00:00",""
"4515502","16.5485","0.0011","10.4399","0.0007","31.246","0.002","90","","90","","90","","5398.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl Fe N2 -","- C29 H35 Cl Fe N2 -","- C232 H280 Cl8 Fe8 N16 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1471","0.0647","","","0.1221","0.1478","","","","","","1.015","","","","has coordinates","225658","2020-10-21","18:00:00",""
"4515503","11.9206","0.0002","15.6644","0.0004","27.735","0.0005","90","","90","","90","","5178.93","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cl Fe N3 -","- C26 H38 Cl Fe N3 -","- C208 H304 Cl8 Fe8 N24 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0574","0.0357","","","0.079","0.0875","","","","","","1.022","","","","has coordinates","225659","2020-10-21","18:00:00",""
"4515504","12.631","0.0011","15.5444","0.0012","16.5595","0.0014","90","","105.365","0.003","90","","3135.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Fe N2 -","- C37 H40 Fe N2 -","- C148 H160 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1401","0.0569","","","0.1075","0.1325","","","","","","0.974","","","","has coordinates","225660","2020-10-21","18:00:00",""
"4515505","17.827","0.002","15.8552","0.0018","11.0869","0.0013","90","","104.133","0.006","90","","3038.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl Fe N2 -","- C25 H35 Cl Fe N2 -","- C100 H140 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1269","0.0542","","","0.1127","0.1402","","","","","","0.915","","","","has coordinates","225661","2020-10-21","18:00:00",""
"4515506","11.736","0.002","10.478","0.002","14.979","0.003","90","","102.775","0.01","90","","1796.4","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Fe2 -","- C24 H20 Fe2 -","- C96 H80 Fe8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1311","0.0607","","","0.0951","0.1148","","","","","","1.001","","","","has coordinates","225662","2020-10-21","18:00:00",""
"4515507","8.6146","0.0005","17.039","0.0011","19.7629","0.0011","90","","90","","90","","2900.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Cl Fe N2 -","- C28 H41 Cl Fe N2 -","- C112 H164 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0952","0.0519","","","0.0955","0.1091","","","","","","1.002","","","","has coordinates","225663","2020-10-21","18:00:00",""
"4515508","8.4344","0.001","22.681","0.002","15.3166","0.0016","90","","90.017","0.004","90","","2930.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl Fe N2 -","- C32 H41 Cl Fe N2 -","- C128 H164 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0732","0.0463","","","0.0941","0.104","","","","","","1.017","","","","has coordinates","225664","2020-10-21","18:00:00",""
"4515509","8.5309","0.0005","16.6841","0.0008","17.0048","0.0009","90","","91.196","0.002","90","","2419.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl Fe N2 -","- C26 H37 Cl Fe N2 -","- C104 H148 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1126","0.0548","","","0.1132","0.1329","","","","","","1.017","","","","has coordinates","225665","2020-10-21","18:00:00",""
"4515510","7.0423","0.0006","9.2936","0.0009","12.8025","0.0006","89.117","0.007","75.476","0.007","77.243","0.008","790.39","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 N O4 S -","- C19 H13 N O4 S -","- C38 H26 N2 O8 S2 -","2","1","","Shu, Chao; Shi, Chong-Yang; Sun, Qing; Zhou, Bo; Li, Tian-You; He, Qiao; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Endocyclic Vinyl Carbene Complexes via Gold-Catalyzed Oxidative Cyclization of Terminal Diynes: Toward Naphthoquinones and Carbazolequinones","ACS Catalysis","2018","9","2","1019","","10.1021/acscatal.8b04455","","","1.54184","CuKα","","0.0529","0.0458","","","0.1248","0.129","","","","","","1.115","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515511","9.633","0.009","11.189","0.01","12.051","0.013","89.56","0.04","71.1","0.04","83.22","0.04","1220","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18056AL","","","- C30 H29 Al N4 O -","- C30 H29 Al N4 O -","- C60 H58 Al2 N8 O2 -","2","1","","Mandal, Mukunda; Luke, Anna M.; Dereli, Büşra; Elwell, Courtney E.; Reineke, Theresa M.; Tolman, William B.; Cramer, Christopher J.","Computational Prediction and Experimental Verification of ε-Caprolactone Ring-Opening Polymerization Activity by an Aluminum Complex of an Indolide/Schiff-Base Ligand","ACS Catalysis","2018","9","2","885","","10.1021/acscatal.8b04540","","","0.71073","MoKα","","0.0639","0.047","","","0.1149","0.1269","","","","","","1.037","","","","has coordinates","225667","2020-10-21","18:00:00",""
"4515512","9.1036","0.0002","13.3256","0.0002","36.2038","0.0006","90","","90","","90","","4391.92","0.14","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C208 H240 N16 O24 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0615","0.0598","","","0.1593","0.1614","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515513","9.0909","0.0003","13.2501","0.0004","36.0908","0.0012","90","","90","","90","","4347.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Br N2 O2 -","- C25 H27 Br N2 O2 -","- C200 H216 Br8 N16 O16 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0646","0.0468","","","0.1017","0.1124","","","","","","1.043","","","","has coordinates,has disorder","225669","2020-10-21","18:00:00",""
"4516631","34.882","0.009","10.203","0.003","13.579","0.004","90","","112.867","0.004","90","","4453","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Co2 N4 O7 -","- C15 H12 Co2 N4 O7 -","- C120 H96 Co16 N32 O56 -","8","1","","Wang, Hai-Hua; Hou, Lei; Li, Yong-Zhi; Jiang, Chen-Yu; Wang, Yao-Yu; Zhu, Zhonghua","Porous MOF with Highly Efficient Selectivity and Chemical Conversion for CO<sub>2</sub>.","ACS applied materials & interfaces","2017","9","21","17969","17976","10.1021/acsami.7b03835","","","0.71073","MoKα","","0.1771","0.1348","","","0.2769","0.2957","","","","","","0.942","","","","has coordinates","239414","2020-10-21","18:00:00",""
"4516632","10.5333","0.0009","12.8234","0.0012","13.1215","0.0012","84.199","0.007","82.718","0.008","67.584","0.007","1622.5","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 Cl2 Cu12 N36 Na2 O24 -","- C36 H24 Cl2 Cu12 N36 Na2 O24 -","- C36 H24 Cl2 Cu12 N36 Na2 O24 -","1","0.5","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1213","0.0479","","","0.0794","0.1006","","","","","","0.95","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516633","10.327","0.005","13.165","0.006","13.182","0.006","89.986","0.005","81.289","0.004","68.559","0.004","1645.9","1.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 Br2 Cu12 N36 Na2 O24 -","- C36 H24 Br2 Cu12 N36 Na2 O24 -","- C36 H24 Br2 Cu12 N36 Na2 O24 -","1","0.5","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1025","0.0488","","","0.0989","0.118","","","","","","0.979","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516634","10.397","0.004","13.176","0.005","13.196","0.005","89.966","0.004","81.245","0.003","69.982","0.004","1676.1","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 Cu12 I2 N36 Na2 O24 -","- C36 H24 Cu12 I2 N36 Na2 O24 -","- C36 H24 Cu12 I2 N36 Na2 O24 -","1","0.5","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.0757","0.0446","","","0.0998","0.1152","","","","","","0.997","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516635","10.602","0.01","12.725","0.012","13.11","0.012","83.607","0.009","81.991","0.009","67.784","0.008","1618","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 Cl Cu6 K N18 O12 -","- C18 H12 Cl Cu6 K N18 O12 -","- C36 H24 Cl2 Cu12 K2 N36 O24 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1632","0.0544","","","0.0751","0.1011","","","","","","0.934","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516636","10.2886","0.0004","13.1326","0.0004","13.1248","0.0004","89.9","0.002","68.551","0.002","81.119","0.003","1627.88","0.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 Br Cu6 K N18 O12 -","- C18 H12 Br Cu6 K N18 O12 -","- C36 H24 Br2 Cu12 K2 N36 O24 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.1087","0.0462","","","0.073","0.09","","","","","","0.962","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516637","10.336","0.003","13.12","0.004","13.11","0.004","89.928","0.003","69.412","0.003","81.047","0.003","1641.3","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H12 Cu6 I K N18 O12 -","- C18 H12 Cu6 I K N18 O12 -","- C36 H24 Cu12 I2 K2 N36 O24 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.0962","0.0545","","","0.1138","0.1321","","","","","","1.011","","","","has coordinates","239415","2020-10-21","18:00:00",""
"4516638","12.9723","0.0014","15.0889","0.0016","17.921","0.002","90.4389","0.0009","90.3035","0.0009","93.3656","0.0009","3501.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H64 Cu6 F N33 O27 -","- C45 H64 Cu6 F N33 O27 -","- C90 H128 Cu12 F2 N66 O54 -","2","1","","Guo, Ling-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Wang, Xing-Po; Zhao, Quan-Qin; Lin, Shui-Chao; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Multifunctional Triple-Decker Inverse 12-Metallacrown-4 Sandwiching Halides.","ACS applied materials & interfaces","2017","9","23","19980","19987","10.1021/acsami.7b05191","","","0.71073","MoKα","","0.0508","0.0328","","","0.0739","0.0824","","","","","","0.985","","","","has coordinates,has disorder","239415","2020-10-21","18:00:00",""
"4516639","13.112","0.0004","13.4058","0.0004","16.2914","0.0005","90","","101.021","0.0015","90","","2810.84","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 B N -","- C36 H34 B N -","- C144 H136 B4 N4 -","4","1","","Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2017","9","28","24035","24042","10.1021/acsami.7b05615","","","0.71073","MoKα","","0.0626","0.0478","","","0.122","0.1353","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516640","15.361","0.003","12.176","0.002","14.9","0.003","90","","90.95","0.03","90","","2786.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 B N O -","- C36 H34 B N O -","- C144 H136 B4 N4 O4 -","4","1","","Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2017","9","28","24035","24042","10.1021/acsami.7b05615","","","0.63","Synchrotron","","0.0649","0.0469","","","0.1277","0.1391","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516641","8.346","0.0017","18.245","0.004","17.714","0.004","90","","93.04","0.03","90","","2693.6","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B N -","- C36 H34 B N -","- C144 H136 B4 N4 -","4","1","","Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2017","9","28","24035","24042","10.1021/acsami.7b05615","","","0.63","Synchrotron","","0.0621","0.0486","","","0.1381","0.1508","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516642","7.988","0.004","9.978","0.005","11.035","0.005","104.884","0.007","98.534","0.007","103.807","0.007","804.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Co4 N20 O10 -","- C26 H18 Co4 N20 O10 -","- C26 H18 Co4 N20 O10 -","1","0.5","","Gong, Teng; Lou, Xiaobing; Gao, En-Qing; Hu, Bingwen","Pillared-Layer Metal-Organic Frameworks for Improved Lithium-Ion Storage Performance.","ACS applied materials & interfaces","2017","9","26","21839","21847","10.1021/acsami.7b05889","","","0.71073","MoKα","","0.0589","0.0443","","","0.1369","0.1955","","","","","","0.977","","","","has coordinates","239419","2020-10-21","18:00:00",""
"4516643","5.6365","0.0019","7.316","0.002","54.623","0.018","90","","90","","90","","2252.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O6 -","- C22 H36 N2 O6 -","- C88 H144 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","0.71073","MoKα","","0.0414","0.0351","","","0.0938","0.1018","","","","","","0.702","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516644","5.5928","0.0008","7.2712","0.0011","63.511","0.009","90","","90","","90","","2582.8","0.7","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N2 O6 -","- C26 H44 N2 O6 -","- C104 H176 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","0.71073","MoKα","","0.0826","0.0519","","","0.1245","0.1503","","","","","","0.923","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516645","5.6059","0.0002","7.3036","0.0003","59.161","0.002","90","","90","","90","","2422.24","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O6 -","- C24 H40 N2 O6 -","- C96 H160 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","1.54178","CuKα","","0.1028","0.0872","","","0.2235","0.2306","","","","","","1.481","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516646","22.3712","0.0002","22.3712","0.0002","95.1715","0.0016","90","","90","","120","","41249.3","0.9","386","2","386","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H28 N10 Ni3 O18 -","- C45 H28 N10 Ni3 O18 -","- C810 H504 N180 Ni54 O324 -","18","1","","Yu, Mei-Hui; Zhang, Ping; Feng, Rui; Yao, Zhao-Quan; Yu, Yi-Chen; Hu, Tong-Liang; Bu, Xian-He","Construction of a Multi-Cage-Based MOF with a Unique Network for Efficient CO<sub>2</sub> Capture.","ACS applied materials & interfaces","2017","9","31","26177","26183","10.1021/acsami.7b06491","","","0.71073","MoKα","","0.0568","0.048","","","0.1364","0.1433","","","","","","1.079","","","","has coordinates","239423","2020-10-21","18:00:00",""
"4516647","13.7841","0.0003","13.7841","0.0003","9.2424","0.0003","90","","90","","120","","1520.8","0.07","120","2","120","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C54 H24 Br6 Fe2 N6 O26 -","- C54 H24 Br6 Fe2 N6 O26 -","- C54 H24 Br6 Fe2 N6 O26 -","1","0.0833333","","Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J","Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.","ACS applied materials & interfaces","2017","9","31","26210","26218","10.1021/acsami.7b08322","","","0.71073","MoKα","","0.0555","0.0481","","","0.1378","0.1433","","","","","","1.071","","","","has coordinates,has disorder","239424","2020-10-21","18:00:00",""
"4516648","13.6909","0.0003","13.6909","0.0003","9.1968","0.0003","90","","90","","120","","1492.9","0.07","120","2","120","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C54 H24 Cl6 Fe2 N6 O26 -","- C54 H24 Cl6 Fe2 N6 O26 -","- C54 H24 Cl6 Fe2 N6 O26 -","1","0.0833333","","Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J","Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.","ACS applied materials & interfaces","2017","9","31","26210","26218","10.1021/acsami.7b08322","","","0.71073","MoKα","","0.0497","0.0381","","","0.1034","0.1107","","","","","","1.093","","","","has coordinates","239425","2020-10-21","18:00:00",""
"4516649","15.255","0.004","15.812","0.007","16.019","0.011","61.29","0.06","71.61","0.04","83","0.03","3214","3","100","2","99.97","0.12","","","","","","","","5","P -1","-P 1","2","","2,4,6-Tris(4-dihydroxyborylphenyl)-1,3,5-triazine","","- C27 H30 B3 N3 O9 -","- C27 H30 B3 N3 O9 -","- C108 H120 B12 N12 O36 -","4","2","","Gontarczyk, Krzysztof; Bury, Wojciech; Serwatowski, Janusz; Wieciński, Piotr; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Hybrid Triazine-Boron Two-Dimensional Covalent Organic Frameworks: Synthesis, Characterization, and DFT Approach to Layer Interaction Energies.","ACS applied materials & interfaces","2017","9","36","31129","31141","10.1021/acsami.7b09061","","x-ray","1.54184","CuKα","","0.4385","0.2814","","","0.5621","0.6496","","","","","","1.361","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4516650","28.825","0.006","11.472","0.002","18.905","0.004","90","","106.62","0.03","90","","5990","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H33 In3 N0 O20 P2 -","- C42 H33 In3 O20 P2 -","- C168 H132 In12 O80 P8 -","4","0.5","","Du, Xi; Fan, Ruiqing; Qiang, Liangsheng; Xing, Kai; Ye, Haoxin; Ran, Xinya; Song, Yang; Wang, Ping; Yang, Yulin","Controlled Zn<sup>2+</sup>-Triggered Drug Release by Preferred Coordination of Open Active Sites within Functionalization Indium Metal Organic Frameworks.","ACS applied materials & interfaces","2017","9","34","28939","28948","10.1021/acsami.7b09227","","","0.71073","MoKα","","0.0647","0.0526","","","0.1798","0.1944","","","","","","1.072","","","","has coordinates","239427","2020-10-21","18:00:00",""
"4516651","14.1755","0.0008","14.1755","0.0008","9.5058","0.0011","90","","90","","120","","1654.2","0.2","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H12 In N0 O7 P -","- C21 H12 In O7 P -","- C63 H36 In3 O21 P3 -","3","0.333333","","Du, Xi; Fan, Ruiqing; Qiang, Liangsheng; Xing, Kai; Ye, Haoxin; Ran, Xinya; Song, Yang; Wang, Ping; Yang, Yulin","Controlled Zn<sup>2+</sup>-Triggered Drug Release by Preferred Coordination of Open Active Sites within Functionalization Indium Metal Organic Frameworks.","ACS applied materials & interfaces","2017","9","34","28939","28948","10.1021/acsami.7b09227","","","0.71073","MoKα","","0.0199","0.0199","","","0.0428","0.0428","","","","","","1.004","","","","has coordinates","239428","2020-10-21","18:00:00",""
"4516652","16.039","0.007","13.034","0.006","42.157","0.018","90","","100.927","0.014","90","","8653","7","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H36 Cd5 N8 O28 -","- C52 H36 Cd5 N8 O28 -","- C208 H144 Cd20 N32 O112 -","4","0.5","","Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Wu, Bing-Bing; Feng, Hai-Xing; Yu, Ying; Dong, Ren-Feng","Pillar-Layered Metal-Organic Framework with Sieving Effect and Pore Space Partition for Effective Separation of Mixed Gas C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>.","ACS applied materials & interfaces","2017","9","34","29374","29379","10.1021/acsami.7b10420","","","0.71073","MoKα","","0.153","0.0895","","","0.2322","0.2603","","","","","","0.935","","","","has coordinates","239429","2020-10-21","18:00:00",""
"4516742","15.598","0.007","15.598","0.007","59.01","0.02","90","","90","","120","","12434","9","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H60 Cu3 N8 O15 -","- C78 H60 Cu3 N8 O15 -","- C468 H360 Cu18 N48 O90 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0589","0.0498","","","0.1354","0.1413","","","","","","1.051","","","","has coordinates","239501","2020-10-21","18:00:00",""
"4516743","15.7439","0.001","15.7439","0.001","61.146","0.004","90","","90","","120","","13125.7","1.5","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H66 Co3 N8 O18 -","- C78 H66 Co3 N8 O18 -","- C468 H396 Co18 N48 O108 -","6","0.333333","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.0478","0.0407","","","0.1224","0.1299","","","","","","1.059","","","","has coordinates","239502","2020-10-21","18:00:00",""
"4516744","15.7128","0.001","15.7128","0.001","60.539","0.004","90","","90","","120","","12944.1","1.4","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","- C468 H450 N48 Ni18 O135 -","1","0.0555556","","Wang, Xiao-Kun; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Li, Shun-Li; Kan, Yu-He; Li, Dong-Sheng; Lan, Ya-Qian","Monometallic Catalytic Models Hosted in Stable Metal‒Organic Frameworks for Tunable CO2 Photoreduction","ACS Catalysis","2019","9","3","1726","","10.1021/acscatal.8b04887","","","0.71073","MoKα","","0.06","0.0476","","","0.1422","0.1511","","","","","","1.06","","","","has coordinates","239503","2020-10-21","18:00:00",""
"4516815","4.7861","0.0007","5.9851","0.0009","7.9546","0.0011","83.224","0.012","75.23","0.011","84.63","0.012","218.31","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H6 Br N -","- C11 H6 Br N -","- C11 H6 Br N -","1","0.5","","Ossowski, Jakub; Wächter, Tobias; Silies, Laura; Kind, Martin; Noworolska, Agnieszka; Blobner, Florian; Gnatek, Dominika; Rysz, Jakub; Bolte, Michael; Feulner, Peter; Terfort, Andreas; Cyganik, Piotr; Zharnikov, Michael","Thiolate versus Selenolate: Structure, Stability, and Charge Transfer Properties.","ACS nano","2015","9","4","4508","4526","10.1021/acsnano.5b01109","","","0.71073","MoKα","","0.1279","0.1273","","","0.3192","0.3193","","","","","","1.411","","","","has coordinates,has disorder","265220","2021-05-14","09:56:33",""
"4516816","18.518","0.0016","6.151","0.0003","8.6436","0.0008","90","","90.291","0.007","90","","984.53","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N O -","- C11 H8 Br N O -","- C44 H32 Br4 N4 O4 -","4","1","","Ossowski, Jakub; Wächter, Tobias; Silies, Laura; Kind, Martin; Noworolska, Agnieszka; Blobner, Florian; Gnatek, Dominika; Rysz, Jakub; Bolte, Michael; Feulner, Peter; Terfort, Andreas; Cyganik, Piotr; Zharnikov, Michael","Thiolate versus Selenolate: Structure, Stability, and Charge Transfer Properties.","ACS nano","2015","9","4","4508","4526","10.1021/acsnano.5b01109","","","0.71073","MoKα","","0.0496","0.0476","","","0.1221","0.1253","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4518011","19.771","0.009","13.978","0.006","16.975","0.008","90","","90.001","","90","","4691","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H72 N15 P3 -","- C39 H72 N15 P3 -","- C156 H288 N60 P12 -","4","1","","Wang, Lebin; Zhang, Jinbo; Zhao, Na; Ren, Chuanli; Liu, Shaofeng; Li, Zhibo","Synthesis of Tris-Phosphazene Bases with Triazine as Core and Their Applications for Efficient Ring-Opening Alternating Copolymerization of Epoxide and Anhydride: Notable Effect of Basicity and Molecular Size","ACS Macro Letters","2020","9","9","1398","1402","10.1021/acsmacrolett.0c00564","","","0.71073","MoKα","","0.139","0.074","","","0.1811","0.2069","","","","","","0.88","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518012","23.6761","0.0012","7.0053","0.0003","22.401","0.0012","90","","117.192","0.001","90","","3304.8","0.3","193","2","193","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H54 N15 P3 -","- C21 H54 N15 P3 -","- C84 H216 N60 P12 -","4","1","","Wang, Lebin; Zhang, Jinbo; Zhao, Na; Ren, Chuanli; Liu, Shaofeng; Li, Zhibo","Synthesis of Tris-Phosphazene Bases with Triazine as Core and Their Applications for Efficient Ring-Opening Alternating Copolymerization of Epoxide and Anhydride: Notable Effect of Basicity and Molecular Size","ACS Macro Letters","2020","9","9","1398","1402","10.1021/acsmacrolett.0c00564","","","0.71073","MoKα","","0.0638","0.0454","","","0.1043","0.1154","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518408","17.095","0.0003","14.339","0.0002","38.364","0.0006","90","","106.233","0.001","90","","9029.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H312 N16 O19 Zn8 -","- C164 H312 N16 O19 Zn8 -","- C328 H624 N32 O38 Zn16 -","2","0.5","","Krupiński, Piotr; Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Danowski, Wojciech; Justyniak, Iwona; Lewiński, Janusz","From Uncommon Ethylzinc Complexes Supported by Ureate Ligands to Water-Soluble ZnO Nanocrystals: A Mechanochemical Approach","ACS Sustainable Chemistry & Engineering","2021","9","4","1540","1549","10.1021/acssuschemeng.0c06081","","","0.71073","MoKα","","0.0754","0.0579","","","0.1435","0.1523","","","","","","1.033","","","","has coordinates,has disorder","261497","2021-02-04","03:29:47",""
"4518484","7.272","0.002","11.453","0.004","12.792","0.004","105.317","0.011","97.72","0.011","94.62","0.01","1010.7","0.6","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 N8 O30 Zn3.5 -","- C26 H45 N8 O30 Zn3.5 -","- C26 H45 N8 O30 Zn3.5 -","1","0.5","","Li, Yixing; Zhang, Xiao; Lan, Jianwen; Li, Dazhi; Wang, Zhijiang; Xu, Ping; Sun, Jianmin","A High-Performance Zinc-Organic Framework with Accessible Open Metal Sites Catalyzes CO2 and Styrene Oxide into Styrene Carbonate under Mild Conditions","ACS Sustainable Chemistry & Engineering","2021","9","7","2795","2803","10.1021/acssuschemeng.0c08466","","","0.71073","MoKα","","0.0636","0.0625","","","0.1759","0.1765","","","","","","1.068","","","","has coordinates,has disorder","262444","2021-03-04","02:53:01",""
"4518547","7.9105","0.0008","10.1433","0.0014","12.1778","0.0013","68.787","0.005","73.015","0.004","71.871","0.005","847.74","0.17","170","2","169.96","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C40 H54 N2 O4 -","2","1","","Zhou, Kun; Hao, Hong-Yan; Mao, Yang-Jie; Wu, Qiu-Zi; Chen, Lei; Wang, Shuang; Jin, Wu; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Solvent-less Dehydrogenative C–H Etherification with Alcohols Using Mechanochemistry","ACS Sustainable Chemistry & Engineering","2021","9","12","4433","4439","10.1021/acssuschemeng.0c08201","","","1.34139","GaKα","","0.0509","0.0452","","","0.1212","0.1275","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518570","8.0272","0.0006","10.3866","0.0008","21.6398","0.0015","90","","95.314","0.003","90","","1796.5","0.2","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O6 V2 Zn -","- C14 H14 N4 O6 V2 Zn -","- C56 H56 N16 O24 V8 Zn4 -","4","1","","Tian, Hongrui; Liu, Shumei; Zhang, Zhong; Dang, Tianyi; Lu, Ying; Liu, Shuxia","Highly Stable Polyoxovanadate-Based Zn‒MOF with Dual Active Sites as a Solvent-free Catalyst for C‒C Bond Formation","ACS Sustainable Chemistry & Engineering","2021","9","12","4660","4667","10.1021/acssuschemeng.1c00389","","","0.71073","MoKα","","0.0595","0.0351","","","0.0705","0.0793","","","","","","1.061","","","","has coordinates","263590","2021-04-04","10:00:02",""
"4518716","7.3124","0.0012","8.0674","0.0014","11.1844","0.0017","90.429","0.013","96.849","0.014","93.54","0.014","653.76","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br N O2 S2 -","- C12 H8 Br N O2 S2 -","- C24 H16 Br2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.1533","0.0859","","","0.2208","0.2932","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518717","7.5012","0.0013","7.6684","0.0014","12.37","0.002","77.306","0.015","82.115","0.015","74.588","0.015","666.8","0.2","299.5","0.2","299.5","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br N O2 S2 -","- C12 H8 Br N O2 S2 -","- C24 H16 Br2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0651","0.0473","","","0.105","0.1169","","","","","","1.145","","","","has coordinates,has disorder","301843","2025-08-21","01:59:41",""
"4518718","7.4862","0.0008","7.6173","0.0007","12.26","0.0009","77.313","0.007","81.768","0.008","74.085","0.009","653.34","0.11","299.8","0.2","299.8","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl N O2 S2 -","- C12 H8 Cl N O2 S2 -","- C24 H16 Cl2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0433","0.0393","","","0.1005","0.1035","","","","","","1.078","","","","has coordinates,has disorder","265752","2021-06-04","00:58:59",""
"4518719","6.637","0.0005","24.4347","0.0018","7.9539","0.0009","90","","93.577","0.008","90","","1287.4","0.2","299.4","0.4","299.4","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O2 S2 -","- C13 H11 N O2 S2 -","- C52 H44 N4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0538","0.0352","","","0.0663","0.0749","","","","","","1.102","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518720","5.4415","0.0011","7.9266","0.0009","30.427","0.005","90","","94.695","0.019","90","","1308","0.4","299.1","0.3","299.1","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 S2 -","- C13 H9 Cl O2 S2 -","- C52 H36 Cl4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.1121","0.0966","","","0.2322","0.2589","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518721","5.4811","0.0003","7.9282","0.0003","30.7236","0.0013","90","","95.134","0.005","90","","1329.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br O2 S2 -","- C13 H9 Br O2 S2 -","- C52 H36 Br4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0499","0.0443","","","0.1248","0.1304","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518722","5.9037","0.0002","12.98","0.0004","17.9041","0.0006","90","","90","","90","","1371.99","0.08","299.4","0.3","299.4","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.0744","0.0757","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518723","5.7416","0.0003","13.0516","0.001","14.497","0.0008","90","","90","","90","","1086.36","0.12","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F2 S2 -","- C12 H8 F2 S2 -","- C48 H32 F8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0779","0.0609","","","0.1362","0.1578","","","","","","1.193","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4518724","7.7242","0.0008","28.033","0.004","5.9565","0.0005","90","","90","","90","","1289.8","0.3","293","","293","","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C48 H32 Br8 S8 -","4","0.5","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","0.71","MoKα","","0.093","0.0535","","","0.0993","0.1186","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:59:41",""
"4519018","8.6254","0.0003","8.9016","0.0003","10.8499","0.0003","80.225","0.003","85.954","0.003","77.248","0.003","800.24","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F N O2 P -","- C19 H15 F N O2 P -","- C38 H30 F2 N2 O4 P2 -","2","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0297","0.0277","","","0.0699","0.0714","","","","","","1.038","","","","has coordinates","268443","2021-09-03","21:23:48",""
"4519019","11.1796","0.0004","12.4375","0.0006","14.5087","0.0007","102.974","0.004","93.417","0.004","104.758","0.004","1886.37","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O4 P -","- C21 H20 N O4 P -","- C84 H80 N4 O16 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0369","0.0318","","","0.0798","0.083","","","","","","1.01","","","","has coordinates","268443","2021-09-03","21:23:49",""
"4519020","8.7838","0.0004","8.7951","0.0004","20.4442","0.0008","90.45","0.003","93.891","0.003","117.301","0.004","1398.88","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N O2 P -","- C15 H16 N O2 P -","- C60 H64 N4 O8 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0404","0.0356","","","0.1038","0.1059","","","","","","1.058","","","","has coordinates","268443","2021-09-03","21:23:49",""
"4519021","13.2516","0.0002","14.607","0.0002","17.427","0.0003","108.164","0.001","109.21","0.001","94.747","0.001","2961.45","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N O2 P -","- C16 H18 N O2 P -","- C128 H144 N8 O16 P8 -","8","4","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0302","0.0281","","","0.0762","0.0779","","","","","","1.034","","","","has coordinates,has disorder","268443","2021-09-03","21:23:49",""
"4519022","8.7408","0.0002","10.399","0.0003","11.263","0.0003","82.043","0.002","85.124","0.002","82.282","0.002","1002.41","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.01 H44.01 N2 O4 P2 -","- C47.014 H44.014 N2 O4 P2 -","- C47.014 H44.014 N2 O4 P2 -","1","0.5","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0898","0.0905","","","","","","1.049","","","","has coordinates,has disorder","268443","2021-09-03","21:23:50",""
"4519023","8.4872","0.0003","11.6741","0.0005","16.8354","0.0006","108.405","0.004","96.291","0.003","90.405","0.003","1571.67","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N O3 P -","- C18 H16 N O3 P -","- C72 H64 N4 O12 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.06","0.0388","","","0.0852","0.0953","","","","","","1.025","","","","has coordinates,has disorder","268443","2021-09-03","21:23:50",""
"4519024","12.1934","0.0001","10.7695","0.0001","13.8808","0.0001","90","","105.735","0.001","90","","1754.48","0.03","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl N O P S -","- C19 H15 Cl N O P S -","- C76 H60 Cl4 N4 O4 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0287","0.0278","","","0.0725","0.0732","","","","","","1.06","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519025","12.1983","0.0001","10.781","0.0001","13.9142","0.0001","90","","104.72","0.001","90","","1769.8","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O2 P S -","- C20 H18 N O2 P S -","- C80 H72 N4 O8 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0664","0.0666","","","","","","1.03","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519026","18.8671","0.0001","11.7269","0.0001","16.0554","0.0001","90","","95.579","0.001","90","","3535.47","0.04","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N2 O3 P S -","- C19 H15 N2 O3 P S -","- C152 H120 N16 O24 P8 S8 -","8","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.027","0.0269","","","0.0735","0.0736","","","","","","1.071","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519027","9.0779","0.0001","16.1069","0.0002","10.5344","0.0001","90","","102.06","0.001","90","","1506.31","0.03","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N O P S -","- C16 H16 N O P S -","- C64 H64 N4 O4 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0646","","","","","","1.052","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519080","17.223","0.004","8.252","0.002","15.149","0.004","90","","99.137","0.004","90","","2125.7","0.9","130","2","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 B F4 N2 O2 -","- C18 H33 B F4 N2 O2 -","- C72 H132 B4 F16 N8 O8 -","4","1","","del Río, Enrique; Vidil, Thomas; Gati, Wafa; Grau, Étienne; Taton, Daniel; Cramail, Henri","Ester-Containing Imidazolium-Type Ionic Liquid Crystals Derived from Bio-based Fatty Alcohols","ACS Sustainable Chemistry & Engineering","2021","9","37","12687","12698","10.1021/acssuschemeng.1c05122","","","1.54178","CuKα","","0.0824","0.0702","","","0.1801","0.189","","","","","","0.955","","","","has coordinates","269502","2021-10-03","21:17:00",""
"4519192","12.4443","0.001","12.4258","0.0011","18.7974","0.0017","90","","108.271","0.003","90","","2760.1","0.4","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C40 H70 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","1","0.25","","Chen, Yanhong; Chang, Shenzhen; An, Haiyan; Li, Yanqin; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Two Polymorphic Polyoxometalate-Based Metal–Organic Frameworks for the Efficient Synthesis of Functionalized Sulfoxides and Detoxification of Mustard Gas Simulants","ACS Sustainable Chemistry & Engineering","2021","9","46","15683","15693","10.1021/acssuschemeng.1c06433","","","0.71073","MoKα","","0.1033","0.0499","","","0.1009","0.1171","","","","","","1.011","","","","has coordinates","271058","2021-12-03","22:39:13",""
"4519193","12.398","0.003","12.41","0.003","18.721","0.004","90","","109.145","0.009","90","","2721.1","1.1","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C40 H70 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","1","0.25","","Chen, Yanhong; Chang, Shenzhen; An, Haiyan; Li, Yanqin; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Two Polymorphic Polyoxometalate-Based Metal–Organic Frameworks for the Efficient Synthesis of Functionalized Sulfoxides and Detoxification of Mustard Gas Simulants","ACS Sustainable Chemistry & Engineering","2021","9","46","15683","15693","10.1021/acssuschemeng.1c06433","","","0.71073","MoKα","","0.1049","0.0815","","","0.1907","0.1999","","","","","","1.071","","","","has coordinates","271058","2021-12-03","22:39:14",""
"4519267","31.3976","0.0009","6.9692","0.0002","19.2078","0.0005","90","","125.086","0.002","90","","3439.25","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Cl N2 O -","- C22 H15 Cl N2 O -","- C176 H120 Cl8 N16 O8 -","8","1","","Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai","Organocatalytic Electrosynthesis of Cinnolines through Cascade Radical Cyclization and Migration","ACS Sustainable Chemistry & Engineering","2021","9","50","16989","16996","10.1021/acssuschemeng.1c05810","","","1.54178","CuKα","","0.0655","0.0543","","","0.1459","0.1602","","","","","","1.007","","","","has coordinates","271762","2022-01-03","22:40:18",""
"4519268","11.1841","0.0005","11.7671","0.0004","12.2739","0.0006","90","","105.7","0.005","90","","1555.04","0.12","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F2 N2 O -","- C19 H20 F2 N2 O -","- C76 H80 F8 N8 O4 -","4","1","","Niu, Kaikai; Zhou, Pan; Ding, Ling; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin","Photoelectrochemical Decarboxylative C–H Alkylation of Quinoxalin-2(1H)-ones","ACS Sustainable Chemistry & Engineering","2021","9","49","16820","16828","10.1021/acssuschemeng.1c06702","","x-ray","0.71073","MoKα","","0.082","0.0533","","","0.1263","0.1501","","","","","","1.04","","","","has coordinates","271764","2022-01-03","22:40:42",""
"5000076","7.61","","11.01","","17.27","","90","","90","","90","","1446.99","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 I2 N2 -","- C10 H16 I2 N2 -","- C40 H64 I8 N8 -","4","1","","Koo, Chung Hoe; Kim, Hoon Sup","The Crystal Structure of Nicotine Dihydroiodide","Journal of the Korean Chemical Society","1965","9","3","134","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"5000224","4.737","0.001","4.737","0.001","3.185","0.001","90","","90","","90","","71.5","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Tin(IV) oxide","Cassiterite","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Baur, W. H.","Über die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps: TiO~2~, SnO~2~, GeO~2~ und MgF~2~","Acta Crystallographica","1956","9","6","515","520","10.1107/S0365110X56001388","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"6000270","11.2728","","11.2728","","9.803","","90","","90","","90","","1245.73","","","","","","","","","","","","","3","I 41/a","","","","","","- Mn3 O8 Ta2 -","","","","","","Grins, J.; Esmaeilzadeh, S.; Berastegui, P.; Eriksson, S.","Determination of the magnetic structure at 10 k of Mn3Ta2O8, and refinement of the crystal structure at 295 K, using neutron powder diffraction data","Journal of Materials Chemistry","1999","9","","1575","1578","10.1039/a902149c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000355","7.508","","8.881","","8.961","","90","","107.22","","90","","570.72","","","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C2 H10 F4 N2 O8 P2 Ti2 -","","","","","","Serre, C.; Ferey, G.","Hydrothermal synthesis and ab initio structural approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O","Journal of Materials Chemistry","1999","9","","579","584","10.1039/a802710b","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000356","16.82","","6.333","","6.331","","90","","106.2","","90","","647.61","","","","","","","","","","","","","7","C 1 2 1","","","","","","- C3 H14 F4 N2 O9 P2 Ti2 -","","","","","","Serre, C.; Ferey, G.","Hydrothermal synthesis and ab initio structural approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)(2)F4.N2C2H10(MIL-6) and Ti2(PO4)(2)F4.N2C3H12.H2O","Journal of Materials Chemistry","1999","9","","579","584","10.1039/a802710b","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000680","10.3749","","6.6077","","9.9094","","90.762","","115.265","","90.162","","614.27","","","","","","","","","","","","","6","P -1","","","","","","- C2 H16 Al2 N2 O12 P2 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Layered aluminophosphates II. Crystal structure and thermal behaviour of the layered aluminophosphate UiO-15 and its high temperature variants","Journal of Materials Chemistry","1999","9","","1591","1598","10.1039/a901407a","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000681","10.289","","6.7508","","9.6253","","90","","116.124","","90","","600.26","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C2 H12 Al2 N2 O10 P2 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Layered aluminophosphates II. Crystal structure and thermal behaviour of the layered aluminophosphate UiO-15 and its high temperature variants","Journal of Materials Chemistry","1999","9","","1591","1598","10.1039/a901407a","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000682","9.4218","","6.9137","","9.4082","","90","","113.002","","90","","564.12","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C2 H10 Al2 N2 O9 P2 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Layered aluminophosphates II. Crystal structure and thermal behaviour of the layered aluminophosphate UiO-15 and its high temperature variants","Journal of Materials Chemistry","1999","9","","1591","1598","10.1039/a901407a","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7120919","17.435","0.002","19.1274","0.0019","22.985","0.003","90","","110.64","0.013","90","","7173.2","1.6","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C36 H33 N8 Ni O10 -","- C36 H32.5 N8 Ni O10 -","- C288 H260 N64 Ni8 O80 -","8","2","","Yang, Jing-Mei; Zhu, Yan-Hong; Chen, Sheng; Lu, Xing; Wu, Yi-Ming; Ma, Feng-E; Li, Liang-Ping; Yang, Yang; Shi, Zhen-Hao; Huang, Kun-Yuan; Hong, Xue; Jiang, Ping; Peng, Yan","A β-carboline derivative-based nickel(ii) complex as a potential antitumor agent: synthesis, characterization, and cytotoxicity.","MedChemComm","2018","9","1","100","107","10.1039/c7md00428a","","x-ray","0.71073","MoKα","","0.1813","0.0733","","","0.1292","0.1877","","","","","","0.985","","","","has coordinates","230130","2020-10-21","18:00:00",""
"7121054","9.4142","0.0008","10.2389","0.0008","11.9095","0.001","87.064","0.007","67.901","0.008","71.422","0.007","1005.13","0.16","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 Cl Cu N4 O S -","- C21 H18 Cl Cu N4 O S -","- C42 H36 Cl2 Cu2 N8 O2 S2 -","2","1","","Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen","DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes.","MedChemComm","2018","9","2","337","343","10.1039/c7md00462a","","","1.54184","CuKα","","0.0515","0.0376","","","0.0893","0.0964","","","","","","1.042","","","","has coordinates","230132","2020-10-21","18:00:00",""
"7121055","9.7938","0.0003","19.0133","0.0015","14.1848","0.0008","90","","103.517","0.004","90","","2568.2","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C38 H28 Br3 Cu2 N6 O -","- C38 H28 Br3 Cu2 N6 O -","- C76 H56 Br6 Cu4 N12 O2 -","2","0.5","","Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen","DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes.","MedChemComm","2018","9","2","337","343","10.1039/c7md00462a","","","1.54184","CuKα","","0.1282","0.0794","","","0.2185","0.2373","","","","","","0.981","","","","has coordinates","230132","2020-10-21","18:00:00",""
"7121167","6.0637","0.0007","6.3295","0.0008","17.0569","0.0017","82.559","0.009","81.097","0.009","72.642","0.01","614.89","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N6 O2 Si -","- C9 H14 N6 O2 Si -","- C18 H28 N12 O4 Si2 -","2","1","","Cousin, David; Hummersone, Marc G.; Bradshaw, Tracey D.; Zhang, Jihong; Moody, Christopher J.; Foreiter, Magdalena B.; Summers, Helen S.; Lewis, William; Wheelhouse, Richard T.; Stevens, Malcolm F. G.","Synthesis and growth-inhibitory activities of imidazo[5,1-<i>d</i>]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position.","MedChemComm","2018","9","3","545","553","10.1039/c7md00554g","","x-ray","1.54184","CuKα","","0.0905","0.0825","","","0.2166","0.2225","","","","","","1.074","","","","has coordinates","301860","2025-08-22","09:23:51",""
"7121168","7.5168","0.001","9.0109","0.0015","11.412","0.0015","88.485","0.012","78.814","0.011","86.275","0.012","756.61","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 N6 O3 Si -","- C11 H18 N6 O3 Si -","- C22 H36 N12 O6 Si2 -","2","1","","Cousin, David; Hummersone, Marc G.; Bradshaw, Tracey D.; Zhang, Jihong; Moody, Christopher J.; Foreiter, Magdalena B.; Summers, Helen S.; Lewis, William; Wheelhouse, Richard T.; Stevens, Malcolm F. G.","Synthesis and growth-inhibitory activities of imidazo[5,1-<i>d</i>]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position.","MedChemComm","2018","9","3","545","553","10.1039/c7md00554g","","x-ray","1.54184","CuKα","","0.0452","0.041","","","0.1096","0.1139","","","","","","1.041","","","","has coordinates","301860","2025-08-22","09:24:00",""
"7121233","11.5669","0.0004","22.0229","0.0006","24.962","0.0007","90","","98.749","0.003","90","","6284.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ru5","","- C58.5 H60 Cl4 N6 O5.5 Ru2 S4 -","- C58.5 H60 Cl4 N6 O5.5 Ru2 S4 -","- C234 H240 Cl16 N24 O22 Ru8 S16 -","4","1","","Qin, Qi-Pin; Meng, Ting; Tan, Ming-Xiong; Liu, Yan-Cheng; Wang, Shu-Long; Zou, Bi-Qun; Liang, Hong","Synthesis, characterization and biological evaluation of six highly cytotoxic ruthenium(ii) complexes with 4'-substituted-2,2':6',2''-terpyridine.","MedChemComm","2018","9","3","525","533","10.1039/c7md00532f","","x-ray","0.71073","MoKα","","0.0897","0.0583","","","0.1559","0.176","","","","","","1.033","","","","has coordinates","230146","2020-10-21","18:00:00",""
"7121289","7.6192","0.0005","10.3601","0.0007","13.1271","0.0009","102.578","0.004","92.847","0.004","101.855","0.004","984.91","0.12","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","3-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)-5-(trimethylsilyl)isoxazole","","- C19 H20 F N O3 S Si -","- C19 H20 F N O3 S Si -","- C38 H40 F2 N2 O6 S2 Si2 -","2","1","","Roscales, Silvia; Bechmann, Nicole; Weiss, Daniel Holger; Köckerling, Martin; Pietzsch, Jens; Kniess, Torsten","Novel valdecoxib derivatives by ruthenium(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes - synthesis and COX-2 inhibition activity.","MedChemComm","2018","9","3","534","544","10.1039/c7md00575j","","","0.71073","MoKα","","0.1649","0.0577","","","0.1078","0.1386","","","","","","0.947","","","","has coordinates","301860","2025-08-22","09:24:06",""
"7121290","9.705","0.006","9.854","0.006","11.726","0.008","65.43","0.03","68.51","0.03","76.92","0.02","945.3","1.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","4-(3-(4-fluorophenyl)-5-(trimethylsilyl)isoxazol-4-yl)benzenesulfonamide","","- C18 H19 F N2 O3 S Si -","- C18 H19 F N2 O3 S Si -","- C36 H38 F2 N4 O6 S2 Si2 -","2","1","","Roscales, Silvia; Bechmann, Nicole; Weiss, Daniel Holger; Köckerling, Martin; Pietzsch, Jens; Kniess, Torsten","Novel valdecoxib derivatives by ruthenium(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes - synthesis and COX-2 inhibition activity.","MedChemComm","2018","9","3","534","544","10.1039/c7md00575j","","","0.71073","MoKα","","0.0803","0.0487","","","0.111","0.1273","","","","","","1.05","","","","has coordinates","301860","2025-08-22","09:24:06",""
"7121489","26.3056","0.0013","9.4798","0.0004","16.1346","0.0006","90","","106.786","0.002","90","","3852.1","0.3","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N3 O6 Re S2 -","- C15 H14 N3 O6 Re S2 -","- C120 H112 N24 O48 Re8 S16 -","8","2","","Mašković, Jelena M; Hatzidimitriou, Antonios; Damjanović, Ana; Stanojković, Tatjana P; Trifunović, Srećko R; Geronikaki, Athina A.; Papagiannopoulou, Dionysia","Synthesis, characterization and biological evaluation of Pd(ii), Cu(ii), Re(i) and <sup>99m</sup>Tc(i) thiazole-based complexes.","MedChemComm","2018","9","5","831","842","10.1039/c8md00067k","","x-ray","0.71073","MoKα","","0.0741","0.0362","","0.0601","0.0538","0.0538","","","","","","1","","","","has coordinates","230131","2020-10-21","18:00:00",""
"7121490","19.911","0.011","8.771","0.004","8.088","0.004","90","","93.416","0.015","90","","1410","1.2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl2 Cu N4 S4 -","- C24 H28 Cl2 Cu N4 S4 -","- C48 H56 Cl4 Cu2 N8 S8 -","2","0.5","","Mašković, Jelena M; Hatzidimitriou, Antonios; Damjanović, Ana; Stanojković, Tatjana P; Trifunović, Srećko R; Geronikaki, Athina A.; Papagiannopoulou, Dionysia","Synthesis, characterization and biological evaluation of Pd(ii), Cu(ii), Re(i) and <sup>99m</sup>Tc(i) thiazole-based complexes.","MedChemComm","2018","9","5","831","842","10.1039/c8md00067k","","x-ray","0.71073","MoKα","","0.0712","0.047","","0.1036","0.1012","0.1012","","","","","","0.9997","","","","has coordinates","230131","2020-10-21","18:00:00",""
"7121580","6.8428","0.0004","12.319","0.0008","21.388","0.0012","90","","90","","90","","1802.93","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0519","0.0452","","","0.1193","0.1259","","","","","","1.025","","","","has coordinates","301860","2025-08-22","09:24:07",""
"7121581","11.4355","0.0016","7.2184","0.0007","14.3262","0.0012","90","","92.092","0.01","90","","1181.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0562","0.0468","","","0.1277","0.1393","","","","","","1.074","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121582","7.8675","0.0002","12.2525","0.0004","23.0556","0.0008","90","","90","","90","","2222.48","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 -","- C28 H32 N2 -","- C112 H128 N8 -","4","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0584","0.0543","","","0.1516","0.1586","","","","","","1.045","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121616","17.423","0.0007","6.0728","0.0002","20.2071","0.0007","90","","103.62","0.004","90","","2077.92","0.13","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione","","- C23 H27 Cl0 F N4 O3 -","- C23 H27 F N4 O3 -","- C92 H108 F4 N16 O12 -","4","1","","Kucwaj-Brysz, Katarzyna; Kurczab, Rafał; Żesławska, Ewa; Lubelska, Annamaria; Marć, Małgorzata Anna; Latacz, Gniewomir; Satała, Grzegorz; Nitek, Wojciech; Kieć-Kononowicz, Katarzyna; Handzlik, Jadwiga","The role of aryl-topology in balancing between selective and dual 5-HT<sub>7</sub>R/5-HT<sub>1A</sub> actions of 3,5-substituted hydantoins.","MedChemComm","2018","9","6","1033","1044","10.1039/c8md00168e","","x-ray","0.71073","MoKα","","0.112","0.0738","","","0.1793","0.2028","","","","","","1.06","","","","has coordinates","230135","2020-10-21","18:00:00",""
"7121694","5.097","0.002","11.161","0.005","20.474","0.01","76.969","0.009","86.696","0.011","84.67","0.012","1129","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 N6 O12 S2 -","- C43 H39 N6 O12 S2 -","- C43 H39 N6 O12 S2 -","1","0.5","","Chen, Cheng; Xiang, Yang; Liu, Ya; Hu, Xiangdong; Yang, Ke-Wu","Mercaptoacetate thioesters and their hydrolysate mercaptoacetic acids jointly inhibit metallo-β-lactamase L1.","MedChemComm","2018","9","7","1172","1177","10.1039/c8md00091c","","","0.71073","MoKα","","0.3012","0.2141","","","0.4191","0.4764","","","","","","1.187","","","","has coordinates","230137","2020-10-21","18:00:00",""
"7121719","9.949","0.002","15.604","0.003","11.098","0.002","90","","104.703","0.004","90","","1666.5","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","","Sun, Wuji; Fang, Shubiao; Yan, Hong","Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking.","MedChemComm","2018","9","6","1054","1058","10.1039/c8md00057c","","","0.71073","MoKα","","0.0485","0.0389","","","0.0988","0.1047","","","","","","1.044","","","","has coordinates","301860","2025-08-22","09:24:07",""
"7121720","5.4568","0.0007","7.5939","0.0005","45.622","0.003","90","","90","","90","","1890.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Sun, Wuji; Fang, Shubiao; Yan, Hong","Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking.","MedChemComm","2018","9","6","1054","1058","10.1039/c8md00057c","","","0.71073","MoKα","","0.0303","0.0298","","","0.0739","0.0743","","","","","","1.079","","","","has coordinates","301860","2025-08-22","09:24:07",""
"7121827","9.814","0.002","9.916","0.002","25.156","0.005","90","","90.477","0.004","90","","2448","0.9","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N7 O2 -","- C27 H29 N7 O2 -","- C108 H116 N28 O8 -","4","1","","Karvande, Anirudha; Khan, Shahnawaz; Khan, Irfan; Singh, Deepti; Khedgikar, Vikram; Kushwaha, Priyanka; Ahmad, Naseer; Kothari, Priyanka; Dhasmana, Anupam; Kant, Ruchir; Trivedi, Ritu; Chauhan, Prem M. S.","Discovery of a tetrazolyl β-carboline with <i>in vitro</i> and <i>in vivo</i> osteoprotective activity under estrogen-deficient conditions.","MedChemComm","2018","9","7","1213","1225","10.1039/c8md00109j","","","0.71073","MoKα","","0.1147","0.0633","","","0.1445","0.1895","","","","","","1.078","","","","has coordinates","301860","2025-08-22","09:24:07",""
"7121917","37.512","0.005","7.28","0.005","12.978","0.005","90","","90","","90","","3544","3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-chloro-N-(3-(piperidin-1-yl)propyl)quinoline-2-carboxamide","","- C18 H22 Cl N3 O -","- C18 H22 Cl N3 O -","- C144 H176 Cl8 N24 O8 -","8","2","","Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea","Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures.","MedChemComm","2018","9","9","1466","1471","10.1039/c8md00233a","","","0.71073","MoKα","","0.263","0.0385","","","0.0396","0.056","","","","","","0.586","","","","has coordinates","301860","2025-08-22","09:24:08",""
"7121918","11.3833","0.0006","11.7128","0.0006","15.0977","0.0008","90","","103.83","0.006","90","","1954.62","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((1-butylpiperidin-4-yl)methyl)-8-hydroxyquinoline-2-carboxamide hydrate","","- C20 H29 N3 O3 -","- C20 H29 N3 O3 -","- C80 H116 N12 O12 -","4","1","","Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea","Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures.","MedChemComm","2018","9","9","1466","1471","10.1039/c8md00233a","","","0.71073","MoKα","","0.1215","0.0448","","","0.0853","0.0969","","","","","","0.766","","","","has coordinates,has disorder","301860","2025-08-22","09:24:08",""
"7122121","11.425","0.0002","15.9927","0.0003","11.939","0.0002","90","","105.051","0.001","90","","2106.62","0.07","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N3 O2 Pt S -","- C20 H18 Cl2 N3 O2 Pt S -","- C80 H72 Cl8 N12 O8 Pt4 S4 -","4","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.1098","0.1004","","","0.2294","0.2354","","","","","","1.08","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122122","8.5196","0.0001","9.9538","0.0002","10.8961","0.0002","95.033","0.001","90.166","0.001","98.338","0.001","910.61","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Cl2 N2 O3 Pt S -","- C17 H14 Cl2 N2 O3 Pt S -","- C34 H28 Cl4 N4 O6 Pt2 S2 -","2","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0544","0.0503","","","0.1256","0.1279","","","","","","1.099","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122123","8.594","0.0001","11.5135","0.0002","21.0202","0.0003","90","","108.188","0.001","90","","1975.97","0.05","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 I N2 O3 Pt S -","- C17 H13 Cl2 I N2 O3 Pt S -","- C68 H52 Cl8 I4 N8 O12 Pt4 S4 -","4","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0704","0.0512","","","0.1536","0.1658","","","","","","1.044","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122124","23.8724","0.0005","7.916","0.0002","23.4616","0.0005","90","","106.984","0.001","90","","4240.26","0.17","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Br Cl2 N2 O4 Pt S -","- C18 H17 Br Cl2 N2 O4 Pt S -","- C144 H136 Br8 Cl16 N16 O32 Pt8 S8 -","8","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0484","0.0337","","","0.0785","0.0838","","","","","","1.07","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122205","10.474","0.003","11.271","0.003","17.518","0.005","90","","96.136","0.009","90","","2056.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl F N2 O3 -","- C24 H19 Cl F2 N2 O2 -","- C96 H76 Cl4 F8 N8 O8 -","4","1","","Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul","New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.","MedChemComm","2018","9","11","1891","1904","10.1039/c8md00312b","","","0.71073","MoKα","","0.0941","0.052","","","0.1054","0.1246","","","","","","1.029","","","","has coordinates","230141","2020-10-21","18:00:00",""
"7122206","5.35","0.004","14.08","0.011","14.717","0.011","101","0.03","90.44","0.03","97.24","0.03","1079","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cl N2 O2 -","- C25 H23 Cl N2 O2 -","- C50 H46 Cl2 N4 O4 -","2","1","","Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul","New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.","MedChemComm","2018","9","11","1891","1904","10.1039/c8md00312b","","","0.71073","MoKα","","0.3659","0.1973","","","0.3719","0.4426","","","","","","1.172","","","","has coordinates","301860","2025-08-22","09:24:08",""
"7122245","56.225","0.004","4.6615","0.0003","14.0454","0.0009","90","","101.729","0.004","90","","3604.3","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O6 -","- C21 H22 O6 -","- C168 H176 O48 -","8","1","","Maguire, Casey J.; Chen, Zhi; Mocharla, Vani P.; Sriram, Madhavi; Strecker, Tracy E.; Hamel, Ernest; Zhou, Heling; Lopez, Ramona; Wang, Yifan; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis of dihydronaphthalene analogues inspired by combretastatin A-4 and their biological evaluation as anticancer agents.","MedChemComm","2018","9","10","1649","1662","10.1039/c8md00322j","","","0.71073","MoKα","","0.0924","0.0468","","","0.0937","0.1113","","","","","","1.015","","","","has coordinates","301860","2025-08-22","09:24:08",""
"7122246","12.1996","0.0005","6.7253","0.0002","20.3499","0.0009","90","","94.1342","0.0015","90","","1665.28","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Maguire, Casey J.; Chen, Zhi; Mocharla, Vani P.; Sriram, Madhavi; Strecker, Tracy E.; Hamel, Ernest; Zhou, Heling; Lopez, Ramona; Wang, Yifan; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis of dihydronaphthalene analogues inspired by combretastatin A-4 and their biological evaluation as anticancer agents.","MedChemComm","2018","9","10","1649","1662","10.1039/c8md00322j","","","0.71073","MoKα","","0.0587","0.046","","","0.131","0.1366","","","","","","1.671","","","","has coordinates","301860","2025-08-22","09:24:08",""
"7122375","13.2482","0.0009","8.2243","0.0004","10.2827","0.0007","90","","111.265","0.003","90","","1044.09","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 S -","- C9 H11 N3 S -","- C36 H44 N12 S4 -","4","1","","Mathew, Bijo; Baek, Seung Cheol; Grace Thomas Parambi, Della; Pil Lee, Jae; Joy, Monu; Annie Rilda, P. R.; Randev, Rugma V.; Nithyamol, P.; Vijayan, Vijitha; Inasu, Sini T.; Mathew, Githa Elizabeth; Lohidakshan, Krishnakumar K.; Kumar Krishnan, Girish; Kim, Hoon","Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors.","MedChemComm","2018","9","11","1871","1881","10.1039/c8md00399h","","","0.71073","MoKα","","0.1115","0.0558","","","0.1069","0.127","","","","","","1.031","","","","has coordinates","301860","2025-08-22","09:24:08",""
"7122487","7.3307","0.0004","20.5418","0.0009","8.597","0.0004","90","","90","","90","","1294.59","0.11","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-(-)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","x-ray","1.54184","CuKα","","0.0968","0.0952","","","0.237","0.2388","","","","","","1.073","","","","has coordinates","230139","2020-10-21","18:00:00",""
"7122488","21.431","0.0013","8.483","0.0018","7.516","0.003","90","","90","","90","","1366.4","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","R,S-2-(2,6-dimethylphenoxy)-N-(2-hydroxybutyl)acetamide","","- C14 H20 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","","0.71073","MoKα","","0.1133","0.0851","","","0.1979","0.215","","","","3.032","3.032","1.092","","","","has coordinates,has disorder","230139","2020-10-21","18:00:00",""
"7122489","7.3182","0.0008","20.524","0.002","8.5965","0.0012","90","","90","","90","","1291.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","S-(+)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","","1.5418","CuKα","","0.0998","0.0913","","","0.2315","0.2408","","","","","","1.076","","","","has coordinates","230139","2020-10-21","18:00:00",""
"7122519","8.2861","0.001","9.8316","0.001","18.092","0.002","90","","90","","90","","1473.9","0.3","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1383","0.1193","","","0.237","0.268","","","","","","1.09","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122520","8.1993","0.0002","9.5498","0.0002","18.6176","0.0004","90","","90","","90","","1457.79","0.06","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1089","0.0973","","","0.1872","0.2007","","","","","","1.17","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122521","4.674","0.0002","12.9175","0.0007","21.3349","0.0007","90","","90","","90","","1288.12","0.1","295","2","295","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0632","0.0429","","","0.0953","0.1058","","","","","","1.032","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122522","8.8306","0.0003","10.0761","0.0003","17.1204","0.0006","90","","90","","90","","1523.34","0.09","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0425","0.0362","","","0.0849","0.0888","","","","","","1.047","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122523","7.6832","0.0002","7.5202","0.0003","11.6492","0.0004","90","","91.533","0.003","90","","672.84","0.04","294","2","294","2","","","","","","","synthetic","3","P 1 21 1","P 2yb","4","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C14 H16 O5 -","- C14 H16 O5 -","- C28 H32 O10 -","2","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0411","0.0387","","","0.0961","0.098","","","","","","1.063","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122524","11.0585","0.0004","11.4256","0.0003","11.8876","0.0004","90","","90","","90","","1502","0.08","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0419","0.0389","","","0.096","0.0977","","","","","","1.087","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122525","10.819","0.002","14.713","0.003","30.167","0.006","90","","96.24","0.03","90","","4773.5","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H70 N6 O10 -","- C48 H70 N6 O10 -","- C192 H280 N24 O40 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0674","0.061","","","0.1517","0.1566","","","","","","1.042","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122526","10.6401","0.0009","13.1077","0.0013","11.089","0.0011","90","","111.31","0.004","90","","1440.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-[(1R,2E,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylidene]-2-furohydrazide (-)","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.71073","MoKα","","0.0922","0.0469","","","0.1024","0.1221","","","","","","1.008","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122527","10.949","0.002","15.752","0.003","31.273","0.006","90","","98.92","0.03","90","","5328.4","1.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H74 N6 O8 -","- C58 H74 N6 O8 -","- C232 H296 N24 O32 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0975","0.0751","","","0.1601","0.1779","","","","","","1.012","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7122579","6.9872","0.0005","15.5151","0.001","19.425","0.0013","90","","98.467","0.002","90","","2082.9","0.2","136","2","136","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.19048 H3.19048 N0.190476 O0.190476 -","- C92 H134 N8 O8 -","42","21","","Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang","Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives.","MedChemComm","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0671","0.0484","","","0.1098","0.1195","","","","","","1.027","","","","has coordinates","230144","2020-10-21","18:00:00",""
"7122580","10.3659","0.0009","7.0531","0.0006","16.9815","0.0015","90","","92.543","0.002","90","","1240.32","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 -","- C25 H37 N3 O5 -","- C50 H74 N6 O10 -","2","1","","Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang","Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives.","MedChemComm","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0542","0.0443","","","0.1109","0.1165","","","","","","1.048","","","","has coordinates","301860","2025-08-22","09:24:09",""
"7124502","10.093","0.003","10.384","0.003","10.818","0.003","78.634","0.004","65.151","0.004","71.085","0.004","970.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cu N4 O8 -","- C18 H14 Cu N4 O8 -","- C36 H28 Cu2 N8 O16 -","2","1","","Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei","Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity.","MedChemComm","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0414","0.0332","","","0.0911","0.0964","","","","","","1.05","","","","has coordinates","301860","2025-08-22","09:26:36",""
"7124503","9.784","0.008","12.52","0.011","15.403","0.013","90","","101.907","0.013","90","","1846","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl2 Cu N2 O2 -","- C19 H16 Cl2 Cu N2 O2 -","- C76 H64 Cl8 Cu4 N8 O8 -","4","1","","Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei","Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity.","MedChemComm","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0321","0.0254","","","0.067","0.0709","","","","","","1.047","","","","has coordinates","227867","2020-10-21","18:00:00",""
"7124504","8.818","0.005","9.995","0.006","13.151","0.007","99.756","0.009","104.779","0.008","103.63","0.008","1056.2","1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 N4 O14 S2 -","- C38 H32 Cu2 N4 O14 S2 -","- C38 H32 Cu2 N4 O14 S2 -","1","0.5","","Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei","Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity.","MedChemComm","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0909","0.0682","","","0.2084","0.2307","","","","","","1.063","","","","has coordinates,has disorder","227867","2020-10-21","18:00:00",""
"7124505","7.24927","0.00018","12.5565","0.0003","19.2992","0.0005","90","","90","","90","","1756.72","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-{3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl}ethyl)-2-methylprop-2-enamide","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias","DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity.","MedChemComm","2018","9","7","1206","1212","10.1039/c8md00192h","","","1.54178","CuKα","","0.0322","0.0318","","","0.0836","0.0841","","","","","","1.062","","","","has coordinates","301860","2025-08-22","09:26:36",""
"7124506","7.1337","0.0001","25.555","0.0005","7.1778","0.0001","90","","101.331","0.0007","90","","1283.02","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias","DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity.","MedChemComm","2018","9","7","1206","1212","10.1039/c8md00192h","","","1.54178","CuKα","","0.039","0.0379","","","0.1017","0.1028","","","","","","1.048","","","","has coordinates","227868","2020-10-21","18:00:00",""
"7151626","18.124","0.0013","18.124","0.0013","9.8424","0.0008","90","","90","","90","","3233","0.4","273","2","273","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H18 O4 Se2 -","- C16 H18 O4 Se2 -","- C128 H144 O32 Se16 -","8","0.5","","Tripathi, Santosh K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","2-Phenoxyethanol derived diselenide and related compounds; synthesis of a seven-membered seleninate ester.","Organic & biomolecular chemistry","2011","9","2","581","587","10.1039/C0OB00038H","","","0.71073","MoKα","","0.1","0.0323","","","0.0567","0.0902","","","","","","1.157","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151627","15.814","0.0012","15.1093","0.0014","18.2919","0.0013","90","","93.682","0.009","90","","4361.6","0.6","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 O6 Se2 -","- C20 H26 O6 Se2 -","- C160 H208 O48 Se16 -","8","1","","Tripathi, Santosh K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","2-Phenoxyethanol derived diselenide and related compounds; synthesis of a seven-membered seleninate ester.","Organic & biomolecular chemistry","2011","9","2","581","587","10.1039/C0OB00038H","","","0.71073","MoKα","","0.1194","0.0622","","","0.1445","0.1582","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151628","10.8591","0.0003","10.0425","0.0003","17.0542","0.0004","90","","100.888","0.003","90","","1826.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Bhurruth-Alcor, Yushma; Røst, Therese; Jorgensen, Michael R.; Kontogiorgis, Christos; Skorve, Jon; Cooper, Robert G.; Sheridan, Joseph M.; Hamilton, William D. O.; Heal, Jonathan R.; Berge, Rolf K.; Miller, Andrew D.","Synthesis of novel PPARα/γ dual agonists as potential drugs for the treatment of the metabolic syndrome and diabetes type II designed using a new de novo design program PROTOBUILD.","Organic & biomolecular chemistry","2011","9","4","1169","1188","10.1039/C0OB00146E","","","0.71073","MoKα","","0.0808","0.0438","","","0.1012","0.1155","","","","","","1.04","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151629","18.0309","0.0004","5.88641","0.00015","19.522","0.0004","90","","98.636","0.002","90","","2048.52","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O2 S -","- C26 H18 N2 O2 S -","- C104 H72 N8 O8 S4 -","4","1","","Bhurruth-Alcor, Yushma; Røst, Therese; Jorgensen, Michael R.; Kontogiorgis, Christos; Skorve, Jon; Cooper, Robert G.; Sheridan, Joseph M.; Hamilton, William D. O.; Heal, Jonathan R.; Berge, Rolf K.; Miller, Andrew D.","Synthesis of novel PPARα/γ dual agonists as potential drugs for the treatment of the metabolic syndrome and diabetes type II designed using a new de novo design program PROTOBUILD.","Organic & biomolecular chemistry","2011","9","4","1169","1188","10.1039/C0OB00146E","","","1.54248","CuKα","","0.0879","0.0404","","","0.0764","0.0869","","","","","","0.867","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151630","8.565","0.004","12.029","0.006","16.76","0.008","90","","91.239","0.01","90","","1726.4","1.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H36 Cl3 N3 Ni O5 -","- C33 H36 Cl3 N3 Ni O5 -","- C66 H72 Cl6 N6 Ni2 O10 -","2","1","","Luo, Xiaoyan; Jin, Zhichao; Li, Pengfei; Gao, Jiabin; Yue, Weimin; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition of α,β-unsaturated aldehydes to Ni(II) complexes of the Schiff base of glycine.","Organic & biomolecular chemistry","2011","9","3","793","801","10.1039/C0OB00221F","","","0.71073","MoKα","","0.1231","0.0793","","","0.2011","0.2399","","","","","","1.016","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151631","7.529","0.002","13.009","0.004","23.237","0.008","90","","90.36","0.006","90","","2275.9","1.2","125","2","125","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 Br2 N2 O3 P -","- C19 H23 Br2 N2 O3 P -","- C76 H92 Br8 N8 O12 P4 -","4","2","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.1626","0.1516","","","0.3528","0.3628","","","","","","1.131","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151632","14.786","0.003","9.781","0.002","16.323","0.004","90","","101.211","0.004","90","","2315.6","0.9","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 I N2 O3 P -","- C25 H26 I N2 O3 P -","- C100 H104 I4 N8 O12 P4 -","4","1","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.0871","0.0396","","","0.0629","0.0722","","","","","","0.914","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151633","9.3517","0.0018","16.96","0.003","11.251","0.002","90","","103.824","0.003","90","","1732.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N2 O2 P -","- C18 H20 Br N2 O2 P -","- C72 H80 Br4 N8 O8 P4 -","4","1","","Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David","Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).","Organic & biomolecular chemistry","2011","9","4","1189","1200","10.1039/C0OB00297F","","","0.71073","MoKα","","0.1268","0.0821","","","0.2086","0.2893","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151634","5.1216","0.0003","10.4652","0.0006","21.3646","0.0014","90","","95.373","0.002","90","","1140.08","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C42 H64 N4 O12 -","2","1","","Bouillère, Francelin; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Access to β,γ-diamino acids. Application to the synthesis of 3-deoxyaminostatine.","Organic & biomolecular chemistry","2011","9","2","394","399","10.1039/C0OB00370K","","x-ray","0.71073","MoKα","","0.1255","0.1177","","","0.316","0.3263","","","","","","1.061","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151635","18.7436","0.0005","18.7436","0.0005","13.3951","0.0004","90","","90","","120","","4075.5","0.2","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C20 H20 Cl2 N2 Pd -","- C20 H20 Cl2 N2 Pd -","- C120 H120 Cl12 N12 Pd6 -","6","1","","Grach, Guillaume; Dinut, Aurelia; Marque, Sylvain; Marrot, Jérôme; Gil, Richard; Prim, Damien","Enantioselective Friedel-Crafts alkylation of indole derivatives catalyzed by new Yb(OTf)3-pyridylalkylamine complexes as chiral Lewis acids.","Organic & biomolecular chemistry","2011","9","2","497","503","10.1039/C0OB00461H","","","0.71073","MoKα","","0.0523","0.0447","","","0.1229","0.1294","","","","","","1.109","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151636","13.912","0.003","5.9518","0.0012","21.173","0.004","90","","90","","90","","1753.2","0.6","100","1","100","1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl N O S -","- C9 H6 Cl N O S -","- C72 H48 Cl8 N8 O8 S8 -","8","1","","Wisastra, Rosalina; Ghizzoni, Massimo; Maarsingh, Harm; Minnaard, Adriaan J.; Haisma, Hidde J.; Dekker, Frank J.","Isothiazolones; thiol-reactive inhibitors of cysteine protease cathepsin B and histone acetyltransferase PCAF.","Organic & biomolecular chemistry","2011","9","6","1817","1822","10.1039/C0OB00464B","","","0.71073","MoKα","","0.0456","0.036","","","0.0875","0.0937","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151637","17.363","0.019","6.389","0.007","7.471","0.008","90","","95.868","0.018","90","","824.4","1.6","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O S -","- C9 H7 N O S -","- C36 H28 N4 O4 S4 -","4","1","","Wisastra, Rosalina; Ghizzoni, Massimo; Maarsingh, Harm; Minnaard, Adriaan J.; Haisma, Hidde J.; Dekker, Frank J.","Isothiazolones; thiol-reactive inhibitors of cysteine protease cathepsin B and histone acetyltransferase PCAF.","Organic & biomolecular chemistry","2011","9","6","1817","1822","10.1039/C0OB00464B","","","0.71073","MoKα","","0.1081","0.0767","","","0.1824","0.2014","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151638","16.771","0.0016","7.1231","0.001","21.515","0.003","90","","90","","90","","2570.2","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 N S2 -","- C15 H11 N S2 -","- C120 H88 N8 S16 -","8","2","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0826","0.0554","","","0.1307","0.148","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151639","18.3919","0.0005","16.7137","0.0005","9.28","0.0003","90","","103.914","0.003","90","","2768.94","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N S2 -","- C16 H13 N S2 -","- C128 H104 N8 S16 -","8","2","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","1.54178","CuKα","","0.0535","0.0389","","","0.1038","0.1103","","","","","","1.044","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151640","18.2767","0.0008","5.6221","0.0002","14.5289","0.0006","90","","90","","90","","1492.89","0.1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 N S2 -","- C17 H15 N S2 -","- C68 H60 N4 S8 -","4","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.0504","0.0356","","","0.0633","0.0655","","","","","","0.914","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151641","8.0959","0.0004","5.7246","0.0003","22.417","0.0009","90","","95.369","0.004","90","","1034.38","0.09","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C44 H46 N6 O10 S2 -","2","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","1.54178","CuKα","","0.0903","0.0578","","","0.1278","0.1445","","","","","","0.978","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151642","10.158","0.0006","5.7057","0.0003","11.3236","0.0007","90","","111.933","0.007","90","","608.8","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl N -","- C4 H8 Cl N -","- C16 H32 Cl4 N4 -","4","1","","Galindo, Miguel A.; Hannant, Jennifer; Harrington, Ross W.; Clegg, William; Horrocks, Benjamin R.; Pike, Andrew R.; Houlton, Andrew","Pyrrolyl-, 2-(2-thienyl)pyrrolyl- and 2,5-bis(2-thienyl)pyrrolyl-nucleosides: synthesis, molecular and electronic structure, and redox behaviour of C5-thymidine derivatives.","Organic & biomolecular chemistry","2011","9","5","1555","1564","10.1039/C0OB00466A","","","0.71073","MoKα","","0.039","0.0285","","","0.0699","0.0723","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151643","10.019","0.002","6.5258","0.0013","22.94","0.005","90","","101.39","0.03","90","","1470.3","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-(2, 3-O-isopropylidene-A-D-ribofuransoyl)amino-5-cyano-6- chloropyrimidine","4-(2, 3-O-isopropylidene-Â-D-ribofuransoyl)amino-5-cyano-6-chloropyrimidine","","- C13 H15 Cl N4 O4 -","- C13 H15 Cl N4 O4 -","- C52 H60 Cl4 N16 O16 -","4","2","","Yang, Hao-Zhe; Pan, Mei-Ying; Jiang, Da-Wei; He, Yang","Synthesis of Janus type nucleoside analogues and their preliminary bioactivity.","Organic & biomolecular chemistry","2011","9","5","1516","1522","10.1039/C0OB00495B","","","0.71073","MoKα","","0.0407","0.0372","","","0.0822","0.0854","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151644","7.4866","0.0002","14.3369","0.0002","17.3851","0.0003","90","","100.017","0.0009","90","","1837.58","0.06","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0482","0.0393","","","0.1022","0.1099","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151645","12.175","0.0002","10.9843","0.0002","14.5988","0.0002","90","","90","","90","","1952.35","0.05","150","2","150","2","","","","","","","synthesized by the authors","6","P c a 21","P 2c -2ac","29","","","","- C18 H18 F3 N O3 S2 -","- C18 H18 F3 N O3 S2 -","- C72 H72 F12 N4 O12 S8 -","4","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0362","0.0333","","","0.0864","0.0893","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151646","23.1671","0.0005","10.5994","0.0002","15.6896","0.0003","90","","92.516","0.0013","90","","3848.98","0.13","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 F3 N O3 S -","- C21 H18 F3 N O3 S -","- C168 H144 F24 N8 O24 S8 -","8","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0512","0.0405","","","0.1031","0.1105","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151647","23.3925","0.0002","6.2169","0.0004","13.0456","0.0008","90","","90","","90","","1897.21","0.17","150","2","150","2","","","","","","","synthesized by the authors","3","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C96 H64 N16 -","8","2","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0893","0.0517","","","0.1121","0.1337","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151648","7.4977","0.0002","10.5242","0.0002","11.7581","0.0003","81.4639","0.0015","79.5813","0.0013","75.5501","0.0015","878.42","0.04","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C17 H13 F3 N2 O3 S -","- C17 H13 F3 N2 O3 S -","- C34 H26 F6 N4 O6 S2 -","2","1","","Čížková, Martina; Kolivoška, Viliam; Císařová, Ivana; Šaman, David; Pospíšil, Lubomír; Teplý, Filip","Nitrogen heteroaromatic cations by [2+2+2] cycloaddition.","Organic & biomolecular chemistry","2011","9","2","450","462","10.1039/C0OB00507J","","","0.71073","MoKα","","0.0449","0.0363","","","0.1032","0.1114","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151649","10.9379","0.0017","12.55","0.002","31.289","0.005","90","","90","","90","","4295.1","1.2","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","DHT-T2","","","- C18 H30 N2 O6 Si -","- C18 H30 N2 O6 Si -","- C144 H240 N16 O48 Si8 -","8","1","","Luo, Qun; Wu, Dayong; Liu, Shixiong; Tang, Daihua; Huang, Yong; Liu, Xinhou; Wang, Fuyi; Wang, Ruiyao; Wu, Gang","The formation of thymidine-based T-tetramers with remarkable structural and metal ion size effects.","Organic & biomolecular chemistry","2011","9","4","1030","1033","10.1039/C0OB00520G","","","0.71073","MoKα","","0.0302","0.027","","","0.0694","0.0705","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151650","11.2213","0.0003","11.0837","0.0002","18.7917","0.0005","90","","100.181","0.001","90","","2300.39","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O3 -","- C28 H26 N4 O3 -","- C112 H104 N16 O12 -","4","1","","Chanda, Kaushik; Maiti, Barnali; Yellol, Gorakh S.; Chien, Ming-Hsien; Kuo, Min-Liang; Sun, Chung-Ming","Polymer supported synthesis of novel benzoxazole linked benzimidazoles under microwave conditions: In vitro evaluation of VEGFR-3 kinase inhibition activity.","Organic & biomolecular chemistry","2011","9","6","1917","1926","10.1039/C0OB00547A","","","0.71073","MoKα","","0.0844","0.0473","","","0.1126","0.13","","","","","","1.032","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151651","6.4285","0.0004","31.4664","0.0018","7.0702","0.0004","90","","106.517","0.002","90","","1371.16","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0489","0.0411","","","0.0989","0.1038","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151652","23.576","0.003","16.388","0.002","24.599","0.003","90","","91.441","0.002","90","","9501","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C104 H86 N4 Nd2 O20 Zn2 -","- C104 H85 N4 Nd2 O20 Zn2 -","- C416 H340 N16 Nd8 O80 Zn8 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0894","0.0578","","","0.1281","0.147","","","","","","0.997","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7151653","13.028","0.003","13.163","0.003","15.397","0.003","75.58","0.03","82.38","0.03","83.32","0.03","2525.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 N2 O11 Tb Zn -","- C53 H45 N2 O11 Tb Zn -","- C106 H90 N4 O22 Tb2 Zn2 -","2","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0586","0.0406","","","0.0955","0.0992","","","","","","0.986","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151654","13.056","0.004","13.146","0.004","15.367","0.005","75.54","0.003","82.406","0.004","83.166","0.004","2521.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 Ho N2 O11 Zn -","- C53 H45 Ho N2 O11 Zn -","- C106 H90 Ho2 N4 O22 Zn2 -","2","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0657","0.0523","","","0.1415","0.1497","","","","","","1.031","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151655","10.719","0.002","21.494","0.004","26.116","0.005","90","","90.83","0.03","90","","6016","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H57 N4 O14 Pr Zn2 -","- C68 H57 N4 O14 Pr Zn2 -","- C272 H228 N16 O56 Pr4 Zn8 -","4","1","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of oxazolidine-2,4-diones via an efficient fixation of CO2 with 3-aryl-2-alkynamides.","Organic & biomolecular chemistry","2011","9","1","105","110","10.1039/C0OB00550A","","","0.71073","MoKα","","0.0973","0.0477","","","0.0916","0.1104","","","","","","0.939","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151656","5.6309","0.001","8.4895","0.0016","14.66","0.003","88.759","0.003","84.82","0.003","73.866","0.003","670.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Br2 N O -","- C14 H15 Br2 N O -","- C28 H30 Br4 N2 O2 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, D. A.","A novel synthesis of (di)-benzazocinones via an endocyclic N-acyliminium ion cyclisation.","Organic & biomolecular chemistry","2011","9","5","1547","1554","10.1039/C0OB00559B","","","0.71073","MoKα","","0.0436","0.0384","","","0.1051","0.1097","","","","","","0.755","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151657","10.9351","0.0014","11.7459","0.0015","24.978","0.003","90","","90","","90","","3208.2","0.7","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","","- C14 H18 F3 N O2 S -","- C14 H18 F3 N O2 S -","- C112 H144 F24 N8 O16 S8 -","8","2","","Mei, Haibo; Xiong, Yiwen; Han, Jianlin; Pan, Yi","A facile process for the asymmetric synthesis of β-trifluoromethylated β-amino ketones via addition of ketone enolates to sulfinylimine.","Organic & biomolecular chemistry","2011","9","5","1402","1406","10.1039/C0OB00586J","","","0.71073","MoKα","","0.0657","0.0348","","","0.0557","0.0592","","","","","","0.98","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151658","10.881","0.007","17.932","0.011","11.015","0.007","90","","104.754","0.01","90","","2078","2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","","Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.","Organic & biomolecular chemistry","2011","9","2","367","369","10.1039/C0OB00593B","","","0.71073","MoKα","","0.1334","0.0912","","","0.2283","0.2556","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151659","11.8387","0.0017","16.585","0.002","19.535","0.003","90","","90","","90","","3835.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Phthalimide","","","- C21 H14 N2 O7 -","- C21 H11 N2 O7 -","- C168 H88 N16 O56 -","8","1","","Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.","Organic & biomolecular chemistry","2011","9","2","367","369","10.1039/C0OB00593B","","","0.71073","MoKα","","0.0707","0.0525","","","0.1466","0.1635","","","","","","1.032","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151660","12.27","0.0003","19.6334","0.0007","20.4221","0.0006","75.23","0.002","72.675","0.002","75.364","0.0014","4457.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H96 N16 O24 -","- C96 H96 N16 O24 -","- C192 H192 N32 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1053","0.0748","","","0.2233","0.2492","","","","","","1.392","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151661","11.8003","0.0004","20.6248","0.0007","21.2868","0.0008","110.363","0.002","97.492","0.002","99.82","0.002","4683.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H102 N16 O25 -","- C99 H102 N16 O25 -","- C198 H204 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1424","0.0829","","","0.2032","0.2343","","","","","","1.37","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151662","11.1398","0.0003","22.0112","0.0006","22.5117","0.0006","113.189","0.002","100.427","0.0016","99.965","0.0011","4804.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C103 H110 N16 O25 -","- C103 H110 N16 O25 -","- C206 H220 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1549","0.0979","","","0.2643","0.3077","","","","","","1.323","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151663","11.8347","0.0003","20.5903","0.0005","22.5132","0.0007","113.258","0.002","95.992","0.002","100.282","0.002","4865.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C103 H110 N16 O25 -","- C103 H110 N16 O25 -","- C206 H220 N32 O50 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1702","0.0946","","","0.2234","0.2682","","","","","","1.217","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151664","11.9965","0.0003","20.2594","0.0005","22.8564","0.0005","114.695","0.001","96.967","0.0009","99.77","0.002","4857.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H104 N16 O24 -","- C100 H104 N16 O24 -","- C200 H208 N32 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.1175","0.0675","","","0.1598","0.1812","","","","","","1.12","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151665","12.0137","0.0003","20.275","0.0004","22.8339","0.0004","115.072","0.001","96.578","0.001","99.681","0.002","4857.3","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H107 N17 O24 -","- C102 H107 N17 O24 -","- C204 H214 N34 O48 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.0951","0.0651","","","0.1754","0.1913","","","","","","1.23","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151666","12.6739","0.0005","20.5874","0.0007","25.8506","0.0009","77.841","0.003","77.976","0.002","74.025","0.002","6257.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H163 N16 O25.5 -","- C132 H160 N16 O25.5 -","- C264 H320 N32 O51 -","2","1","","Helttunen, Kaisa; Nauha, Elisa; Kurronen, Anni; Shahgaldian, Patrick; Nissinen, Maija","Conformational polymorphism and amphiphilic properties of resorcinarene octapodands.","Organic & biomolecular chemistry","2011","9","3","906","914","10.1039/C0OB00602E","","","1.54178","CuKα","","0.2509","0.1458","","","0.3528","0.4282","","","","","","1.283","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151667","7.753","0.005","8.285","0.005","11.93","0.005","84.628","0.005","76.938","0.005","84.323","0.005","740.8","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline","2,5-dichloro-8-formyl-4(4-methoxyphenyl)quinazoline","","- C16 H10 Cl2 N2 O2 -","- C16 H10 Cl2 N2 O2 -","- C32 H20 Cl4 N4 O4 -","2","1","","Crespo, Abel; Coelho, Alberto; Diz, Paula M.; Fernández, Franco; Novoa de Armas, Hector; Sotelo, Eddy","Convergent assembly of structurally diverse quinazolines.","Organic & biomolecular chemistry","2011","9","2","351","357","10.1039/C0OB00608D","","x-ray","0.71069","MoKα","","0.0899","0.0442","","","0.0985","0.107","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151668","12.789","0.003","26.622","0.006","20.717","0.004","90","","127.862","0.01","90","","5569","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 F12 N2 O10 P2 -","- C56 H60 F12 N2 O10 P2 -","- C224 H240 F48 N8 O40 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2569","0.0996","","","0.2747","0.3605","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151669","13.672","0.011","14.541","0.011","16.402","0.012","112.152","0.01","92.063","0.012","104.255","0.012","2897","4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 F12 N2 O10 P2 -","- C56 H68 F12 N2 O10 P2 -","- C112 H136 F24 N4 O20 P4 -","2","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.3528","0.1022","","","0.2318","0.3432","","","","","","0.949","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151670","13.677","0.003","17.347","0.004","34.994","0.007","90","","106.807","0.007","90","","7948","3","298","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 F12 N2 O11 P2 -","- C72 H94 F12 N2 O11 P2 -","- C288 H376 F48 N8 O44 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2465","0.1151","","","0.3135","0.4038","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151671","13.666","0.002","17.343","0.003","34.9","0.005","90","","106.726","0.005","90","","7922","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 F12 N2 O11 P2 -","- C72 H92 F12 N2 O11 P2 -","- C288 H368 F48 N8 O44 P8 -","4","1","","Xu, Zhikai; Jiang, Lasheng; Feng, Yahui; Zhang, Suhui; Liang, Jidong; Pan, Shaowu; Yang, Yu; Yang, Dengke; Cai, Yuepeng","One-pot synthesis of donor-acceptor [2]rotaxanes based on cryptand-paraquat recognition motif.","Organic & biomolecular chemistry","2011","9","4","1237","1243","10.1039/C0OB00629G","","","0.71073","MoKα","","0.2379","0.161","","","0.4757","0.5147","","","","","","1.717","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151672","6.5189","0.0001","10.7194","0.0002","11.0482","0.0002","65.732","0.001","77.573","0.001","80.693","0.001","684.99","0.02","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br2 N O5 -","- C11 H11 Br2 N O5 -","- C22 H22 Br4 N2 O10 -","2","1","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.059","0.0379","","","0.0876","0.0972","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151673","10.9772","0.0001","25.2605","0.0003","10.1567","0.0002","90","","104.6","0.03","90","","2725.4","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br2 N O5 -","- C11 H11 Br2 N O5 -","- C88 H88 Br16 N8 O40 -","8","2","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.0937","0.0471","","","0.0928","0.1063","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151674","8.971","0.0002","10.6189","0.0002","22.6185","0.0006","90","","90","","90","","2154.69","0.08","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H6 Br2 O4 -","- C10 H6 Br2 O4 -","- C80 H48 Br16 O32 -","8","2","","Shearman, James W.; Myers, Rebecca M.; Brenton, James D.; Ley, Steven V.","Total syntheses of subereamollines A and B.","Organic & biomolecular chemistry","2011","9","1","62","65","10.1039/C0OB00636J","","","0.71073","MoKα","","0.0587","0.0462","","","0.1169","0.1354","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151675","20.618","0.003","4.6216","0.0006","16.874","0.002","90","","117.449","0.002","90","","1426.9","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 N2 O5 -","- C13 H20 N2 O5 -","- C52 H80 N8 O20 -","4","0.5","","Zhang, Yagang; Song, Di; Brown, Julius C.; Shimizu, Ken D.","Suppression of background sites in molecularly imprinted polymers via urea-urea monomer aggregation.","Organic & biomolecular chemistry","2011","9","1","120","126","10.1039/C0OB00637H","","","0.71073","MoKα","","0.0517","0.0362","","","0.0888","0.0948","","","","","","0.951","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151676","8.779","0.0002","15.427","0.0004","12.67","0.0004","90","","94.858","0.002","90","","1709.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F3 N O3 -","- C20 H14 F3 N O3 -","- C80 H56 F12 N4 O12 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0925","0.0589","","","0.1862","0.2306","","","","","","0.863","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151677","7.811","0.0002","8.3322","0.0002","12.4088","0.0004","70.775","0.001","89.288","0.001","78.72","0.001","746.65","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C30 H30 Br2 N4 O6 -","2","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.062","0.0491","","","0.1081","0.1159","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151678","9.8444","0.0004","10.7537","0.0004","17.1394","0.0008","90","","100.088","0.002","90","","1786.39","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.156","0.0611","","","0.1618","0.244","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151679","11.2975","0.0002","15.8036","0.0003","20.145","0.0006","90","","90","","90","","3596.71","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0913","0.0543","","","0.1566","0.1938","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151680","7.8329","0.0003","16.6085","0.0006","13.2043","0.0005","90","","101.014","0.002","90","","1686.14","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C76 H64 Cl4 N4 O16 -","4","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0586","0.0411","","","0.119","0.1432","","","","","","1.164","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151681","9.851","0.002","11.303","0.002","15.868","0.003","82.36","0.03","76.88","0.03","64.54","0.03","1552.4","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 N O7 -","- C38 H36 N O7 -","- C76 H72 N2 O14 -","2","1","","Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min","New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.","Organic & biomolecular chemistry","2011","9","5","1572","1577","10.1039/C0OB00660B","","","0.71073","MoKα","","0.0883","0.0775","","","0.1767","0.1831","","","","","","1.211","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151682","12.624","0.003","10.895","0.002","21.852","0.004","90","","104.9","0.03","90","","2904.4","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 O13 -","- C31 H34 O13 -","- C124 H136 O52 -","4","1","","Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min","New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.","Organic & biomolecular chemistry","2011","9","5","1572","1577","10.1039/C0OB00660B","","","0.71073","MoKα","","0.1659","0.0649","","","0.0734","0.0871","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151683","9.7745","0.0006","9.7915","0.0004","20.5118","0.0009","90","","90","","90","","1963.12","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C80 H68 N12 O32 -","4","1","","Sen, Subhabrata; Potti, Venkata R.; Surakanti, Ramu; Murthy, Y. L. N.; Pallepogu, Raghavaiah","Enantioselective synthesis of spirooxoindoles via chiral auxiliary (bicyclic lactam) controlled SNAr reactions.","Organic & biomolecular chemistry","2011","9","2","358","360","10.1039/C0OB00661K","","","0.71073","MoKα","","0.0805","0.0406","","","0.0662","0.0733","","","","","","0.833","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151684","7.471","0.0001","8.305","0.0001","21.194","0.0004","90","","90","","90","","1315.02","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0725","0.0426","","","0.0893","0.1022","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151685","8.618","0.0004","9.912","0.0004","10.226","0.0005","114.347","0.002","108.553","0.002","100.738","0.002","701.65","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C32 H22 Br2 N4 O6 -","2","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0421","0.0303","","","0.0642","0.068","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151686","13.988","0.0002","10.997","0.0002","16.197","0.0002","90","","95.645","0.001","90","","2479.44","0.07","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C32 H24 N2 O4 -","- C32 H23 N2 O4 -","- C128 H92 N8 O16 -","4","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0836","0.0649","","","0.1729","0.186","","","","","","1.098","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151687","8.2259","0.0012","12.3386","0.0017","9.1136","0.0013","90","","97.552","0.002","90","","917","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H16 Br N O5 -","- C20 H16 Br N O5 -","- C40 H32 Br2 N2 O10 -","2","1","","Jin, Zhichao; Yu, Feng; Wang, Xiao; Huang, Huicai; Luo, Xiaoyan; Liang, Xinmiao; Ye, Jinxing","A one-pot asymmetric organocatalytic tandem reaction for the synthesis of oxazine derivatives.","Organic & biomolecular chemistry","2011","9","6","1809","1816","10.1039/C0OB00669F","","","0.71073","MoKα","","0.0661","0.0468","","","0.1032","0.1086","","","","","","0.896","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151688","9.6263","0.0013","14.1765","0.0014","16.473","0.002","90","","90","","90","","2248","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 F3 N2 O2 S -","- C24 H25 F3 N2 O2 S -","- C96 H100 F12 N8 O8 S4 -","4","1","","Grellepois, Fabienne; Nonnenmacher, Jean; Lachaud, Fabien; Portella, Charles","Enantiomerically pure 2-aryl(alkyl)-2-trifluoromethylaziridines: synthesis and ring opening with selected O- and N-nucleophiles.","Organic & biomolecular chemistry","2011","9","4","1160","1168","10.1039/C0OB00690D","","x-ray","0.71073","MoKα","","0.0566","0.042","","","0.0978","0.1031","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151689","9.7065","0.0007","9.7065","0.0007","45.227","0.005","90","","90","","90","","4261.1","0.6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C21 H20 F5 N O2 S -","- C21 H20 F5 N O2 S -","- C168 H160 F40 N8 O16 S8 -","8","1","","Li, Peng; Liu, Li-Juan; Liu, Jin-Tao","Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction.","Organic & biomolecular chemistry","2011","9","1","74","77","10.1039/C0OB00699H","","","0.71073","MoKα","","0.1385","0.04","","","0.058","0.0781","","","","","","0.874","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151690","12.1841","0.0015","5.7816","0.0007","24.406","0.003","90","","99.492","0.002","90","","1695.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl F7 N O2 S -","- C14 H11 Cl F7 N O2 S -","- C56 H44 Cl4 F28 N4 O8 S4 -","4","1","","Li, Peng; Liu, Li-Juan; Liu, Jin-Tao","Per(poly)fluoroalkanesulfinamides assisted diastereoselective three-component inverse-electron-demand aza Diels-Alder reaction.","Organic & biomolecular chemistry","2011","9","1","74","77","10.1039/C0OB00699H","","","0.71073","MoKα","","0.0885","0.0732","","","0.2257","0.2394","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151691","10.7328","0.001","12.0282","0.001","19.7768","0.0018","90","","90","","90","","2553.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O9 -","- C25 H33 N O9 -","- C100 H132 N4 O36 -","4","1","","Kurhade, Suresh E.; Mengawade, Tanaji; Bhuniya, Debnath; Palle, Venkata P.; Reddy, D. Srinivasa","Synthesis of novel sugar-lactam conjugates using the Aubé reaction.","Organic & biomolecular chemistry","2011","9","3","744","747","10.1039/C0OB00719F","","","0.71073","MoKα","","0.1458","0.0571","","","0.0866","0.1055","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151692","6.771","0.0003","26.804","0.0015","7.448","0.0003","90","","89.867","0.003","90","","1351.73","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","2","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.1178","0.0964","","","0.2224","0.235","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151693","13.483","0.0005","7.543","0.0003","14.765","0.0005","90","","114.997","0.002","90","","1360.98","0.09","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","","Jeffs, Laura; Arquier, Damien; Kariuki, Benson; Bethell, Donald; Page, Philip C Bulman; Hutchings, Graham J.","On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines.","Organic & biomolecular chemistry","2011","9","4","1079","1084","10.1039/C0OB00724B","","","0.71073","MoKα","","0.065","0.045","","","0.0997","0.109","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151694","10.158","0.003","14.069","0.004","17.637","0.004","90","","99.962","0.011","90","","2482.6","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N3 O7 -","- C21 H31 N3 O7 -","- C84 H124 N12 O28 -","4","1","","Desmarchelier, Alaric; Marrot, Jérôme; Moreau, Xavier; Greck, Christine","Asymmetric organocatalytic Michael-α-amination sequence for the construction of a quaternary stereocenter.","Organic & biomolecular chemistry","2011","9","4","994","997","10.1039/C0OB00751J","","","0.71073","MoKα","","0.0861","0.0659","","","0.1933","0.2158","","","","","","1.216","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151695","23.0916","0.0013","7.3204","0.0004","38.0041","0.0018","90","","97.32","0.003","90","","6371.8","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C320 H256 N32 O16 -","16","2","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.0688","0.0454","","","0.1279","0.1535","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151696","14.2593","0.0003","12.1166","0.0003","19.4748","0.0005","90","","101.738","0.001","90","","3294.38","0.14","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C38 H42 Cu2 N4 -","- C38 H38 Cu2 N4 -","- C152 H152 Cu8 N16 -","4","1","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.058","0.0432","","","0.1097","0.1192","","","","","","1.037","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151697","9.3101","0.0002","9.2508","0.0003","11.242","0.0004","69.333","0.001","84.453","0.001","76.764","0.001","881.72","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Cl Cu N2 O -","- C17 H19 Cl Cu N2 O -","- C34 H38 Cl2 Cu2 N4 O2 -","2","1","","Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung","A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines.","Organic & biomolecular chemistry","2011","9","3","670","672","10.1039/C0OB00756K","","","0.71073","MoKα","","0.0866","0.0799","","","0.1958","0.2017","","","","","","1.038","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151698","6.0102","0.0006","10.0194","0.0009","15.9053","0.0015","81.28","0.002","83.245","0.002","75.899","0.002","914.94","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Sada, Mutsumi; Nomura, Kenichi; Matsubara, Seijiro","A tandem reaction of organozinc reagent prepared from palladium-catalyzed umpolung method: diastereoselective formation of cyclohexene derivatives bearing three adjacent stereocenters.","Organic & biomolecular chemistry","2011","9","5","1389","1393","10.1039/C0OB00806K","","","0.71073","MoKα","","0.0625","0.0541","","","0.1829","0.199","","","","","","0.823","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151699","8.894","0.0003","8.467","0.0003","15.2509","0.0006","90","","90","","90","","1148.48","0.07","260","2","260","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Smith, Catherine J.; Smith, Christopher D.; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent.","Organic & biomolecular chemistry","2011","9","6","1927","1937","10.1039/C0OB00813C","","","0.71073","MoKα","","0.0399","0.0338","","","0.0851","0.0907","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151700","7.4355","0.0001","8.5948","0.0002","13.7214","0.0003","88.715","0.001","89.784","0.001","68.818","0.001","817.43","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H3 Br N4 -","- C7 H3 Br N4 -","- C28 H12 Br4 N16 -","4","2","","Smith, Catherine J.; Smith, Christopher D.; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent.","Organic & biomolecular chemistry","2011","9","6","1927","1937","10.1039/C0OB00813C","","","0.71073","MoKα","","0.0541","0.0402","","","0.1012","0.1102","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151701","27.8326","0.0007","6.2301","0.0002","11.8916","0.0003","90","","94.99","0.03","90","","2054.19","0.14","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0593","0.0465","","","0.1161","0.1257","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151702","10.1129","0.0002","14.736","0.0005","7.3628","0.0002","90","","118.152","0.003","90","","967.43","0.05","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.036","0.0308","","","0.0702","0.0727","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151703","33.4277","0.0008","6.1102","0.0002","12.4082","0.0003","90","","106.375","0.002","90","","2431.57","0.12","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N5 -","- C12 H13 N5 -","- C96 H104 N40 -","8","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0681","0.047","","","0.1327","0.1412","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151704","7.2576","0.0002","8.4262","0.0002","8.8405","0.0002","97.305","0.001","110.101","0.001","90.585","0.001","502.74","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 Br N6 -","- C10 H5 Br N6 -","- C20 H10 Br2 N12 -","2","1","","Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.","A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.","Organic & biomolecular chemistry","2011","9","6","1938","1947","10.1039/C0OB00815J","","","0.71073","MoKα","","0.0401","0.032","","","0.0772","0.0811","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151705","6.9783","0.0003","11.2514","0.0005","14.4801","0.0007","90","","91.389","0.002","90","","1136.58","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O6 Se2 -","- C18 H28 N2 O6 Se2 -","- C36 H56 N4 O12 Se4 -","2","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.0587","0.038","","","0.0708","0.0775","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151706","5.3658","0.0011","10.1748","0.0018","10.905","0.002","82.918","0.011","88.385","0.011","78.119","0.012","578.17","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","- C21 H36 Br N2 O3 -","1","1","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.1794","0.095","","","0.2661","0.3022","","","","","","0.921","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151707","5.7334","0.0009","7.899","0.0012","47.642","0.007","90","","90","","90","","2157.6","0.6","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C10 H12 O3 Se -","- C10 H12 O3 Se -","- C80 H96 O24 Se8 -","8","2","","Bhuyan, Bhaskar J.; Mugesh, Govindasamy","Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.","Organic & biomolecular chemistry","2011","9","5","1356","1365","10.1039/C0OB00823K","","","0.71073","MoKα","","0.0789","0.0529","","","0.0921","0.0993","","","","","","1.149","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151708","5.654","0.0009","7.4586","0.0012","13.1","0.002","90","","99.649","0.003","90","","544.62","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0439","0.0369","","","0.0849","0.0881","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151709","6.8992","0.0008","6.9979","0.0008","24.978","0.003","90","","90","","90","","1205.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0304","0.025","","","0.0492","0.05","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151710","5.331","0.002","7.848","0.003","14.735","0.006","90","","95.877","0.006","90","","613.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0327","0.032","","","0.0854","0.0879","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151711","9.7651","0.0006","11.2401","0.0008","11.3429","0.0009","76.03","0.001","81.135","0.001","73.662","0.001","1154.42","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cl N3 O2 -","- C27 H26 Cl N3 O2 -","- C54 H52 Cl2 N6 O4 -","2","1","","He, Ping; Nie, Yi-Bo; Wu, Jing; Ding, Ming-Wu","Unexpected synthesis of indolo[1,2-c]quinazolines by a sequential Ugi 4CC-Staudinger-aza-Wittig-nucleophilic addition reaction.","Organic & biomolecular chemistry","2011","9","5","1429","1436","10.1039/C0OB00855A","","","0.71073","MoKα","","0.0533","0.046","","","0.1267","0.1319","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151712","9.4053","0.0003","9.7021","0.0004","21.9587","0.001","90","","92.978","0.002","90","","2001.05","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Cheetham, Caroline A.; Massey, Richard S.; Pira, Silvain L.; Pritchard, Robin G.; Wallace, Timothy W.","Atroposelective formation of dibenz[c,e]azepines via intramolecular direct arylation with centre-axis chirality transfer.","Organic & biomolecular chemistry","2011","9","6","1831","1838","10.1039/C0OB00889C","","x-ray","0.71073","MoKα","","0.1888","0.0861","","","0.166","0.2154","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151713","13.333","0.002","10.094","0.002","11.308","0.004","90","","109.94","0.02","90","","1430.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.7107","MoKα","","0.0692","0.0468","","","0.1245","0.1347","","","","","","1.214","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151714","6.6455","0.0007","12.928","0.0013","12.943","0.0013","101.997","0.002","90.461","0.002","94.532","0.002","1083.94","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 N7 -","- C24 H22 N7 -","- C48 H44 N14 -","2","1","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.0669","0.0501","","","0.1227","0.1327","","","","","","1.03","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151715","34.582","0.002","10.1577","0.0006","8.339","0.0005","90","","92.891","0.001","90","","2925.5","0.3","295","2","295","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H32 N4 -","- C20 H32 N4 -","- C120 H192 N24 -","6","3","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.1034","0.0464","","","0.087","0.1043","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151716","10.247","0.004","11.52","0.004","34.634","0.013","90","","102.208","0.007","90","","3996","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N5 -","- C24 H22 N5 -","- C192 H176 N40 -","8","2","","Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.","Organic & biomolecular chemistry","2011","9","6","1887","1900","10.1039/C0OB00899K","","","0.71073","MoKα","","0.1712","0.0859","","","0.1414","0.1612","","","","","","1.038","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151717","12.173","0.002","14.445","0.002","8.223","0.002","90","","103.46","0.02","90","","1406.2","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 I O3 -","- C17 H9 I O3 -","- C68 H36 I4 O12 -","4","1","","Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno","Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.","Organic & biomolecular chemistry","2011","9","5","1474","1478","10.1039/C0OB00935K","","","0.7107","MoKα","","0.1292","0.0934","","0.3093","0.2532","0.3093","","","","","","0.9991","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151718","18.6185","0.0003","14.0017","0.0003","14.1965","0.0003","90","","107.82","0.002","90","","3523.34","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 I2 O3 -","- C18 H12 I2 O3 -","- C144 H96 I16 O24 -","8","2","","Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno","Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.","Organic & biomolecular chemistry","2011","9","5","1474","1478","10.1039/C0OB00935K","","","0.7107","MoKα","","0.0487","0.0343","","0.0755","0.0674","0.0755","","","","","","1.0021","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151719","10.27","0.003","11.202","0.003","18.897","0.006","90","","90","","90","","2174","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Liu, Tang-Lin; Xue, Zhi-Yong; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar cycloaddition of N-unprotected 2-oxoindolin-3-ylidene derivatives and azomethine ylides for the construction of spirooxindole-pyrrolidines.","Organic & biomolecular chemistry","2011","9","6","1980","1986","10.1039/C0OB00943A","","","0.71073","MoKα","","0.036","0.0309","","","0.0785","0.0822","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151720","16.012","0.01","11.932","0.007","19.682","0.012","90","","104.571","0.008","90","","3639","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 F10 N5 O -","- C16 H9 F10 N5 O -","- C128 H72 F80 N40 O8 -","8","2","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.0815","0.0499","","","0.1123","0.1277","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151721","14.5032","0.001","9.6882","0.0007","44.522","0.003","90","","90","","90","","6255.8","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O4 -","- C37 H31 N5 O4 -","- C296 H248 N40 O32 -","8","1","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.1005","0.0879","","","0.2308","0.2407","","","","","","1.161","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151722","6.8654","0.0013","34.567","0.006","7.138","0.0014","90","","98.565","0.004","90","","1675.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H22 F10 N5 O6 -","- C36 H22 F10 N5 O6 -","- C72 H44 F20 N10 O12 -","2","0.5","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.04","0.0334","","","0.0842","0.0889","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151723","4.7615","0.0005","11.9406","0.0012","21.373","0.002","90","","93.296","0.002","90","","1213.2","0.2","100","","100","","","","","","","","diethylether,pentane","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin","Lewis acid-catalysed one pot synthesis of substituted xanthenes.","Organic & biomolecular chemistry","2011","9","6","1744","1748","10.1039/C0OB00954G","","","0.71073","Mo-Kα","","0.0566","0.0448","","","0.1263","0.1358","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151724","7.3745","0.0019","8.763","0.003","10.395","0.002","99.79","0.02","110.27","0.02","98.47","0.03","605.3","0.3","100","","100","","","","","","","","Et2O, pentane","3","P -1","-P 1","2","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin","Lewis acid-catalysed one pot synthesis of substituted xanthenes.","Organic & biomolecular chemistry","2011","9","6","1744","1748","10.1039/C0OB00954G","","","0.71073","MoKα","","0.0618","0.0456","","","0.122","0.1339","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151725","8.3831","0.001","11.7677","0.0015","15.012","0.0019","90","","90","","90","","1480.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Si -","- C20 H16 Si -","- C80 H64 Si4 -","4","1","","Tanikawa, Tomoharu; Saito, Masaichi; Guo, Jing Dong; Nagase, Shigeru","Synthesis, structures and optical properties of trisilasumanene and its related compounds.","Organic & biomolecular chemistry","2011","9","6","1731","1735","10.1039/C0OB00987C","","","0.71073","MoKα","","0.0406","0.0381","","","0.0978","0.1005","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151726","6.0046","0.0014","6.104","0.0014","12.099","0.003","90","","103.144","0.004","90","","431.84","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.036","0.0319","","","0.0832","0.0855","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151727","9.5861","0.001","14.757","0.0015","19.402","0.002","90","","90","","90","","2744.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br2 N2 O4 -","- C30 H30 Br2 N2 O4 -","- C120 H120 Br8 N8 O16 -","4","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.1119","0.0652","","","0.1519","0.1826","","","","","","1.142","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151728","9.772","0.002","17.25","0.004","11.937","0.002","90","","97.6","0.03","90","","1994.5","0.7","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 Cl N O11 -","- C37 H52 Cl N O11 -","- C74 H104 Cl2 N2 O22 -","2","1","","Yu, Jipan; Miao, Zhiwei; Chen, Ruyu","Highly efficient asymmetric vinylogous Mannich reaction induced by O-pivaloylated d-galactosylamine as the chiral auxiliary.","Organic & biomolecular chemistry","2011","9","6","1756","1762","10.1039/C0OB01048K","","","0.71073","MoKα","","0.0655","0.0534","","","0.1276","0.1373","","","","","","1.017","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151729","7.5239","0.0004","13.8384","0.0008","22.5279","0.0014","90","","90","","90","","2345.6","0.2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","0.5","","Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash","Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction","Organic & Biomolecular Chemistry","2011","9","12","4507","","10.1039/c0ob00575d","","","0.71073","MoKα","","0.1515","0.049","","","0.1062","0.1486","","","","","","0.91","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151730","8.0678","0.0001","16.6957","0.0002","9.6537","0.0001","90","","99.437","0.001","90","","1282.73","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1,2-syn-2,3-anti-iodoalcohol","(1S,2S,3S)-1-(2',2',2'-trichloromethylcarbonylamino)-2-hydroxy-3-iodocyclohexane","","- C8 H11 Cl3 I N O2 -","- C8 H11 Cl3 I N O2 -","- C32 H44 Cl12 I4 N4 O8 -","4","2","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.0449","0.0313","","","","0.0585","","","","","","0.977","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151731","39.705","0.002","5.8312","0.0003","20.2162","0.0014","90","","91.296","0.002","90","","4679.4","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ?","","- C8 H12 Cl3 N O4 -","- C8 H12 Cl3 N O4 -","- C128 H192 Cl48 N16 O64 -","16","4","","Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew","Stereoselective synthesis of polyhydroxylated aminocyclohexanes.","Organic & biomolecular chemistry","2011","9","8","2801","2808","10.1039/c0ob00619j","","","0.71073","MoKα","","0.1714","0.0752","","","","0.1434","","","","","","1.059","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151732","9.4283","0.0016","10.252","0.002","14.872","0.004","77.695","0.017","79.25","0.017","71.711","0.014","1322.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Compound-24A","","","- C34 H30 N2 O -","- C34 H30 N2 O -","- C68 H60 N4 O2 -","2","1","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.0826","0.0517","","","0.1156","0.1313","","","","","","1.01","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151733","10.5806","0.0005","10.1271","0.0005","40.3707","0.0018","90","","90","","90","","4325.8","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound-66","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C192 H208 N32 O24 S8 -","8","2","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.05","0.0425","","","0.0916","0.095","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151734","16.9209","0.0013","10.9678","0.0009","19.3539","0.0015","90","","114.309","0.001","90","","3273.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound-72","","","- C30 H35 Cl2 N7 O5 S2 -","- C30 H35 Cl2 N7 O5 S2 -","- C120 H140 Cl8 N28 O20 S8 -","4","1","","He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.","Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.","Organic & biomolecular chemistry","2011","9","8","2685","2701","10.1039/c0ob00657b","","","0.71073","MoKα","","0.056","0.0445","","","0.1164","0.1247","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151735","8.3372","0.0004","10.931","0.0007","9.7141","0.0003","90","","94.165","0.003","90","","882.95","0.08","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.0537","0.0429","","0.1012","0.0959","0.1012","","","1.098","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151736","6.8264","0.0003","8.0831","0.0003","12.8838","0.0011","91.219","0.004","96.917","0.006","94.85","0.004","702.85","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.1218","0.1001","","0.3089","0.2932","0.3089","","","1.076","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151737","8.1223","0.0003","7.04","0.0005","13.0388","0.0003","90","","107.502","0.004","90","","711.06","0.06","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.0397","0.0341","","0.0797","0.077","0.0797","","","1.083","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151738","6.6845","0.0009","7.9964","0.001","26.937","0.003","90","","94.935","0.008","90","","1434.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","","Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne","Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.","Organic & biomolecular chemistry","2011","9","7","2286","2293","10.1039/c0ob00735h","","","0.71073","MoKα","","0.135","0.0793","","0.1847","0.1549","0.1847","","","1.185","","","1.185","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151739","8.558","0.0012","15.813","0.002","16.673","0.002","90","","98.473","0.005","90","","2231.7","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C96 H92 Br4 N8 O24 -","4","1","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.043","0.0317","","","0.0676","0.0707","","","","","","0.978","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151740","29.508","0.001","29.508","0.001","12.139","0.001","90","","90","","90","","10569.7","1","293","2","293","2","","","","","","","","5","P -4","P -4","81","","?(5S,6R)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C384 H368 Br16 N32 O96 -","16","4","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.0735","0.0446","","","0.0964","0.1038","","","","","","0.971","","","","has coordinates,has disorder","301861","2025-08-22","11:11:50",""
"7151741","7.9953","0.0017","12.083","0.003","13.275","0.003","65.855","0.003","88.718","0.004","84.251","0.004","1164.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo(d)furo(3,2-b)azepine-2,3-dicarboxylate","5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5- (2-pyridyl)-5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C48 H46 Br2 N4 O12 -","2","1","","Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying","The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.","Organic & biomolecular chemistry","2011","9","7","2166","2174","10.1039/c0ob00746c","","","0.71073","MoKα","","0.0504","0.0352","","","0.0788","0.085","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151742","5.4822","0.0004","8.8469","0.0006","24.9538","0.0017","90","","90","","90","","1210.27","0.15","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Nesbitt, Caroline L.; McErlean, Christopher S. P.","Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran.","Organic & biomolecular chemistry","2011","9","7","2198","2208","10.1039/c0ob00754d","","","0.71073","MoKα","","0.0334","0.0321","","","0.0895","0.0908","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:50",""
"7151743","5.4962","0.001","14.702","0.003","14.657","0.003","90","","100.037","0.003","90","","1166.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 Br N O4 -","- C27 H22 Br N O4 -","- C54 H44 Br2 N2 O8 -","2","1","","Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Catalytic asymmetric Michael addition with curcumin derivative.","Organic & biomolecular chemistry","2011","9","7","2505","2511","10.1039/c0ob00757a","","","0.71073","MoKα","","0.0803","0.059","","","0.1375","0.1467","","","","","","0.938","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151744","7.0225","0.0008","7.3868","0.0008","13.8536","0.0015","90","","100.912","0.002","90","","705.65","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cl O2 S -","- C4 H9 Cl O2 S -","- C16 H36 Cl4 O8 S4 -","4","1","","Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J","Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).","Organic & biomolecular chemistry","2011","9","8","2751","2759","10.1039/c0ob00770f","","","0.71073","MoKα","","0.0288","0.0269","","","0.0753","0.0768","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151745","7.3627","0.0009","9.589","0.0009","11.7822","0.0019","69.895","0.012","73.702","0.012","79.988","0.009","746.99","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N3 O9 S -","- C11 H13 N3 O9 S -","- C22 H26 N6 O18 S2 -","2","1","","Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J","Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).","Organic & biomolecular chemistry","2011","9","8","2751","2759","10.1039/c0ob00770f","","","1.54184","CuKα","","0.1143","0.0543","","","0.1045","0.12","","","","","","0.777","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151746","16.927","0.003","12.667","0.003","18.063","0.004","90","","90","","90","","3873","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H17 N2 O3 -","- C24 H17 N2 O3 -","- C192 H136 N16 O24 -","8","2","","Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi","Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.","Organic & biomolecular chemistry","2011","9","8","2702","2714","10.1039/c0ob00783h","","","0.71073","MoKα","","0.1151","0.057","","","0.1081","0.1233","","","","","","0.977","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151747","12.294","0.004","4.9467","0.0014","20.381","0.006","90","","101.322","0.004","90","","1215.3","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi","Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.","Organic & biomolecular chemistry","2011","9","8","2702","2714","10.1039/c0ob00783h","","","0.71073","MoKα","","0.0715","0.0453","","","0.0937","0.1044","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151748","13.0912","0.0007","13.0912","0.0007","23.1759","0.0012","90","","90","","90","","3971.9","0.4","150","2","150","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C176 H80 F64 N16 O16 -","16","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0336","0.0305","","","0.0824","0.0849","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151749","7.0016","0.0012","10.9436","0.0019","17.466","0.003","92.675","0.003","99.643","0.003","90.003","0.003","1317.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H16 Br3 F2 N S3 -","- C26.5 H16 Br3 F2 N S3 -","- C53 H32 Br6 F4 N2 S6 -","2","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0837","0.0547","","","0.1496","0.1632","","","","","","1.038","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151750","7.223","0.0008","7.9584","0.0009","9.1866","0.001","100.979","0.002","97.143","0.002","113.863","0.002","462.01","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H4 F3 N S -","- C11 H4 F3 N S -","- C22 H8 F6 N2 S2 -","2","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0401","0.0343","","","0.0848","0.0881","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151751","6.198","0.002","6.525","0.002","15.416","0.005","90","","97.211","0.004","90","","618.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F2 O2 -","- C18 H8 F2 O2 -","- C36 H16 F4 O4 -","2","0.5","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.6942","synchrotron","","0.1365","0.0949","","","0.248","0.2902","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151752","9.8845","0.0005","15.668","0.0008","10.3729","0.0005","90","","92.2845","0.0008","90","","1605.18","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br F3 S2 -","- C18 H8 Br F3 S2 -","- C72 H32 Br4 F12 S8 -","4","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.054","0.0378","","","0.0899","0.0976","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151753","15.1514","0.0009","12.9717","0.0008","8.1916","0.0005","90","","103.522","0.0009","90","","1565.34","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br F3 S2 -","- C18 H8 Br F3 S2 -","- C72 H32 Br4 F12 S8 -","4","1","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0522","0.0355","","","0.0922","0.1012","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151754","7.823","0.002","3.911","0.0012","21.623","0.007","90","","92.499","0.004","90","","660.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F2 S2 -","- C18 H8 F2 S2 -","- C36 H16 F4 S4 -","2","0.5","","Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.","Organic & biomolecular chemistry","2011","9","7","2294","2305","10.1039/c0ob00790k","","","0.71073","MoKα","","0.0761","0.0559","","","0.1285","0.1366","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151755","5.6949","0.0016","9.6545","0.0013","13.611","0.002","73.2","0.03","83.98","0.04","80.88","0.04","706","0.3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O4 S -","- C14 H18 N2 O4 S -","- C28 H36 N4 O8 S2 -","2","1","","Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.","Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.","Organic & biomolecular chemistry","2011","9","7","2452","2472","10.1039/c0ob00805b","","","0.71075","MoKα","","0.0786","0.0683","","","0.175","0.1817","","","","","","1.132","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151756","5.3188","0.0018","12.594","0.004","29.209","0.01","90","","90","","90","","1956.6","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.","Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.","Organic & biomolecular chemistry","2011","9","7","2452","2472","10.1039/c0ob00805b","","","0.71073","MoKα","","0.1722","0.0701","","","0.1259","0.1613","","","","","","0.992","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151757","8.37","0.003","11","0.004","12.192","0.003","90","","90","","90","","1122.5","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H14 N2 O2 Se -","- C9 H14 N2 O2 Se -","- C36 H56 N8 O8 Se4 -","4","1","","Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.","Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.","Organic & biomolecular chemistry","2011","9","8","2992","2998","10.1039/c0ob00807a","","","0.71069","MoKα","","0.1054","0.04","","","0.0965","0.1178","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151758","13.2","0.005","11.169","0.005","7.993","0.004","90","","92.12","0.04","90","","1177.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O2 Se -","- C10 H16 N2 O2 Se -","- C40 H64 N8 O8 Se4 -","4","1","","Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.","Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.","Organic & biomolecular chemistry","2011","9","8","2992","2998","10.1039/c0ob00807a","","","0.71073","MoKα","","0.1006","0.0372","","","0.0775","0.0977","","","","","","1","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151759","5.6366","0.0002","12.6433","0.0007","16.9777","0.0007","90","","90","","90","","1209.92","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Madhavachary, R.","A general approach to high-yielding asymmetric synthesis of chiral 3-alkyl-4-nitromethylchromans via cascade Barbas-Michael and acetalization reactions.","Organic & biomolecular chemistry","2011","9","8","2715","2721","10.1039/c0ob00861c","","","1.54184","CuKα","","0.094","0.092","","","0.2279","0.2354","","","","","","1.118","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151760","8.8274","0.0005","13.2339","0.0006","12.3855","0.0007","90","","103.267","0.006","90","","1408.27","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Blangetti, Marco; Deagostino, Annamaria; Gervasio, Giuliana; Marabello, Domenica; Prandi, Cristina; Venturello, Paolo","Superbase promoted synthesis of dienamides as useful intermediates for the synthesis of α-ketoamides, γ-lactams and cyclic imino ethers.","Organic & biomolecular chemistry","2011","9","7","2535","2538","10.1039/c0ob00867b","","","0.7107","MoKα","","0.105","0.0634","","","0.1687","0.1837","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151761","14.0009","0.0006","8.4953","0.0003","26.87","0.0012","90","","97.115","0.004","90","","3171.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","2","","Blangetti, Marco; Deagostino, Annamaria; Gervasio, Giuliana; Marabello, Domenica; Prandi, Cristina; Venturello, Paolo","Superbase promoted synthesis of dienamides as useful intermediates for the synthesis of α-ketoamides, γ-lactams and cyclic imino ethers.","Organic & biomolecular chemistry","2011","9","7","2535","2538","10.1039/c0ob00867b","","","0.7107","MoKα","","0.2104","0.0427","","","0.0773","0.0848","","","","","","0.949","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151762","14.5941","0.0004","9.4049","0.0002","13.8121","0.0003","90","","91.949","0.002","90","","1894.7","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","0.71073","MoKα","","0.0976","0.0448","","","0.102","0.1191","","","","","","0.936","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151763","7.2818","0.0001","33.8728","0.0003","8.3252","0.0001","90","","104.148","0.001","90","","1991.17","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C84 H116 N4 O24 -","4","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","1.54184","CuKα","","0.0458","0.0424","","","0.1224","0.1248","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151764","10.695","0.001","10.695","0.001","25.134","0.004","90","","90","","120","","2489.7","0.5","298","2","298","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C114 H138 N6 O24 -","6","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","0.71073","MoKα","","0.1136","0.0446","","","0.0727","0.0846","","","","","","0.959","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151765","6.0988","0.0002","11.8551","0.0004","16.3205","0.0005","102.804","0.003","98.74","0.003","102.13","0.003","1100.31","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O5 -","- C25 H26 Cl N O5 -","- C50 H52 Cl2 N2 O10 -","2","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","1.54248","CuKα","","0.0511","0.0368","","","0.1013","0.1087","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151766","10.834","0.01","12.591","0.012","13.097","0.012","90","","105.513","0.012","90","","1721","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 B F2 N2 O -","- C19 H19 B F2 N2 O -","- C76 H76 B4 F8 N8 O4 -","4","1","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.1724","0.0683","","","0.158","0.2024","","","","","","0.916","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151767","16.6953","0.0006","17.6555","0.0007","17.3203","0.0006","90","","96.247","0.002","90","","5075.1","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 B F2 N4 O7 S -","- C25 H21 B F2 N4 O7 S -","- C200 H168 B8 F16 N32 O56 S8 -","8","2","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.0904","0.0567","","","0.1588","0.1737","","","","","","1.051","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151768","8.9837","0.0005","16.6227","0.001","17.0722","0.0009","95.666","0.004","95.646","0.004","94.209","0.004","2515.8","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 B F2 N4 O7 S -","- C25 H21 B F2 N4 O7 S -","- C100 H84 B4 F8 N16 O28 S4 -","4","2","","Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan","Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.","Organic & biomolecular chemistry","2011","9","10","3844","3853","10.1039/c0ob00910e","","","0.71073","MoKα","","0.1097","0.0613","","","0.1637","0.1913","","","","","","1.007","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151769","13.9348","0.0003","12.1131","0.0002","23.212","0.0005","90","","92.073","0.001","90","","3915.47","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl O4 P -","- C42 H48 Cl O4 P -","- C168 H192 Cl4 O16 P4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.1092","0.0711","","","0.2109","0.2455","","","","","","1.1","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151770","7.7171","0.0003","12.5408","0.0005","17.2932","0.0007","90","","98.71","0.002","90","","1654.31","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br O -","- C22 H15 Br O -","- C88 H60 Br4 O4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.0462","0.0344","","","0.0743","0.0781","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151771","8.4569","0.0002","21.6536","0.0007","10.4183","0.0003","90","","111.158","0.002","90","","1779.21","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Chen, Ko-Wei; Syu, Siang-en; Jang, Yeong-Jiunn; Lin, Wenwei","A facile approach to highly functional trisubstituted furans via intramolecular Wittig reactions.","Organic & biomolecular chemistry","2011","9","7","2098","2106","10.1039/c0ob00912a","","","0.71073","MoKα","","0.0402","0.0285","","","0.0627","0.0666","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151772","5.6695","0.0005","13.7791","0.0013","18.04","0.0017","90","","95.532","0.011","90","","1402.7","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1075","0.0469","","","0.1047","0.1228","","","","","","0.788","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151773","6.2097","0.0007","13.1829","0.0014","15.2549","0.0018","90","","90.202","0.014","90","","1248.8","0.2","297","","297","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","2","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1263","0.0456","","","0.0793","0.0969","","","","","","0.781","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151774","6.7923","0.0007","11.6086","0.0014","20.037","0.003","90","","90","","90","","1579.9","0.3","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1093","0.0439","","","0.0788","0.0946","","","","","","0.785","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151775","6.9797","0.0007","11.9507","0.0009","17.3512","0.0012","90","","90","","90","","1447.3","0.2","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.0515","0.0415","","","0.1041","0.1087","","","","","","0.958","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151776","17.9518","0.0003","8.62335","0.00015","9.25071","0.00015","90","","96.1609","0.0015","90","","1423.78","0.04","123","","123","","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","x-ray","1.54184","CuKα","","0.0298","0.0293","","","0.0815","0.0819","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151777","38.963","0.016","9.07","0.004","25.863","0.011","90","","130.953","0.005","90","","6903","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H33 N5 O3 -","- C45 H33 N5 O3 -","- C360 H264 N40 O24 -","8","1","","Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian","Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.","Organic & biomolecular chemistry","2011","9","7","2306","2313","10.1039/c0ob00920b","","","0.71073","MoKα","","0.1951","0.0855","","","0.2202","0.2784","","","","","","0.961","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151778","6.334","0.002","10.352","0.003","12.149","0.004","94.288","0.005","99.895","0.005","101.107","0.005","765.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H29 N5 -","- C43.006 H29.006 N4.994 -","- C43.006 H29.006 N4.994 -","1","0.5","","Akhigbe, Joshua; Peters, Gretchen; Zeller, Matthias; Brückner, Christian","Unexpected hydroxylamine-induced ring-closure reactions of meso-tetraphenylsecochlorin bisaldehyde.","Organic & biomolecular chemistry","2011","9","7","2306","2313","10.1039/c0ob00920b","","","0.71073","MoKα","","0.1223","0.0615","","","0.1457","0.1625","","","","","","1.092","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151779","9.2025","0.0003","11.0726","0.0003","14.1584","0.0004","83.548","0.002","72.05","0.002","67.759","0.003","1270.33","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl3 N5 O3 -","- C25 H26 Cl3 N5 O3 -","- C50 H52 Cl6 N10 O6 -","2","1","","Wu, Wei-Bin; Chen, Shu-Han; Hou, Jin-Qiang; Tan, Jia-Heng; Ou, Tian-Miao; Huang, Shi-Liang; Li, Ding; Gu, Lian-Quan; Huang, Zhi-Shu","Disubstituted 2-phenyl-benzopyranopyrimidine derivatives as a new type of highly selective ligands for telomeric G-quadruplex DNA.","Organic & biomolecular chemistry","2011","9","8","2975","2986","10.1039/c0ob00921k","","","1.5418","CuKα","","0.0335","0.0308","","","0.086","0.0894","","","","","","0.931","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151780","8.886","0.0009","8.1987","0.0008","13.9274","0.0013","90","","101.873","0.002","90","","992.95","0.17","223.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 I K O6 -","- C12 H24 Cl2 I K O6 -","- C24 H48 Cl4 I2 K2 O12 -","2","0.5","","Mbatia, Hannah W.; Ulloa, Olbelina A.; Kennedy, Daniel P.; Incarvito, Christopher D.; Burdette, Shawn C.","Iodination of anilines and phenols with 18-crown-6 supported ICl2-.","Organic & biomolecular chemistry","2011","9","8","2987","2991","10.1039/c0ob00926a","","","0.71075","MoKα","","","0.0344","","","","0.06","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151781","7.8543","0.0006","9.3193","0.0007","10.5343","0.0006","95.589","0.004","110.786","0.002","95.62","0.004","710.15","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Br2 N4 O6 -","- C11.56 H15.15 Br0.8 N1.66 O2.52 -","- C23.12 H30.3 Br1.6 N3.32 O5.04 -","2","1","","Nour, Hany F.; Matei, Marius F.; Bassil, Bassem S.; Kortz, Ulrich; Kuhnert, Nikolai","Synthesis of tri-substituted biaryl based trianglimines: formation of C3-symmetrical and non-symmetrical regioisomers.","Organic & biomolecular chemistry","2011","9","9","3258","3271","10.1039/c0ob00944j","","","0.71073","MoKα","","0.0318","0.0274","","","0.0804","0.084","","","","","","1.003","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151782","9.102","0.002","18.341","0.005","32.012","0.008","90","","90","","90","","5344","2","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N3 O4.5 -","- C31 H32 N3 O4.5 -","- C248 H256 N24 O36 -","8","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.2333","0.1037","","","0.2595","0.3356","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151783","10.613","0.004","10.186","0.003","23.142","0.012","90","","91.9","0.04","90","","2500.4","1.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C29 H27 N3 O4 -","- C29 H27 N3 O4 -","- C116 H108 N12 O16 -","4","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0968","0.0653","","","0.1386","0.158","","","","","","1.119","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151784","9.727","0.003","9.727","0.003","25.904","0.032","90","","90","","90","","2451","3","294","2","294","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H14 N O2 -","- C15 H14 N O2 -","- C120 H112 N8 O16 -","8","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1108","0.0542","","","0.1488","0.1717","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151785","9.737","0.008","10.015","0.006","26.408","0.011","90","","90","","90","","2575","3","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0894","0.0639","","","0.1898","0.2124","","","","","","1.124","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151786","5.559","0.006","8.894","0.004","12.507","0.006","90","","92.64","0.06","90","","617.7","0.8","294","2","294","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.1612","0.063","","","0.1355","0.1654","","","","","","0.869","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151787","6.9698","0.0002","9.4671","0.0003","17.75","0.0004","90","","94.399","0.002","90","","1167.76","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3-tetraoxide monohydrate","2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate","","- C10 H9 N O6 S2 -","- C10 H9 N O6 S2 -","- C40 H36 N4 O24 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0645","0.0552","","","0.1506","0.1599","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151788","14.1894","0.0003","7.1236","0.0002","18.0588","0.0004","90","","112.627","0.001","90","","1684.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3-tetraoxide ethyl acetate","2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide ethyl acetate","","- C14 H15 N O7 S2 -","- C14 H15 N O7 S2 -","- C56 H60 N4 O28 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","1.54178","CuKα","","0.0515","0.0388","","","0.0992","0.1083","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151789","15.1983","0.0015","8.5889","0.0007","15.6813","0.0015","90","","95.42","0.01","90","","2037.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Z)-1,1,3,3-tetraoxidonaphtho(1,8-d,e)(1,3,2)dithiazin-2-yl N- (2-cyanopropan-2-yl)isobutyimidate","(Z)-1,1,3,3-tetraoxidonaphtho[1,8-d,e][1,3,2]dithiazin-2-yl N-(2-cyanopropan-2-yl)isobutyimidate","","- C18 H19 N3 O5 S2 -","- C18 H19 N3 O5 S2 -","- C72 H76 N12 O20 S8 -","4","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0732","0.0476","","","0.1021","0.1069","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151790","12.0422","0.0014","13.3971","0.0013","21.306","0.003","72.268","0.007","81.717","0.004","74.535","0.007","3148.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4-butyl-2-hydroxynaphtho(1,8-de)(1,3,2)dithiazine 1,1,3,3- tetraoxide monohydrate","4-butyl-2-hydroxynaphtho[1,8-de][1,3,2]dithiazine 1,1,3,3-tetraoxide monohydrate","","- C14 H17 N O6 S2 -","- C14 H17 N O6 S2 -","- C112 H136 N8 O48 S16 -","8","4","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.2695","0.1509","","","0.2496","0.3157","","","","","","1.094","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151791","7.2877","0.0003","8.168","0.0003","8.3571","0.0002","93.74","0.002","107.823","0.002","92.785","0.002","471.35","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","N-hydroxy-O-benzenedisulfonimide monohydrate","N-hydroxy-O-benzenedisulfonimide monohydrate","","- C6 H7 N O6 S2 -","- C6 H7 N O6 S2 -","- C12 H14 N2 O12 S4 -","2","1","","Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.","In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.","Organic & biomolecular chemistry","2011","9","7","2336","2344","10.1039/c0ob00976h","","","0.71073","MoKα","","0.0465","0.0391","","","0.0871","0.0918","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151792","10.8646","0.0011","12.0601","0.0011","20.4915","0.0018","90","","94.238","0.002","90","","2677.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl3 F3 N2 O3 S -","- C25 H24 Cl3 F3 N2 O3 S -","- C100 H96 Cl12 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.0666","0.049","","","0.1024","0.1093","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151793","17.6246","0.0014","12.9407","0.0011","20.1134","0.0017","90","","90","","90","","4587.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F3 N2 O3 S -","- C24 H23 F3 N2 O3 S -","- C192 H184 F24 N16 O24 S8 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.1136","0.0837","","","0.203","0.2232","","","","","","1.029","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151794","10.9025","0.0011","13.0141","0.0013","13.1294","0.0014","90","","96.094","0.002","90","","1852.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 F3 N2 O3 S -","- C17 H23 F3 N2 O3 S -","- C68 H92 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.0592","0.0464","","","0.1106","0.1176","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151795","13.531","0.002","17.185","0.002","19.511","0.002","108.267","0.013","106.724","0.013","101.091","0.014","3921.8","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H79 Cl8 F9 N6 O9 S3 -","- C75 H79 Cl8 F9 N6 O9 S3 -","- C150 H158 Cl16 F18 N12 O18 S6 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","1.54184","CuKα","","0.0942","0.0613","","","0.1666","0.1843","","","","","","0.987","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151796","11.8166","0.0017","16.328","0.002","13.928","0.002","90","","102.356","0.003","90","","2625","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl3 F3 N2 O3 S -","- C24 H28 Cl3 F3 N2 O3 S -","- C96 H112 Cl12 F12 N8 O12 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.1243","0.0959","","","0.1528","0.1627","","","","","","1.242","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151797","8.6993","0.0017","10.744","0.002","11.593","0.002","75.65","0.03","74.28","0.03","86.28","0.03","1010.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl2 N4 O2 Zn -","- C21 H18 Cl2 N4 O2 Zn -","- C42 H36 Cl4 N8 O4 Zn2 -","2","1","","Chen, Maliang; Lv, Xin; Liu, Yunlong; Zhao, Yun; Liu, Jing; Wang, Pi; Guo, Wei","An 2-(2'-aminophenyl)benzoxazole-based OFF-ON fluorescent chemosensor for Zn2+ in aqueous solution.","Organic & biomolecular chemistry","2011","9","7","2345","2349","10.1039/c0ob00983k","","","0.71073","MoKα","","0.038","0.0319","","","0.0946","0.1052","","","","","","1.022","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151798","18.7761","0.0016","18.7761","0.0016","43.329","0.004","90","","90","","120","","13229","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H19 N O -","- C9 H19 N O -","- C486 H1026 N54 O54 -","54","3","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0781","0.042","","","0.0861","0.0993","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151799","10.989","0.002","15.262","0.003","16.648","0.004","90","","94.25","0.003","90","","2784.4","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N3 O -","- C30 H43 N3 O -","- C120 H172 N12 O4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0695","0.0475","","","0.114","0.1271","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151800","11.903","0.0013","12.1631","0.0013","18.1","0.002","90","","93.642","0.001","90","","2615.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N O2 P -","- C29 H34 N O2 P -","- C116 H136 N4 O8 P4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0591","0.0419","","","0.1017","0.1133","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151801","10.2181","0.0007","19.3153","0.0014","19.5555","0.0014","90","","90","","90","","3859.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 N2 O -","- C42 H62 N2 O -","- C168 H248 N8 O4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0675","0.0438","","","0.0945","0.1026","","","","","","0.956","","","","has coordinates,has disorder","301861","2025-08-22","11:11:51",""
"7151802","12.6312","0.0012","12.1657","0.0012","12.2949","0.0012","90","","109.24","0.002","90","","1783.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","1","","Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong","Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.","Organic & biomolecular chemistry","2011","9","8","2680","2684","10.1039/c0ob01000f","","","0.71073","MoKα","","0.0604","0.0502","","","0.1374","0.1443","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151803","12.568","0.002","15.248","0.002","9.6494","0.0015","90","","98.182","0.003","90","","1830.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong","Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.","Organic & biomolecular chemistry","2011","9","8","2680","2684","10.1039/c0ob01000f","","","0.71073","MoKα","","0.1162","0.0568","","","0.1309","0.1479","","","","","","0.84","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151804","29.6523","0.001","17.5907","0.001","17.344","0.0007","90","","108.649","0.003","90","","8571.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 N4 S -","- C14 H10 Cl2 N4 S -","- C336 H240 Cl48 N96 S24 -","24","3","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.1132","0.0345","","","0.1011","0.1412","","","","","","0.947","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151805","10.7905","0.0004","7.483","0.0003","11.7242","0.0004","90","","108.708","0.002","90","","896.66","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cl N5 -","- C7 H6 Cl N5 -","- C28 H24 Cl4 N20 -","4","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0726","0.0547","","","0.1932","0.2112","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151806","7.3229","0.0002","9.8303","0.0003","10.161","0.0003","81.772","0.002","70.996","0.002","76.86","0.002","671.58","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Cl2 N5 -","- C13 H9 Cl2 N5 -","- C26 H18 Cl4 N10 -","2","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0472","0.0406","","","0.1172","0.1242","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151807","10.836","0.0004","16.3772","0.0006","7.6105","0.0003","90","","107.28","0.002","90","","1289.63","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 O -","- C14 H13 N5 O -","- C56 H52 N20 O4 -","4","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.0672","0.0442","","","0.1203","0.1327","","","","","","0.953","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151808","29.6523","0.001","5.863","0.0003","17.344","0.0007","90","","108.649","0.003","90","","2857","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 N4 S -","- C14 H10 Cl2 N4 S -","- C112 H80 Cl16 N32 S8 -","8","1","","Yella, Ramesh; Khatun, Nilufa; Rout, Saroj Kumar; Patel, Bhisma K.","Tandem regioselective synthesis of tetrazoles and related heterocycles using iodine.","Organic & biomolecular chemistry","2011","9","9","3235","3245","10.1039/c0ob01007c","","","0.71073","MoKα","","0.04","0.0319","","","0.0735","0.0778","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151809","5.1057","0.0005","10.2051","0.0012","40.956","0.004","90","","90","","90","","2134","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)-3-phenylpropanoate","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C80 H120 N8 O20 -","4","1","","Maity, Sibaprasad; Kumar, Pankaj; Haldar, Debasish","An amyloid-like fibril-forming supramolecular cross-β-structure of a model peptide: a crystallographic insight.","Organic & biomolecular chemistry","2011","9","10","3787","3791","10.1039/c0ob01033b","","","0.71073","MoKα","","0.0694","0.0453","","","0.1091","0.1315","","","","","","0.938","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151810","13.0021","0.0013","7.2565","0.0007","14.3625","0.0015","90","","111.335","0.001","90","","1262.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene","(E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene","","- C13 H14 Cl N O2 -","- C12.5 H14 Cl N O2 -","- C50 H56 Cl4 N4 O8 -","4","1","","Gallego, Gary; Ariafard, Alireza; Tran, Kiet; Sandoval, David; Choi, Leera; Chen, Yi-Hsun; Yates, Brian F.; Tao, Fu-Ming; Hyland, Christopher J. T.","Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes.","Organic & biomolecular chemistry","2011","9","9","3359","3363","10.1039/c0ob01046d","","","0.71073","MoKα","","0.0866","0.0758","","","0.223","0.2348","","","","","","1.083","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151811","5.4217","0.0002","20.2401","0.0009","40.725","0.0017","90","","91.593","0.001","90","","4467.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-((R)-2-chloro-2-phenylethyl)-5-(2-hydroxy-1-methoxyethyl)-N- -(4-methoxyphenethyl)-1H-pyrazolo[3,4-b]pyridin-4-amine","","- C25 H25 Cl N4 O3 -","- C25 H25 Cl N4 O3 -","- C200 H200 Cl8 N32 O24 -","8","4","","Tuccinardi, Tiziano; Zizzari, Alessandra Tania; Brullo, Chiara; Daniele, Simona; Musumeci, Francesca; Schenone, Silvia; Trincavelli, Maria Letizia; Martini, Claudia; Martinelli, Adriano; Giorgi, Gianluca; Botta, Maurizio","Substituted pyrazolo[3,4-b]pyridines as human A1 adenosine antagonists: Developments in understanding the receptor stereoselectivity","Organic & Biomolecular Chemistry","2011","9","12","4448","","10.1039/c0ob01064b","","","0.71073","MoKα","","0.2048","0.1084","","","0.1798","0.2254","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151812","10.4285","0.0015","12.4428","0.0015","14.7188","0.0015","86.41","0.003","72.131","0.002","86.886","0.003","1813","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H49 N O3 Si -","- C42 H49 N O3 Si -","- C84 H98 N2 O6 Si2 -","2","1","","Findley, Thomas J. K.; Sucunza, David; Miller, Laura C.; Helm, Matthew D.; Helliwell, Madeleine; Davies, David T.; Procter, David J.","A stereoselective, Sm(II)-mediated approach to decorated cis-hydrindanes: synthetic studies on faurinone and pleuromutilin.","Organic & biomolecular chemistry","2011","9","7","2433","2451","10.1039/c0ob01086c","","","0.71073","MoKα","","0.2302","0.0756","","","0.1387","0.1795","","","","","","0.775","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151813","11.96","0.002","16.344","0.003","7.655","0.002","90","","109.03","0.03","90","","1414.6","0.6","198","2","198","2","","","","","","","synthesis","4","C 1 c 1","C -2yc","9","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Gruner, Konstanze K.; Hopfmann, Thomas; Matsumoto, Kazuhiro; Jäger, Anne; Katsuki, Tsutomu; Knölker, Hans-Joachim","Efficient iron-mediated approach to pyrano[3,2-a]carbazole alkaloids–first total syntheses of O-methylmurrayamine A and 7-methoxymurrayacine, first asymmetric synthesis and assignment of the absolute configuration of (-)-trans-dihydroxygirinimbine.","Organic & biomolecular chemistry","2011","9","7","2057","2061","10.1039/c0ob01088j","","x-ray","0.71073","MoKα","","0.0593","0.0375","","","0.0747","0.0811","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151814","11.5224","0.0012","11.6757","0.0014","12.5624","0.0015","90","","90","","90","","1690","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H25 I O2 Si -","- C13 H25 I O2 Si -","- C52 H100 I4 O8 Si4 -","4","1","","Qi, Xian-Liang; Zhang, Jun-Tao; Feng, Jian-Peng; Cao, Xiao-Ping","Total synthesis and absolute configuration of malyngamide W.","Organic & biomolecular chemistry","2011","9","10","3817","3824","10.1039/c0ob01118e","","","0.71073","MoKα","","0.0368","0.0295","","","0.0669","0.0702","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151815","6.7967","0.0002","12.1325","0.0003","12.4682","0.0003","69.546","0.001","81.774","0.001","85.665","0.001","953.04","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo(1,7-ab)(1,5)benzodiazepine-9-carboxylate","Methyl 6-(3-nitrophenyl)-1,2,6,7-tetrahydroindolo[1,7-ab][1,5]benzodiazepine-9-carboxylate","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C46 H38 N6 O8 -","2","1","","Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming","Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.","Organic & biomolecular chemistry","2011","9","8","2925","2937","10.1039/c0ob01126f","","","0.71073","MoKα","","0.0547","0.044","","","0.1376","0.1587","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151816","10.1275","0.0004","19.1023","0.0007","8.0831","0.0003","90","","106.182","0.001","90","","1501.79","0.1","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Methyl 6,6-dimethyl-5,6-dihydroindolo(1,2-a)quinoxaline-3-carboxylate","Methyl 6,6-dimethyl-5,6-dihydroindolo[1,2-a]quinoxaline-3-carboxylate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","2","","Lin, Po-Tsung; Salunke, Deepak B.; Chen, Li-Hsun; Sun, Chung-Ming","Soluble polymer supported divergent synthesis of tetracyclic benzene-fused pyrazino/diazepino indoles: an advanced synthetic approach to bioactive scaffolds.","Organic & biomolecular chemistry","2011","9","8","2925","2937","10.1039/c0ob01126f","","","0.71073","MoKα","","0.0344","0.0318","","","0.0912","0.1044","","","","","","1.15","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151817","6.6572","0.0009","9.8399","0.0008","12.3209","0.0015","102.795","0.008","99.112","0.011","105.356","0.009","738.47","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.1289","0.0513","","","0.1022","0.1254","","","","","","0.991","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151818","6.6266","0.0007","10.1023","0.001","12.3043","0.0011","90.769","0.008","96.613","0.01","103.792","0.008","793.91","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C38 H44 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.0523","0.0373","","","0.0919","0.1003","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151819","6.121","0.006","10.219","0.003","12.1028","0.0018","80.995","0.017","83.01","0.03","82.18","0.05","736.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Bradley, Stephen A.; Bresnan, Brian J.; Draper, Sylvia M.; Geraghty, Niall W. A.; Jeffares, Mark; McCabe, Thomas; McMurry, T Brian H; O'Brien, John E","Photochemical [2 + 2] cycloaddition reactions of 6-alkenyl-3-phenylcyclohex-2-en-1-ones: using biradical conformation control to account for exceptions to the ""rule of five"".","Organic & biomolecular chemistry","2011","9","8","2959","2968","10.1039/c0ob01131b","","","0.71073","MoKα","","0.1294","0.0527","","","0.1029","0.1273","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151820","17.683","0.004","10.819","0.002","10.206","0.002","90","","114.81","0.03","90","","1772.3","0.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0905","0.0698","","","0.1715","0.1823","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151821","14.3688","0.0008","7.7163","0.0004","18.1469","0.0011","90","","111.567","0.002","90","","1871.15","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.1399","0.0521","","","0.1209","0.1338","","","","","","0.673","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151822","6.0368","0.0012","13.398","0.003","29.789","0.006","90","","90","","90","","2409.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C112 H116 N4 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0698","0.0436","","","0.1095","0.1307","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151823","10.4109","0.0005","11.0028","0.0004","11.3302","0.0005","106.305","0.002","94.754","0.002","103.828","0.002","1193.8","0.09","302","","302","","","","","","","","","4","P 1","P 1","1","","Cbz-(Leu-Leu-Aib)2-OMe","","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","- C41 H68 N6 O9 -","1","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0534","0.0434","","","0.087","0.0905","","","","","","1.576","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151824","11.5605","0.0012","45.42","0.005","15.286","0.0016","90","","95.515","0.002","90","","7989.2","1.5","100","2","100","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Boc-(Leu-Leu-RR)3-OMe","Boc-(Leu-Leu-RR)3-OMe","","- C133 H248 N18 O42 -","- C133 H248 N18 O42 -","- C266 H496 N36 O84 -","2","1","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.097","0.0859","","","0.237","0.2503","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151825","12.9034","0.0012","14.8243","0.0013","16.6694","0.0015","104.879","0.001","93.483","0.002","112.918","0.001","2791.8","0.4","200","2","200","2","","","","","","","synthesis","4","P 1","P 1","1","","Cbz-[Leu-Leu-(S,S)-Ac5cdOM]2-OMe","","- C49.5 H83 N6 O14 -","- C49.5 H83 N6 O14 -","- C99 H166 N12 O28 -","2","2","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.0574","0.0522","","","0.1427","0.1493","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7151826","15.4487","0.0014","44.175","0.004","21.6774","0.0019","90","","96.234","0.002","90","","14706","2","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-Acp)3-OMe","","- C60.5 H109.5 N9 O13.75 -","- C60.5 H109.5 N9 O13.75 -","- C484 H876 N72 O110 -","8","4","","Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.","Organic & biomolecular chemistry","2011","9","9","3303","3312","10.1039/c0ob01146k","","","0.71073","MoKα","","0.1191","0.0962","","","0.2635","0.2857","","","","","","1.096","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151827","11.2484","0.0009","8.5765","0.0005","12.9938","0.0009","90","","105.921","0.003","90","","1205.45","0.15","120.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.7107","MoKα","","","0.0364","","","","0.0452","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151828","8.5532","0.0017","18.428","0.005","8.108","0.0017","93.05","0.02","118.249","0.014","94.88","0.02","1115.3","0.5","296.1","","296.1","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","2","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.71069","MoKα","","","0.0448","","","","0.0563","","","","","","1.127","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151829","8.3858","0.0002","8.9432","0.0004","16.6524","0.0014","82.616","0.011","76.245","0.009","83.941","0.014","1199.33","0.13","120.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","2","","Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean","Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.","Organic & biomolecular chemistry","2011","9","9","3447","3456","10.1039/c0ob01152e","","","0.7107","MoKα","","","0.0442","","","","0.0555","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151830","5.805","0.004","10.234","0.006","13.495","0.008","69.524","0.007","88.465","0.014","89.34","0.013","750.8","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C34 H34 N2 O4 S2 -","2","1","","Rao, R. Mohan; Reddy, Upendar C. H.; Alinakhi,; Mulakayala, Naveen; Alvala, Mallika; Arunasree, M. K.; Poondra, Rajamohan R.; Iqbal, Javed; Pal, Manojit","Sequential coupling/desilylation-coupling/cyclization in a single pot under Pd/C-Cu catalysis: synthesis of 2-(hetero)aryl indoles.","Organic & biomolecular chemistry","2011","9","10","3808","3816","10.1039/c0ob01161d","","","0.7107","MoKα","","","0.0574","","","","0.0603","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151831","6.0736","0.0003","11.6934","0.0005","17.749","0.0009","74.4693","0.0012","86.7204","0.0013","73.3481","0.0013","1163.33","0.1","103.1","","103.1","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cl2 N Se2 -","- C27 H17 Cl2 N Se2 -","- C54 H34 Cl4 N2 Se4 -","2","1","","Mitamura, Takenori; Iwata, Kimiyo; Nomoto, Akihiro; Ogawa, Akiya","Photochemical intramolecular cyclization of o-alkynylaryl isocyanides with organic dichalcogenides leading to 2,4-bischalcogenated quinolines.","Organic & biomolecular chemistry","2011","9","10","3768","3775","10.1039/c0ob01168a","","","0.71075","MoKα","","","0.0582","","","","0.1941","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151832","6.3831","0.0014","7.837","0.003","15.41","0.003","90","","90.91","0.03","90","","770.8","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C28 H28 N8 O14 -","2","1","","Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta","Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2.","Organic & biomolecular chemistry","2011","9","9","3380","3385","10.1039/c0ob01186j","","","1.54184","CuKα","","0.2038","0.057","","","0.062","0.0838","","","","","","0.615","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151833","9.5128","0.0008","7.9036","0.0007","12.3434","0.001","90","","109.552","0.001","90","","874.53","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.0493","0.0472","","","0.1288","0.1314","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151834","9.3443","0.0007","11.4954","0.0008","16.1665","0.0011","90","","90","","90","","1736.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.041","0.039","","","0.1035","0.1055","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151835","6.1705","0.0007","7.7879","0.0008","18.703","0.003","90","","94.971","0.007","90","","895.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12.67 H12 N O2 S -","- C12 H12 N1.33333 O2.66667 S1.33333 -","- C36 H36 N4 O8 S4 -","3","0.75","","Dhara, Kalyan; Paladhi, Sushovan; Midya, Ganesh Chandra; Dash, Jyotirmayee","Synthesis of spirocyclic thiazolidinediones using ring-closing metathesis and one-pot sequential ring-closing/cross metathesis.","Organic & biomolecular chemistry","2011","9","10","3801","3807","10.1039/c0ob01248c","","","0.71073","MoKα","","0.0565","0.039","","","0.103","0.1138","","","","","","1.044","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151836","13.741","0.004","6.0599","0.0016","17.805","0.005","90","","109.656","0.003","90","","1396.2","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Hu, Jie; Liu, Lei; Yang, Shangdong; Liang, Yong-Min","Phase-transfer-catalyzed cyclization reaction of nucleophilic addition to electron-deficient 1,3-conjugated enynes for the synthesis of functionalized 4H-pyrans.","Organic & biomolecular chemistry","2011","9","9","3375","3379","10.1039/c0ob01255f","","","0.71073","MoKα","","0.1041","0.0563","","","0.1282","0.1552","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151837","9.0854","0.0018","13.43","0.003","13.56","0.003","96.34","0.03","107.73","0.03","102.33","0.03","1512","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 O P -","- C36 H32 O P -","- C72 H64 O2 P2 -","2","1","","Cinar, Mehmet Emin; Vavilala, Chandrasekhar; Fan, Jian; Schmittel, Michael","The thermal C2-C6/[2 + 2] cyclisation of enyne-allenes: reversible diradical formation.","Organic & biomolecular chemistry","2011","9","10","3776","3779","10.1039/c0ob01275k","","","0.71073","MoKα","","0.175","0.0501","","","0.1118","0.1455","","","","","","0.723","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151838","10.5465","0.0015","13.646","0.002","14.694","0.002","90","","90","","90","","2114.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O3 -","- C23 H22 Br N O3 -","- C92 H88 Br4 N4 O12 -","4","1","","Yang, Yuan-Liang; Pei, Cheng-Kui; Shi, Min","Multifunctional chiral phosphines-catalyzed highly diastereoselective and enantioselective substitution of Morita-Baylis-Hillman adducts with oxazolones.","Organic & biomolecular chemistry","2011","9","9","3349","3358","10.1039/c1ob00017a","","","0.71073","MoKα","","0.0961","0.0406","","","0.0835","0.0952","","","","","","0.903","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151839","27.513","0.003","12.2721","0.0011","12.3143","0.0011","90","","90","","90","","4157.8","0.7","297","2","297","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C156 H108 N24 O12 -","6","1.5","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.1438","0.0844","","","0.2112","0.2554","","","","","","1.125","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151840","9.261","0.0003","16.4271","0.0005","19.8316","0.0004","90","","90","","90","","3017.01","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C132 H132 N20 O20 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0694","0.0624","","","0.1703","0.1774","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151841","11.95","0.002","11.95","0.002","21.08","0.006","90","","90","","90","","3010.3","1.1","297","2","297","2","","","","","","","","4","P 43","P 4cw","78","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0838","0.077","","","0.2107","0.2197","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151842","5.8677","0.0008","12.9406","0.0018","14.433","0.002","90","","94.076","0.002","90","","1093.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F2 N O2 -","- C12 H11 F2 N O2 -","- C48 H44 F8 N4 O8 -","4","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","A cascade process for the synthesis of gem-difluoromethylene compounds.","Organic & biomolecular chemistry","2011","9","10","3878","3885","10.1039/c1ob00027f","","","0.71073","MoKα","","0.0668","0.05","","","0.1327","0.1407","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151843","4.7575","0.0002","9.8672","0.0004","16.6178","0.0006","90","","92.21","0.002","90","","779.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 Br O -","- C17 H21 Br O -","- C34 H42 Br2 O2 -","2","1","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0605","0.0525","","","0.1308","0.1449","","","","","","1.077","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151844","9.8247","0.0005","11.1954","0.0006","16.1562","0.0009","101.883","0.003","95.733","0.003","91.65","0.003","1728.04","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 O4 S -","- C19 H20 O4 S -","- C76 H80 O16 S4 -","4","2","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0798","0.0514","","","0.1409","0.1578","","","","","","1.007","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151845","11.6207","0.0012","19.274","0.002","16.3163","0.0015","90","","100.451","0.007","90","","3593.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","2","","Bondalapati, Somasekhar; Reddy, Udagandla C.; Saha, Pipas; Saikia, Anil K.","An efficient synthesis of dihydro- and tetrahydropyrans via oxonium-ene cyclization reaction.","Organic & biomolecular chemistry","2011","9","9","3428","3438","10.1039/c1ob00033k","","","0.71073","MoKα","","0.0988","0.0522","","","0.118","0.1411","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151846","4.093","0.0008","5.6694","0.0011","28.901","0.006","90","","91.42","0.03","90","","670.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br2 F2 O2 -","- C14 H8 Br2 F2 O2 -","- C28 H16 Br4 F4 O4 -","2","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.0356","0.0315","","","0.0663","0.0688","","","","","","1.118","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151847","12.711","0.003","4.8861","0.001","11.507","0.002","90","","96.33","0.03","90","","710.3","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 F3 O2 -","- C14 H9 Br2 F3 O2 -","- C28 H18 Br4 F6 O4 -","2","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.0346","0.0325","","","0.0833","0.0851","","","","","","1.148","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151848","10.434","0.002","7.7903","0.0016","17.852","0.004","90","","90","","90","","1451.1","0.5","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F2 O4 -","- C16 H14 F2 O4 -","- C64 H56 F8 O16 -","4","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.1011","0.0875","","","0.2396","0.2567","","","","","","1.086","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151849","12.696","0.002","12.411","0.002","20.491","0.004","90","","103.912","0.009","90","","3134.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N10 O7 S -","- C30 H32 N10 O7 S -","- C120 H128 N40 O28 S4 -","4","1","","Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir","Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states","Organic & Biomolecular Chemistry","2011","9","12","4444","","10.1039/c1ob05052d","","","0.71073","MoKα","","0.1064","0.0587","","","0.1188","0.1367","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151850","8.7312","0.0011","12.84","0.0017","13.682","0.0018","91.989","0.003","107.888","0.002","100.753","0.002","1427.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N10 O3 -","- C30 H30 N10 O3 -","- C60 H60 N20 O6 -","2","1","","Pramanik, Avijit; Thompson, Bethtrice; Hayes, Trina; Tucker, Kimberly; Powell, Douglas R.; Bonnesen, Peter V.; Ellis, Erick D.; Lee, Ken S.; Yu, Hongtao; Hossain, Md. Alamgir","Seven-coordinate anion complex with a tren-based urea: Binding discrepancy of hydrogen sulfate in solid and solution states","Organic & Biomolecular Chemistry","2011","9","12","4444","","10.1039/c1ob05052d","","","0.71073","MoKα","","0.0699","0.0495","","","0.1166","0.1273","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151851","8.8268","0.0018","8.9764","0.0018","16.501","0.003","99.27","0.03","96.72","0.03","118.09","0.03","1110.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H13 N3 -","- C12 H13 N3 -","- C48 H52 N12 -","4","2","","Zheng, Zisheng; Tang, Lina; Fan, Yanfeng; Qi, Xiuxiang; Du, Yunfei; Zhang-Negrerie, Daisy","Oxidative aromatic C-N bond formation: convenient synthesis of N-amino-3-nitrile-indoles via FeBr3-mediated intramolecular cyclization.","Organic & biomolecular chemistry","2011","9","10","3714","3725","10.1039/c1ob05069a","","","0.71073","MoKα","","0.1123","0.0535","","","0.1461","0.21","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151852","12.9167","0.0017","9.8437","0.0013","13.3798","0.0017","90","","107.208","0.002","90","","1625.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao","Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.","Organic & biomolecular chemistry","2011","9","10","3839","3843","10.1039/c1ob05076a","","","0.71073","MoKα","","0.0668","0.0443","","","0.0955","0.1038","","","","","","0.93","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151853","10.4347","0.0008","15.9131","0.0012","14.1048","0.001","90","","109.487","0.001","90","","2207.9","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Han, Xingchun; Jiang, Liqing; Tang, Min; Hu, Wenhao","Diastereoselective three-component reactions of aryldiazoacetates with alcohols/water and alkynals: application to substituted enelactones.","Organic & biomolecular chemistry","2011","9","10","3839","3843","10.1039/c1ob05076a","","","0.71073","MoKα","","0.0483","0.0448","","","0.1267","0.1299","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151854","11.5596","0.0006","9.9041","0.0005","13.9757","0.0007","90","","91.254","0.004","90","","1599.66","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N -","- C21 H16 Cl N -","- C84 H64 Cl4 N4 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MoKα","","0.0458","0.0383","","","0.0922","0.0957","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151855","10.071","0.0002","25.9843","0.0005","17.0032","0.0003","90","","104.46","0.01","90","","4308.6","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl (1RS,2RS,3RS,13bRS)-3-phenyl-2,3,9,13b-tetrahydro-1H -dibenzo[c,f]pyrrolo[1,2-a]azepine-1,2-dicarboxylate","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C216 H200 N8 O32 -","8","2","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MOKα","","0.0965","0.0458","","","0.0851","0.0949","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151856","36.9379","0.0014","28.7704","0.0011","15.802","0.0006","90","","113.74","0.01","90","","15372.1","1.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1RS,2SR,3SR,13bRS)-3-Phenyl-2,3,9,13b-tetrahydro-1H-dibenzo[c,f]pyrrolo [1,2-a]azepine-1,2-dicarbonitrile","","- C25.06 H19.13 Cl0.13 N3 -","- C25.0625 H19.125 Cl0.125 N3 -","- C802 H612 Cl4 N96 -","32","4","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","0.71073","MOKα","","0.1394","0.0606","","","0.1357","0.1546","","","","","","0.95","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151857","12.6196","0.0002","5.8517","0.0001","12.6336","0.0002","90","","99.29","0.01","90","","920.71","0.04","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1RS,2RS,3SR,13bRS)-3-Phenyl-2,3,9,13b-tetrahydro-1H- dibenzo[c,f]pyrrolo[1,2-a]azepine-1,2-dicarbonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C50 H38 N6 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","1.54188","CuKα","","0.0355","0.0331","","","0.0805","0.0822","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151858","10.6905","0.0002","7.6706","0.0001","29.1159","0.0004","90","","90.142","0.001","90","","2387.57","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aRS,3bRS,14SR,14aSR)-14-(4-Chlorophenyl)-2-phenyl-3b,8,14,14a- tetrahydro-dibenzo[c,f]pyrrolo[3',4':3,4]pyrrolo[1,2-a]azepine- 1,3(2H,3aH)-dione","","- C31 H23 Cl N2 O2 -","- C31 H23 Cl N2 O2 -","- C124 H92 Cl4 N8 O8 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen","An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.","Organic & biomolecular chemistry","2011","9","10","3886","3895","10.1039/c1ob05081h","","","1.54188","CUKα","","0.0525","0.0426","","","0.113","0.1178","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151859","10.1977","0.0015","16.971","0.003","11.0473","0.0017","90","","113.378","0.01","90","","1754.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Sun, Fang-gang; Ye, Song","N-heterocyclic carbene-catalyzed [4 + 1] annulation of phthalaldehyde and imines.","Organic & biomolecular chemistry","2011","9","10","3632","3635","10.1039/c1ob05092c","","","1.54186","CuKα","","0.0441","0.0371","","","0.0962","0.0994","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151860","5.9224","0.0002","11.4859","0.0004","17.6998","0.0005","90","","90","","90","","1204.01","0.07","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0296","0.0292","","","0.0746","0.0749","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151861","7.8226","0.0002","10.0497","0.0002","9.1628","0.0002","90","","102.925","0.002","90","","702.08","0.03","123","","123","","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C26 H40 O14 -","2","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0289","0.0282","","","0.0739","0.0742","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151862","10.838","0.001","7.683","0.001","12.432","0.001","90","","97.66","0.01","90","","1025.95","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rac-(2S,4S,6S)-2-methyl-2,3,4,6-tetrahydro-1H-2,6- methanobenzo(c)-(1,5)oxazocin-4-ol","rac-(2S,4S,6S)-2-methyl-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c]- [1,5]oxazocin-4-ol","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan","Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.","Organic & biomolecular chemistry","2011","9","9","3136","3138","10.1039/c1ob05124e","","","0.71073","MoKα","","0.0503","0.0394","","","0.0916","0.0977","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151863","7.5344","0.0006","22.298","0.0013","7.2117","0.0007","90","","114.172","0.007","90","","1105.35","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-(2S,4S,6S)-2,10-dimethyl-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c]- [1,5]oxazocin-4-ol","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan","Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.","Organic & biomolecular chemistry","2011","9","9","3136","3138","10.1039/c1ob05124e","","","0.71073","MoKα","","0.0438","0.0403","","","0.1004","0.1033","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151864","8.6252","0.0003","8.6773","0.0003","43.7286","0.0016","90","","90","","90","","3272.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br Fe O7 -","- C14 H13 Br Fe O7 -","- C112 H104 Br8 Fe8 O56 -","8","2","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","0.71073","MoKα","","0.0677","0.0437","","","0.0788","0.086","","","","","","1.063","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151865","27.8075","0.0004","27.8075","0.0004","6.4708","0.0001","90","","90","","120","","4333.24","0.11","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H18 Br N3 O6 -","- C19 H18 Br N3 O6 -","- C114 H108 Br6 N18 O36 -","6","1","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","1.54184","CuKα","","0.0418","0.0379","","","0.085","0.0864","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151866","9.1431","0.001","9.1984","0.0011","21.398","0.003","98.89","0.002","92.687","0.002","95.661","0.002","1765.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O3 S -","- C15 H19 F3 N2 O3 S -","- C60 H76 F12 N8 O12 S4 -","4","2","","Zhang, Fan; Liu, Zhen-Jiang; Liu, Jin-Tao","Asymmetric aza-Henry reaction of chiral fluoroalkyl α,β-unsaturated N-tert-butanesulfinyl ketoimines: an efficient approach to enantiopure fluoroalkylated α,β-diamines and α,β-diamino acids.","Organic & biomolecular chemistry","2011","9","10","3625","3628","10.1039/c1ob05132f","","","0.71073","MoKα","","0.0917","0.0562","","","0.1244","0.1391","","","","","","0.888","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151867","28.269","0.003","30.785","0.003","7.2402","0.0007","90","","90","","90","","6300.9","1.1","100","0.1","100","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","1","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0598","0.0472","","","0.1266","0.1362","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151868","9.2295","0.0005","11.037","0.0007","17.1487","0.0008","90","","121.994","0.003","90","","1481.53","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0419","0.0363","","","0.1023","0.1077","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151869","30.1583","0.0005","13.3236","0.0002","16.1956","0.0003","90","","107.909","0.001","90","","6192.35","0.18","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C256 H288 N32 O96 -","16","4","","Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan","Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.","Organic & biomolecular chemistry","2011","9","10","3629","3631","10.1039/c1ob05143a","","","0.71073","MoKα","","0.0561","0.0466","","","0.1172","0.1279","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151870","8.39707","0.00008","9.14896","0.00009","35.0858","0.0003","90","","90","","90","","2695.45","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 Cl N2 O2 Ru S -","- C31 H33 Cl N2 O2 Ru S -","- C124 H132 Cl4 N8 O8 Ru4 S4 -","4","1","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","1.54184","CuKα","","0.0299","0.0292","","","0.0742","0.0745","","","","","","1.096","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151871","10.3603","0.0002","11.0519","0.0003","14.0747","0.0003","90.6376","0.0019","103.528","0.0017","107.614","0.002","1487.55","0.06","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H37 Cl N2 O3 Ru S -","- C31 H37 Cl N2 O3 Ru S -","- C62 H74 Cl2 N4 O6 Ru2 S2 -","2","2","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","0.71073","MoKα","","0.0247","0.0233","","","0.0548","0.0553","","","","","","1.004","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151872","21.472","0.003","7.807","0.006","25.852","0.004","90","","115.95","0.02","90","","3897","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,4-diphenyloctahydroquinolin-1(2H)-ol","2,4-diphenyloctahydroquinolin-1(2H)-ol","","- C24 H28 N O -","- C24 H28 N O -","- C192 H224 N8 O8 -","8","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","0.71073","MoKα","","0.1042","0.0541","","","0.0979","0.1245","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151873","19.532","0.003","5.3933","0.0007","16.414","0.002","90","","90.279","0.012","90","","1729.1","0.4","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","4-(4-chlorophenyl)-2-phenyl-N-hydroxy decahydroquinoline","","- C21 H24 Cl N O -","- C21 H24 Cl N O -","- C84 H96 Cl4 N4 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0527","0.0411","","","0.0918","0.0953","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151874","26.535","0.003","26.535","0.003","13.671","0.002","90","","90","","120","","8336.2","1.8","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","1-hydroxy2,4, 6-triiphenylpiperazine","1-hydroxy2,4, 6-triiphenylpiperazine","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C396 H396 N36 O18 -","18","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","0.71073","MoKα","","0.0993","0.0615","","","0.1764","0.1962","","","","","","1.128","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151875","6.2211","0.0003","14.25","0.0007","19.7004","0.001","90","","90","","90","","1746.45","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","14 December 2010","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0301","0.0274","","","0.0655","0.0662","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151876","8.101","0.0016","11.081","0.002","16.926","0.003","100.23","0.03","99.2","0.03","104.73","0.03","1412.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H24 Cl F3 N2 O3 S -","- C31 H24 Cl F3 N2 O3 S -","- C62 H48 Cl2 F6 N4 O6 S2 -","2","1","","Chaitanya, T. Krishna; Nagarajan, Rajagopal","Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization","Organic & Biomolecular Chemistry","2011","9","12","4662","","10.1039/c1ob05258f","","","0.71073","MoKα","","0.1654","0.0954","","","0.1895","0.224","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151877","8.1925","0.0003","16.7763","0.0008","21.6041","0.001","90","","90","","90","","2969.3","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 F3 N2 O3 S -","- C33 H29 F3 N2 O3 S -","- C132 H116 F12 N8 O12 S4 -","4","1","","Chaitanya, T. Krishna; Nagarajan, Rajagopal","Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization","Organic & Biomolecular Chemistry","2011","9","12","4662","","10.1039/c1ob05258f","","","0.71073","MoKα","","0.0962","0.0607","","","0.139","0.1622","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151878","18.2414","0.0009","5.4302","0.0002","14.7271","0.0007","90","","105.429","0.002","90","","1406.21","0.11","150","2","150","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C64 H56 N24 -","8","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0462","0.0397","","","0.1059","0.1121","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151879","7.051","0.0002","20.8154","0.0006","7.2666","0.0002","90","","100.688","0.002","90","","1048.01","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 I2 N2 S -","- C7 H4 I2 N2 S -","- C28 H16 I8 N8 S4 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0314","0.0292","","","0.0619","0.0627","","","","","","1.201","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151880","6.8316","0.0004","13.4938","0.0007","12.1649","0.0007","90","","101.594","0.002","90","","1098.53","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I2 N3 -","- C8 H5 I2 N3 -","- C32 H20 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0319","0.0291","","","0.0675","0.069","","","","","","1.099","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151881","7.1532","0.0003","14.745","0.0006","8.1035","0.0004","90","","91.883","0.001","90","","854.25","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0232","0.0207","","","0.0504","0.0515","","","","","","1.12","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151882","7.1322","0.0002","10.9173","0.0003","13.3983","0.0004","90","","99.759","0.001","90","","1028.15","0.05","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 I2 N3 -","- C8 H5 I2 N3 -","- C32 H20 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0195","0.018","","","0.0445","0.0451","","","","","","1.138","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151883","11.8807","0.0005","7.3931","0.0003","14.398","0.0006","90","","92.696","0.002","90","","1263.25","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Cl I3 N3 -","- C8 H3 Cl I3 N3 -","- C32 H12 Cl4 I12 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0461","0.04","","","0.0924","0.0955","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151884","7.3777","0.0003","19.1576","0.0009","8.7098","0.0004","90","","111.017","0.002","90","","1149.14","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 I N3 -","- C11 H12 I N3 -","- C44 H48 I4 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0253","0.0221","","","0.0509","0.0596","","","","","","1.21","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151885","6.9744","0.0003","26.4537","0.0012","7.2619","0.0003","90","","90.717","0.002","90","","1339.71","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 I2 N3 -","- C11 H11 I2 N3 -","- C44 H44 I8 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0294","0.0281","","","0.0601","0.0606","","","","","","1.288","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151886","8.3852","0.0003","10.209","0.0003","16.0643","0.0005","90","","90","","90","","1375.18","0.08","150","2","150","2","","","","","","","synthesis as described","4","P n a b","-P 2bc 2n","60","","","","- C12 H8 I2 N4 -","- C12 H8 I2 N4 -","- C48 H32 I8 N16 -","4","0.5","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0203","0.017","","","0.0359","0.037","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151887","6.3843","0.0005","30.629","0.002","7.1492","0.0006","90","","94.735","0.003","90","","1393.22","0.18","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.077","0.0683","","","0.1439","0.1473","","","","","","1.188","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151888","11.299","0.003","4.2309","0.0009","14.743","0.003","90","","90.229","0.008","90","","704.8","0.3","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.0797","0.0565","","","0.1401","0.1539","","","","","","1.136","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151889","7.745","0.004","12.472","0.006","10.787","0.005","90","","92.06","0.014","90","","1041.3","0.9","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides","Organic & Biomolecular Chemistry","2011","9","12","4671","","10.1039/c1ob05267e","","x-ray","0.71073","MoKα","","0.1551","0.0685","","","0.1467","0.1724","","","","","","0.927","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151890","21.913","0.003","23.156","0.003","23.85","0.004","93.385","0.006","108.751","0.006","95.706","0.005","11349","3","133","","133","","","","","","","","","6","P -1","-P 1","2","","","","- C205 H292 N16 O P12 Pt6 -","- C205 H292 N16 O P12 Pt6 -","- C410 H584 N32 O2 P24 Pt12 -","2","1","","Harano, Aya; Tanaka, Minako; Nakagaki, Takeshi; Annaka, Masahiko; Ideta, Keiko; Goto, Kenta; Shinmyozu, Teruo","Changing the volume of a giant macrocycle: the swelling of the macrocycle with organic solvents.","Organic & biomolecular chemistry","2011","9","10","3611","3614","10.1039/c1ob05272a","","","0.71075","MoKα","","","0.0888","","","","0.2755","","","","","","1.031","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151891","13.323","0.002","15.987","0.003","17.448","0.003","90","","90","","90","","3716.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Br N O7 -","- C40 H36 Br N O7 -","- C160 H144 Br4 N4 O28 -","4","1","","Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang","Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate.","Organic & biomolecular chemistry","2011","9","10","3622","3624","10.1039/c1ob05291h","","","0.71073","MoKα","","0.0684","0.0509","","","0.1344","0.1463","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151892","15.475","0.006","12.2","0.004","18.441","0.007","90","","107.63","0.007","90","","3318","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N4 O5 -","- C39 H38 N4 O5 -","- C156 H152 N16 O20 -","4","1","","Liu, Wei-Yong; Li, Hai-Ying; Zhao, Bao-Xiang; Miao, Jun-Ying","Synthesis, crystal structure and living cell imaging of a Cu2±specific molecular probe","Organic & Biomolecular Chemistry","2011","9","13","4802","","10.1039/c1ob05358b","","","0.71073","MoKα","","0.0949","0.0553","","","0.1414","0.1666","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151893","10.3869","0.0006","13.1736","0.0007","15.8519","0.0008","90","","90","","90","","2169.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O3 -","- C25 H31 Br O3 -","- C100 H124 Br4 O12 -","4","1","","Stastna, Eva; Rath, Nigam P.; Covey, Douglas F.","The use of symmetry in enantioselective synthesis: Four pairs of chrysene enantiomers prepared from 19-nortestosterone","Organic & Biomolecular Chemistry","2011","9","12","4685","","10.1039/c1ob05385j","","","0.71073","MoKα","","0.0236","0.0205","","","0.0488","0.05","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151894","7.9684","0.001","10.9755","0.0014","12.0108","0.0015","72.528","0.002","72.231","0.002","83.35","0.002","953.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H17 Br O6 -","- C22 H17 Br O6 -","- C44 H34 Br2 O12 -","2","2","","Gao, Yaojun; Ren, Qiao; Ang, Swee-Meng; Wang, Jian","Enantioselective organocatalytic Michael-hemiketalization catalyzed by a trans-bifunctional indane thiourea catalyst.","Organic & biomolecular chemistry","2011","9","10","3691","3697","10.1039/c1ob05404j","","","0.71073","MoKα","","0.033","0.0302","","","0.0683","0.0698","","","","","","0.857","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151895","6.246","0.002","10.219","0.003","12.572","0.005","110.08","0.03","93.86","0.03","95.48","0.03","745.9","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Merritt, Andrew T.; Pouwer, Rebecca H.; Williams, David J.; Williams, Craig M.; Ley, Steven V.","The clerodane ring system: investigating the viability of a direct Diels–Alder approach","Organic & Biomolecular Chemistry","2011","9","13","4745","","10.1039/c1ob05422h","","","1.54178","CuKα","","0.0763","0.054","","","0.1286","0.137","","","","","","0.972","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151896","11.914","0.004","11.74","0.004","12.726","0.004","90","","106.442","0.005","90","","1707.2","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O Si -","- C16 H25 N O Si -","- C64 H100 N4 O4 Si4 -","4","1","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.1534","0.0567","","","0.1344","0.1603","","","","","","0.802","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151897","10.5629","0.0009","12.6906","0.001","12.5122","0.0009","90","","100.65","0.005","90","","1648.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O Si -","- C16 H27 N O Si -","- C64 H108 N4 O4 Si4 -","4","1","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.0836","0.0366","","","0.0618","0.0668","","","","","","0.758","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151898","17.6183","0.0011","6.826","0.0004","25.7319","0.0016","90","","109.769","0.001","90","","2912.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O Si -","- C14 H21 N O Si -","- C112 H168 N8 O8 Si8 -","8","2","","Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan","Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application","Organic & Biomolecular Chemistry","2011","9","13","4778","","10.1039/c1ob05591g","","","0.71073","MoKα","","0.1407","0.052","","","0.1137","0.1464","","","","","","0.9","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151899","6.526","0.006","11.83","0.01","12.312","0.011","90","","104.267","0.013","90","","921.2","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.1322","0.086","","","0.149","0.1641","","","","","","1.164","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151900","26.995","0.005","6.0828","0.0012","14.322","0.003","90","","117.723","0.003","90","","2081.8","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C88 H128 O32 -","4","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.067","0.061","","","0.1594","0.1647","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151901","9.6172","0.0017","14.543","0.003","27.025","0.005","90","","90","","90","","3779.8","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O8.5 -","- C19.5 H28 O8.5 -","- C156 H224 O68 -","8","2","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0933","0.0628","","","0.166","0.1948","","","","","","1.209","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151902","10.3751","0.001","7.7786","0.0007","11.4085","0.0011","90","","99.955","0.002","90","","906.85","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C40 H56 O14 -","2","1","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0375","0.0365","","","0.0918","0.0927","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151903","4.942","0.004","11.622","0.011","15.783","0.014","90","","93.573","0.014","90","","904.7","1.4","296","2","296","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Fmoc-Val-CH2OH","Fmoc-Val-CH2OH","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C40 H46 N2 O6 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.0758","0.041","","","0.0508","0.0548","","","","","","1.456","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151904","10.578","0.004","11.206","0.004","23.306","0.008","90","","90","","90","","2762.6","1.7","296","2","296","2","","","101.325","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Boc-Aib-Ala-Leu-CH2OH","Boc-Aib-Ala-Leu-CH2OH","","- C19 H36 Cl3 N3 O5 -","- C19 H36 Cl3 N3 O5 -","- C76 H144 Cl12 N12 O20 -","4","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.2755","0.0673","","","0.1608","0.2113","","","","","","0.715","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151905","9.704","0.003","13.077","0.003","25.661","0.007","90","","90","","90","","3256.4","1.5","296","2","200","","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Dipeptide alcohol","Dipeptide alcohol","","- C13 H26 N2 O4 -","- C13 H26 N2 O4 -","- C104 H208 N16 O32 -","8","2","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.1186","0.0653","","","0.0964","0.1069","","","","","","1.592","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151906","6.967","0.0014","10.517","0.002","11.826","0.002","87.388","0.003","73.485","0.003","85.092","0.003","827.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O4 Se -","- C16 H20 N2 O4 Se -","- C32 H40 N4 O8 Se2 -","2","1","","Bhabak, Krishna P.; Vernekar, Amit A.; Jakka, Surendar R.; Roy, Gouriprasanna; Mugesh, Govindasamy","Mechanistic investigations on the efficient catalytic decomposition of peroxynitrite by ebselen analogues.","Organic & biomolecular chemistry","2011","9","14","5193","5200","10.1039/c0ob01234c","","","0.71073","MoKα","","0.0451","0.0395","","","0.1084","0.1116","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151907","9.0838","0.0014","24.279","0.002","14.5751","0.0018","90","","102.451","0.002","90","","3138.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Jiang, Bo; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang; Li, Guigen","New multicomponent cyclization: domino synthesis of pentasubstituted pyridines under solvent-free conditions.","Organic & biomolecular chemistry","2011","9","11","4025","4028","10.1039/c0ob01258k","","","0.71073","MoKα","","0.143","0.0721","","","0.1719","0.1987","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151908","12.6769","0.0002","12.8446","0.0002","14.6153","0.0003","91.343","0.001","94.061","0.001","106.217","0.001","2277.06","0.07","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H66 O6 -","- C50 H66 O6 -","- C100 H132 O12 -","2","1","","Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin","Bridge-substituted calix[4]arenes: syntheses, conformations and application.","Organic & biomolecular chemistry","2011","9","11","4347","4352","10.1039/c1ob00028d","","","0.71073","MoKα","","0.0525","0.0395","","","0.1108","0.1304","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:11:51",""
"7151909","11.5457","0.0002","24.1928","0.0005","17.0958","0.0003","90","","96.098","0.001","90","","4748.23","0.15","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H70 O6 -","- C52 H70 O6 -","- C208 H280 O24 -","4","1","","Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin","Bridge-substituted calix[4]arenes: syntheses, conformations and application.","Organic & biomolecular chemistry","2011","9","11","4347","4352","10.1039/c1ob00028d","","","0.71073","MoKα","","0.0943","0.0581","","","0.152","0.1674","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151910","7.168","0.003","15.046","0.007","9.688","0.004","90","","90","","90","","1044.8","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.0612","0.0429","","","0.0879","0.0966","","","","","","0.975","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151911","7.272","0.004","11.909","0.006","17.041","0.008","90","","90","","90","","1475.8","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.1164","0.0616","","","0.1496","0.1772","","","","","","0.974","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151912","10.628","0.004","34.498","0.009","7.374","0.003","90","","90","","90","","2703.6","1.7","93","2","93","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C12 H14 B F4 N3 O -","- C12 H14 B F4 N3 O -","- C96 H112 B8 F32 N24 O8 -","8","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.1024","0.0586","","","0.0972","0.1106","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151913","6.7538","0.0009","10.5562","0.0015","17.047","0.002","90","","90","","90","","1215.4","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 B F4 N3 -","- C11 H12 B F4 N3 -","- C44 H48 B4 F16 N12 -","4","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0459","0.0439","","","0.1195","0.1218","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151914","8.2061","0.0017","7.6948","0.0016","10.792","0.002","90","","101.725","0.005","90","","667.2","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H7 B F9 N3 -","- C11 H7 B F9 N3 -","- C22 H14 B2 F18 N6 -","2","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0638","0.0528","","","0.1303","0.1421","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151915","5.5353","0.0002","6.5391","0.0003","15.0596","0.0007","85.657","0.001","81.972","0.001","89.189","0.002","538.2","0.04","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C22 H20 Cl2 N6 O2 -","2","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0317","0.0302","","","0.0817","0.0834","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151916","5.6105","0.0002","6.4884","0.0003","15.2886","0.0007","86.338","0.002","81.785","0.002","89.249","0.002","549.71","0.04","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C22 H20 Br2 N6 O2 -","2","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0192","0.0179","","","0.0446","0.0452","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151917","3.8164","0.0001","12.722","0.0003","46.6476","0.0013","90","","90","","90","","2264.85","0.1","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C88 H80 Cl8 N24 O16 -","8","2","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0454","0.0403","","","0.0874","0.0898","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151918","28.52","0.005","8.754","0.005","14.701","0.005","90","0.005","110.802","0.005","90","0.005","3431","2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N4 O3 -","- C21 H14 N4 O3 -","- C168 H112 N32 O24 -","8","1","","Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence","A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.","Organic & biomolecular chemistry","2011","9","11","4295","4305","10.1039/c1ob05176h","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.0905","0.0953","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151919","14.338","0.001","34.567","0.003","18.529","0.002","90","","106.02","0.01","90","","8826.7","1.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H124 O10 P4 S2 -","- C96 H124 O10 P4 S2 -","- C384 H496 O40 P16 S8 -","4","1","","Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre","Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.","Organic & biomolecular chemistry","2011","9","14","5086","5091","10.1039/c1ob05194f","","","1.5418","CuKα","","0.1591","0.1298","","0.295","0.2574","0.295","","","","","","1.072","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151920","11.9557","0.0004","15.3805","0.0004","22.8398","0.0006","95.81","0.002","95.876","0.002","90.902","0.002","4154.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H123 Cl3 O11 P2 -","- C87 H123 Cl3 O11 P2 -","- C174 H246 Cl6 O22 P4 -","2","1","","Vachon, Jérôme; Harthong, Steven; Jeanneau, Erwann; Aronica, Christophe; Vanthuyne, Nicolas; Roussel, Christian; Dutasta, Jean-Pierre","Inherently chiral phosphonatocavitands as artificial chemo- and enantio-selective receptors of natural ammoniums.","Organic & biomolecular chemistry","2011","9","14","5086","5091","10.1039/c1ob05194f","","","1.5418","CuKα","","0.0993","0.0923","","0.1992","0.19","0.1992","","","","","","1.0423","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151921","9.713","0.002","11.179","0.002","13.663","0.003","90","","109.59","0.03","90","","1397.7","0.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","Compound 7","5-hydroxy-2-(p-tolylthio)naphthalene-1,4-dione","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.","Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.","Organic & biomolecular chemistry","2011","9","11","4315","4322","10.1039/c1ob05209h","","x-ray","0.71073","MoKα","","0.1224","0.0509","","","0.1104","0.1351","","","","","","0.951","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151922","8.9234","0.0007","8.6499","0.0007","17.8425","0.0008","90","","103.821","0.007","90","","1337.33","0.17","130","2","130","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-2-(p-tolylthio)naphthalene-1,4-dione","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","da Rocha, David R.; de Souza, Ana C. G.; Resende, Jackson A. L. C.; Santos, Wilson C.; dos Santos, Evelyne A.; Pessoa, Cláudia; de Moraes, Manoel O.; Costa-Lotufo, Letícia V; Montenegro, Raquel C.; Ferreira, Vitor F.","Synthesis of new 9-hydroxy-α- and 7-hydroxy-β-pyran naphthoquinones and cytotoxicity against cancer cell lines.","Organic & biomolecular chemistry","2011","9","11","4315","4322","10.1039/c1ob05209h","","x-ray","1.54184","CuKα","","0.0476","0.0345","","","0.0869","0.0934","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151923","10.879","0.007","8.725","0.006","17.898","0.012","90","","92.108","0.009","90","","1698","2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Zhou, Wei; An, Guanghui; Zhang, Guangqian; Han, Jianlin; Pan, Yi","Ligand-free palladium-catalyzed intramolecular Heck reaction of secondary benzylic bromides.","Organic & biomolecular chemistry","2011","9","16","5833","5837","10.1039/c1ob05231d","","","0.71073","MoKα","","0.0985","0.065","","","0.1438","0.1506","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151924","18.6624","0.0003","6.6549","0.0001","19.1657","0.0004","90","","105.704","0.0008","90","","2291.46","0.07","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20.5 H26.5 N4 O11.75 Os -","- C20.5 H23.5 N4 O11.75 Os -","- C82 H94 N16 O47 Os4 -","4","2","","Sugizaki, Kaori; Ikeda, Shuji; Yanagisawa, Hiroyuki; Okamoto, Akimitsu","Facile synthesis of hydroxymethylcytosine-containing oligonucleotides and their reactivity upon osmium oxidation.","Organic & biomolecular chemistry","2011","9","11","4176","4181","10.1039/c1ob05247k","","","0.71073","MoKα","","0.0395","0.033","","","0.0688","0.0712","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151925","11.4682","0.0011","19.7219","0.0018","9.6293","0.0009","90","","103.607","0.005","90","","2116.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Triazolo-pyrazine","","","- C23 H25 F N4 O2 S -","- C23 H25 F N4 O2 S -","- C92 H100 F4 N16 O8 S4 -","4","1","","Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb","A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.","Organic & biomolecular chemistry","2011","9","16","5856","5862","10.1039/c1ob05255a","","","0.71073","MoKα","","0.0511","0.0423","","","0.1308","0.1436","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151926","7.9258","0.0004","16.4316","0.0008","12.9933","0.0006","90","","105.595","0.002","90","","1629.87","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triazolo-pyrazine","","","- C18 H15 F3 N4 -","- C18 H15 F3 N4 -","- C72 H60 F12 N16 -","4","2","","Chowdhury, Chinmay; Mukherjee, Sanjukta; Chakraborty, Biswajit; Achari, Basudeb","A rapid and facile method for the general synthesis of 3-aryl substituted 4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazines and their ring fused analogues.","Organic & biomolecular chemistry","2011","9","16","5856","5862","10.1039/c1ob05255a","","","0.71073","MoKα","","0.1039","0.0783","","","0.2102","0.2271","","","","","","1.109","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151927","4.8025","0.0002","11.5872","0.0008","33.05","0.002","90","","90","","90","","1839.15","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin- 4-ylmethylene-hydrazine hydrate","","- C22 H19 N5 O2 -","- C22 H19 N5 O2 -","- C88 H76 N20 O8 -","4","1","","Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania","Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.","Organic & biomolecular chemistry","2011","9","14","5137","5148","10.1039/c1ob05288h","","","0.71073","MoKα","","0.1048","0.0573","","","0.0966","0.1106","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151928","24.252","0.003","9.3398","0.0011","17.6282","0.0017","90","","102.784","0.005","90","","3894","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin-4-ylmethylene- -hydrazine hydrate with methanol","","- C22.42 H17 N5 O2 -","- C22.416 H17 N5 O2 -","- C179.328 H136 N40 O16 -","8","1","","Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania","Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.","Organic & biomolecular chemistry","2011","9","14","5137","5148","10.1039/c1ob05288h","","","0.71073","MoKα","","0.1469","0.0932","","","0.218","0.244","","","","","","1.09","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151929","6.352","0.003","7.033","0.003","10.437","0.004","83.301","0.007","77.06","0.007","77.613","0.007","442.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Nair, Vijay; Sinu, C. R.; Rejithamol, R.; Seetha Lakshmi, K. C.; Suresh, Eringathodi","A novel NHC-catalyzed transformation of 2H-chromene-3-carboxaldehydes to 3-methyl-2H-chromen-2-ones.","Organic & biomolecular chemistry","2011","9","15","5511","5514","10.1039/c1ob05325f","","","0.71073","MoKα","","0.0663","0.0602","","","0.1584","0.1636","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151930","7.3206","0.001","19.054","0.003","8.7032","0.0012","90","","99.593","0.002","90","","1197","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H5 Cl3 N4 -","- C11 H5 Cl3 N4 -","- C44 H20 Cl12 N16 -","4","1","","Niu, Hong-Ying; Xia, Chao; Qu, Gui-Rong; Zhang, Qian; Jiang, Yi; Mao, Run-Ze; Li, De-Yang; Guo, Hai-Ming","CuBr Catalyzed C-N cross coupling reaction of purines and diaryliodonium salts to 9-arylpurines.","Organic & biomolecular chemistry","2011","9","14","5039","5042","10.1039/c1ob05333g","","","0.71073","MoKα","","0.0526","0.0458","","","0.1353","0.1412","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151931","7.4524","0.001","19.81","0.003","11.805","0.0016","90","","90.816","0.003","90","","1742.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F N2 -","- C23 H17 F N2 -","- C92 H68 F4 N8 -","4","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.","Organic & biomolecular chemistry","2011","9","16","5682","5691","10.1039/c1ob05371j","","","0.71073","MoKα","","0.1051","0.0472","","","0.088","0.1012","","","","","","0.802","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151932","23.699","0.002","10.1868","0.0009","17.9095","0.0017","90","","123.02","0.001","90","","3625.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F2 N2 -","- C23 H18 F2 N2 -","- C184 H144 F16 N16 -","8","1","","Chen, Zixian; Zhu, Jiangtao; Xie, Haibo; Li, Shan; Wu, Yongming; Gong, Yuefa","Selective synthesis of poly-substituted fluorine-containing pyridines and dihydropyrimidines via cascade C-F bond cleavage protocol.","Organic & biomolecular chemistry","2011","9","16","5682","5691","10.1039/c1ob05371j","","","0.71073","MoKα","","0.0683","0.0559","","","0.1447","0.1527","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151933","19.404","0.004","8.0536","0.0016","11.589","0.002","90","","102.32","0.03","90","","1769.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong","Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.","Organic & biomolecular chemistry","2011","9","15","5358","5361","10.1039/c1ob05440f","","","0.71073","MoKα","","0.1056","0.0401","","","0.0815","0.1257","","","","","","1.132","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151934","13.657","0.003","8.1149","0.0016","13.751","0.003","90","","94.69","0.03","90","","1518.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 -","- C19 H13 N3 -","- C76 H52 N12 -","4","1","","Jiang, Huanfeng; Ji, Xiaochen; Li, Yibiao; Chen, Zhengwang; Wang, Azhong","Palladium-assisted multicomponent cyclization of aromatic aldehydes, arylamines and terminal olefins under molecular oxygen: an assembly of 1,4-dihydropyridines.","Organic & biomolecular chemistry","2011","9","15","5358","5361","10.1039/c1ob05440f","","","0.71073","MoKα","","0.0633","0.0429","","","0.1039","0.1265","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151935","5.935","0.003","23.843","0.01","11.898","0.005","90","","93.864","0.005","90","","1679.8","1.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F3 O3 -","- C18 H19 F3 O3 -","- C72 H76 F12 O12 -","4","1","","Wang, Tong; Ye, Song","Phosphine-catalyzed [3 + 2] cycloaddition of allenoates with trifluoromethylketones: synthesis of dihydrofurans and tetrahydrofurans.","Organic & biomolecular chemistry","2011","9","14","5260","5265","10.1039/c1ob05444a","","","0.71073","MoKα","","0.0887","0.0811","","","0.1772","0.1821","","","","","","1.246","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151936","10.396","0.002","10.88","0.002","19.224","0.004","90","","90","","90","","2174.4","0.7","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0466","0.0398","","","0.0871","0.0896","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151937","24.17","0.004","7.6936","0.0012","12.38","0.002","90","","112.922","0.003","90","","2120.3","0.6","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0637","0.0487","","","0.114","0.121","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151938","11.6786","0.0003","14.5262","0.0004","8.7114","0.0002","90","","103.82","0.001","90","","1435.07","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(3-(1-napththyl)-3-oxopropanoyl)cyclopropanecarboxylate","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter","Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.","Organic & biomolecular chemistry","2011","9","14","5172","5184","10.1039/c1ob05455d","","","0.71073","MoKα","","0.0509","0.0434","","","0.1267","0.1322","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151939","9.4464","0.0003","8.3079","0.0003","19.3443","0.0007","90","","94.272","0.002","90","","1513.92","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 1-(1-(4-methoxybenzoyl)cyclopropanecarbonyl)cyclopropanecarboxylate","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Rahn, Thomas; Bendrath, Franziska; Hein, Martin; Baumann, Wolfgang; Jiao, Haijun; Börner, Armin; Villinger, Alexander; Langer, Peter","Synthesis and characterization of bis-cyclopropanated 1,3,5-tricarbonyl compounds. A combined synthetic, spectroscopic and theoretical study.","Organic & biomolecular chemistry","2011","9","14","5172","5184","10.1039/c1ob05455d","","","0.71073","MoKα","","0.056","0.0416","","","0.1063","0.1133","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151940","7.8373","0.0007","8.6462","0.0008","13.3583","0.0012","90","","94.152","0.002","90","","902.82","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C38 H44 O10 S2 -","2","1","","Ren, Qiao; Gao, Yaojun; Wang, Jian","Chiral indane skeleton based thiourea catalyzed highly stereoselective cascade Michael-enolation-cyclization reaction.","Organic & biomolecular chemistry","2011","9","14","5297","5302","10.1039/c1ob05477e","","","0.71073","MoKα","","0.0447","0.0428","","","0.1088","0.1102","","","","","","1.076","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151941","11.543","0.004","19.853","0.007","12.183","0.005","90","","97.935","0.004","90","","2765.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C56 H34 N6 O2 -","- C56 H34 N6 O2 -","- C112 H68 N12 O4 -","2","0.5","","Hu, Shu-Zhen; Chen, Chuan-Feng","Hg(2+) recognition by triptycene-derived heteracalixarenes: selectivity tuned by bridging heteroatoms and macrocyclic cavity.","Organic & biomolecular chemistry","2011","9","16","5838","5844","10.1039/c1ob05515a","","","0.71073","MoKα","","0.1157","0.0948","","","0.2137","0.2254","","","","","","1.117","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151942","7.128","0.0004","7.3609","0.0004","10.9238","0.0006","90.492","0.003","98.609","0.003","112.463","0.003","522.34","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Methyl 5,6-dibromo-1H-indole-3-carboxylate","Methyl 5,6-dibromo-1H-indole-3-carboxylate","","- C10 H7 Br2 N O2 -","- C10 H7 Br2 N O2 -","- C20 H14 Br4 N2 O4 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","0.71073","MoKα","","0.0358","0.0276","","","0.0559","0.0598","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151943","7.0596","0.0003","10.693","0.0004","11.4729","0.0004","96.062","0.002","94.194","0.002","106.037","0.002","822.95","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1-tert-Butyl-3-methyl 5,6-dibromo-1H-indole-1,3-dicarboxylate","1-tert-Butyl-3-methyl 5,6-dibromo-1H-indole-1,3-dicarboxylate","","- C15 H15 Br2 N O4 -","- C15 H15 Br2 N O4 -","- C30 H30 Br4 N2 O8 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","0.71073","MoKα","","0.0585","0.0387","","","0.0701","0.0763","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151944","11.0874","0.0006","7.5403","0.0004","18.872","0.001","90","","90","","90","","1577.74","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5,6-Dibromo-1H-indole","5,6-Dibromo-1H-indole","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C64 H40 Br16 N8 -","8","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54184","CuKα","","0.0281","0.0279","","","0.0777","0.0778","","","","","","1.197","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151945","8.8688","0.0004","6.0886","0.0003","16.8852","0.0008","90","","91.443","0.003","90","","911.49","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5,6-Tribromo-1H-indole","3,5,6-Tribromo-1H-indole","","- C8 H4 Br3 N -","- C8 H4 Br3 N -","- C32 H16 Br12 N4 -","4","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54184","CuKα","","0.0254","0.0251","","","0.0663","0.0666","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151946","7.6033","0.0004","8.0327","0.0004","9.661","0.0005","68.061","0.003","66.835","0.003","73.873","0.003","497.24","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","3,5,6-Tribromo-N-methyl-1H-indole","3,5,6-Tribromo-N-methyl-1H-indole","","- C9 H6 Br3 N -","- C9 H6 Br3 N -","- C18 H12 Br6 N2 -","2","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54178","CuKα","","0.0236","0.0234","","","0.0619","0.0621","","","","","","1.175","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151947","16.4115","0.0013","8.1684","0.0005","17.6258","0.0013","90","","96.614","0.003","90","","2347.1","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H64 N6 O7 Si2 -","- C46 H64 N6 O7 Si2 -","- C92 H128 N12 O14 Si4 -","2","1","","Sacchetti, Alessandro; Silvani, Alessandra; Gatti, Francesco G.; Lesma, Giordano; Pilati, Tullio; Trucchi, Beatrice","Addition of TMSCN to chiral ketimines derived from isatin. Synthesis of an oxindole-based peptidomimetic and a bioactive spirohydantoin.","Organic & biomolecular chemistry","2011","9","15","5515","5522","10.1039/c1ob05532a","","","0.71073","MoKα","","0.0467","0.0356","","","0.0829","0.0896","","","","","","1.028","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151948","11.18","0.003","9.4995","0.0018","12.049","0.003","90","","111.894","0.005","90","","1187.4","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(1-(4-chlorophenyl)ethyl)pyrrolidin-2-one","","","- C12 H15 Cl N2 O -","- C12 H15 Cl N2 O -","- C48 H60 Cl4 N8 O4 -","4","1","","Jiang, Ran; Xu, Hai-Yan; Xu, Xiao-Ping; Chu, Xue-Qiang; Ji, Shun-Jun","Direct alkylation of indoles and amines by tert-enamides: facile access to pharmaceutically active 2-oxo-1-pyrrolidine analogues.","Organic & biomolecular chemistry","2011","9","16","5659","5669","10.1039/c1ob05546a","","","0.71075","MoKα","","0.0731","0.0529","","","0.1287","0.1404","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151949","9.0917","0.0008","9.8531","0.0009","29.228","0.002","90","","90","","90","","2618.3","0.4","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0855","0.0641","","","0.1324","0.1411","","","","","","1.116","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151950","4.7957","0.0014","19.605","0.006","9.913","0.003","90","","100.076","0.004","90","","917.6","0.5","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0537","0.0505","","","0.1348","0.1377","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151951","9.056","0.005","9.842","0.004","29.153","0.017","90","","90","","90","","2598","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.1032","0.0711","","","0.1383","0.1512","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151952","8.1115","0.0003","5.6573","0.0002","18.0697","0.0007","90","","92.887","0.003","90","","828.15","0.05","120","2","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 Cl2 O3 -","- C19 H14 Cl2 O3 -","- C38 H28 Cl4 O6 -","2","1","","Zhang, Qi; Xiao, Xiao; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective synthesis of γ-substituted butenolides via the vinylogous Mukaiyama-Michael reaction catalyzed by a chiral scandium(iii)-N,N'-dioxide complex.","Organic & biomolecular chemistry","2011","9","16","5748","5754","10.1039/c1ob05558e","","","0.7107","MoKα","","0.0318","0.0273","","","0.0591","0.0602","","","","","","0.914","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151953","9.0593","0.0003","15.3579","0.0005","19.9706","0.0006","90","","90","","90","","2778.55","0.15","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R)-2,6-anhydro-4-O-[tert-butyl(dimethyl)silyl]-3-deoxy -1-(methoxyamino)-3-(methoxycarbonyl)-5-O-(methoxymethyl) -5-C-methyl-6-pentyl-L-reythro-hex-2-enose","","- C23 H43 N O8 Si -","- C23 H43 N O8 Si -","- C92 H172 N4 O32 Si4 -","4","1","","Kobayashi, Kenichi; Okamoto, Iwao; Morita, Nobuyoshi; Kiyotani, Tamiko; Tamura, Osamu","Synthesis of the proposed structure of phaeosphaeride A.","Organic & biomolecular chemistry","2011","9","16","5825","5832","10.1039/c1ob05612c","","","1.54187","CuKα","","0.0713","0.0569","","","0.1155","0.1255","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151954","9.4142","0.0009","16.609","0.0017","16.8295","0.0017","90","","105.173","0.001","90","","2539.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 N2 -","- C30 H28 Cl2 N2 -","- C120 H112 Cl8 N8 -","4","1","","Yang, Yan-Fang; Shu, Xing-Zhong; Wei, Hai-Long; Luo, Jian-Yi; Ali, Shaukat; Liu, Xue-Yuan; Liang, Yong-Min","FeCl(3)-Mediated synthesis of polysubstituted tetrahydroquinolines via domino Mannich/Friedel-Crafts reactions of aldehydes and amines.","Organic & biomolecular chemistry","2011","9","14","5028","5033","10.1039/c1ob05646h","","","0.71073","MoKα","","0.0603","0.04","","","0.0957","0.1067","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151955","11.4767","0.0003","9.9382","0.0003","14.0372","0.0005","90","","92.646","0.003","90","","1599.34","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl3 N5 O Zn -","- C10 H16 Cl3 N5 O Zn -","- C40 H64 Cl12 N20 O4 Zn4 -","4","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.7107","MoKα","","0.0418","0.0413","","","0.0904","0.0905","","","","","","1.591","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151956","8.3518","0.0003","10.0642","0.0005","21.5006","0.001","96.082","0.004","94.259","0.004","112.541","0.004","1646.72","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl8 N10 Zn3 -","- C20 H28 Cl8 N10 Zn3 -","- C40 H56 Cl16 N20 Zn6 -","2","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.7107","MoKα","","0.0223","0.0214","","","0.0695","0.0702","","","","","","1.169","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7151957","7.0591","0.0004","15.6552","0.0007","13.2731","0.0006","90","","98.24","0.005","90","","1451.69","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 Cl2 N5 O2 -","- C9 H21 Cl2 N5 O2 -","- C36 H84 Cl8 N20 O8 -","4","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0278","0.0261","","","0.0674","0.0684","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151958","7.6673","0.0004","7.8804","0.0005","13.4349","0.0007","101.599","0.005","91.479","0.004","91.095","0.005","794.67","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl4 Cu N5 -","- C9 H17 Cl4 Cu N5 -","- C18 H34 Cl8 Cu2 N10 -","2","1","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0366","0.0352","","","0.0944","0.0955","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151959","7.8356","0.0004","13.1475","0.0006","15.8482","0.0009","76.546","0.004","84.994","0.004","81.751","0.004","1568.96","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl4 N5 Zn -","- C9 H17 Cl4 N5 Zn -","- C36 H68 Cl16 N20 Zn4 -","4","2","","Trávníček, Zdeněk; Novotná, Radka; Marek, Jaromír; Popa, Igor; Sipl, Michal","Transformations of the natural cytokinin N6-isopentenyladenine in aqueous acidic media: structural aspects.","Organic & biomolecular chemistry","2011","9","16","5703","5713","10.1039/c1ob05649b","","","0.71073","MoKα","","0.0432","0.0403","","","0.1079","0.11","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151960","8.5748","0.0006","14.9184","0.001","23.0172","0.0015","90","","90","","90","","2944.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O11 S -","- C26 H33 N5 O11 S -","- C104 H132 N20 O44 S4 -","4","1","","Shen, Fengjuan; Li, Xiaoliu; Zhang, Xiaoyuan; Yin, Qingmei; Qin, Zhanbin; Chen, Hua; Zhang, Jinchao; Ma, Zhaipu","Microwave-assisted synthesis of dinucleoside analogues containing a thiazolidin-4-one linkage via one-pot tandem Staudinger/aza-Wittig/cyclization.","Organic & biomolecular chemistry","2011","9","16","5766","5772","10.1039/c1ob05675a","","","0.71073","MoKα","","0.1144","0.0591","","","0.1498","0.1773","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151961","16.0335","0.0017","9.3932","0.001","15.1","0.0016","90","","109.749","0.002","90","","2140.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O -","- C25 H27 Br N2 O -","- C100 H108 Br4 N8 O4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.08","0.0439","","","0.079","0.1093","","","","","","0.905","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151962","8.197","0.002","22.507","0.006","12.208","0.003","90","","101.368","0.004","90","","2208.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 O -","- C25 H27 Br N2 O -","- C100 H108 Br4 N8 O4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0461","0.0354","","","0.0782","0.0817","","","","","","1.096","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151963","13.9702","0.0009","9.4045","0.0006","18.4052","0.0012","90","","94.432","0.001","90","","2410.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 O2 S -","- C27 H27 Br N2 O2 S -","- C108 H108 Br4 N8 O8 S4 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0533","0.0356","","","0.0772","0.0928","","","","","","0.958","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151964","13.7253","0.0011","10.4969","0.0008","16.7159","0.0013","90","","102.557","0.002","90","","2350.7","0.3","180","2","180","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C50 H62 N4 O9 -","- C50 H62 N4 O9 -","- C100 H124 N8 O18 -","2","0.5","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.1423","0.0661","","","0.1864","0.2116","","","","","","0.845","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151965","9.903","0.0013","10.8311","0.0014","19.231","0.002","90","","90","","90","","2062.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C96 H92 N12 O16 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0554","0.0445","","","0.0786","0.0817","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151966","11.3829","0.0013","12.3833","0.0015","13.4311","0.0016","90","","90","","90","","1893.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Chen, Jia; Chen, Jian-Jun; Yao, Xiaojun; Gao, Kun","Kopsihainanines A and B, two unusual alkaloids from Kopsia hainanensis.","Organic & biomolecular chemistry","2011","9","15","5334","5336","10.1039/c1ob05724c","","","0.71073","MoKα","","0.0786","0.0447","","","0.0795","0.0898","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151967","9.84534","0.00019","13.7667","0.0003","35.643","0.0007","90","","90","","90","","4830.98","0.17","203.1","","203","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H69 N5 O6 Si4 -","- C37 H69 N5 O6 Si4 -","- C148 H276 N20 O24 Si16 -","4","1","","Meng, Xiangtai; Moriuchi, Toshiyuki; Tohnai, Norimitsu; Miyata, Mikiji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Hirao, Toshikazu","Synthesis and assembling properties of bioorganometallic cyclometalated Au(iii) alkynyls bearing guanosine moieties.","Organic & biomolecular chemistry","2011","9","16","5633","5636","10.1039/c1ob05842h","","","1.54187","CuKα","","","0.0718","","","","0.1962","","","","","","0.913","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151968","46.284","0.003","12.2793","0.0007","11.1201","0.0007","90","","90","","90","","6319.9","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c n","-P 2n 2ab","60","","","","- C32 H42 N O2 P Si -","- C32 H42 N O2 P Si -","- C256 H336 N8 O16 P8 Si8 -","8","1","","Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha","C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.","Organic & biomolecular chemistry","2011","9","18","6246","6255","10.1039/c1ob05705g","","","0.71073","MoKα","","0.1212","0.0732","","","0.2194","0.2376","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151969","11.502","0.002","11.404","0.002","23.465","0.005","90","","93.2","0.03","90","","3073.1","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cl2 Si4 -","- C22 H38 Cl2 Si4 -","- C88 H152 Cl8 Si16 -","4","1","","Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha","C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.","Organic & biomolecular chemistry","2011","9","18","6246","6255","10.1039/c1ob05705g","","","0.71073","MoKα","","0.1575","0.1168","","","0.3644","0.3912","","","","","","1.153","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151970","18.725","0.001","10.407","0.0009","12.115","0.0014","90","","122.302","0.001","90","","1995.5","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Fused Butenolides","","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0539","0.0483","","","0.1156","0.1197","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151971","6.1283","0.0007","8.0991","0.001","22.952","0.003","90","","92.622","0.002","90","","1138","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Fused Butenolides","","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0906","0.0617","","","0.1502","0.1649","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151972","5.0397","0.0003","14.3513","0.001","10.316","0.0007","90","","98.118","0.001","90","","738.64","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Butenolides","","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0678","0.0658","","","0.1684","0.1702","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151973","10.4595","0.001","8.2649","0.0008","13.4821","0.0013","90","","110.602","0.002","90","","1090.95","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","chromene","","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","","Patel, Ramesh M.; Puranik, Vedavati G.; Argade, Narshinha P.","Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: Synthesis of natural and unnatural butenolides.","Organic & biomolecular chemistry","2011","9","18","6312","6322","10.1039/c1ob05709j","","","0.71073","MoKα","","0.0495","0.0395","","","0.0998","0.1071","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151974","16.1331","0.0014","37.634","0.003","17.1581","0.0015","90","","98.715","0.002","90","","10297.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H123 N7 O9 -","- C87 H123 N7 O9 -","- C348 H492 N28 O36 -","4","1","","Cornut, Damien; Marrot, Jérôme; Wouters, Johan; Jabin, Ivan","Acid-base modulation of a versatile heteroditopic calix[6]arene based receptor.","Organic & biomolecular chemistry","2011","9","18","6373","6384","10.1039/c1ob05759f","","","0.71073","MoKα","","0.1499","0.0822","","","0.2253","0.2463","","","","","","1.048","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151975","15.853","0.0013","15.5929","0.0015","25.462","0.002","90","","115.951","0.006","90","","5659.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 N4 O2 -","- C72 H70 N4 O2 -","- C288 H280 N16 O8 -","4","1","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.3205","0.0669","","","0.1052","0.1745","","","","","","0.668","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151976","13.7947","0.0009","9.0999","0.0006","22.2042","0.0016","90","","105.631","0.005","90","","2684.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 N4 O2 -","- C68 H70 N4 O2 -","- C136 H140 N8 O4 -","2","0.5","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.1494","0.0677","","","0.147","0.1723","","","","","","0.86","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151977","12.0856","0.001","17.2822","0.0016","16.4631","0.0016","90","","129.164","0.006","90","","2666.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 N4 O2 -","- C68 H70 N4 O2 -","- C136 H140 N8 O4 -","2","0.5","","Keller, Stephan; Yi, Chenyi; Li, Chen; Liu, Shi-Xia; Blum, Carmen; Frei, Gabriela; Sereda, Olha; Neels, Antonia; Wandlowski, Thomas; Decurtins, Silvio","Synthesis, structures, redox and photophysical properties of benzodifuran-functionalised pyrene and anthracene fluorophores.","Organic & biomolecular chemistry","2011","9","18","6410","6416","10.1039/c1ob05778b","","","0.71073","MoKα","","0.1715","0.0527","","","0.0803","0.1006","","","","","","0.686","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151978","14.5009","0.0018","16.212","0.002","14.5134","0.0018","97.198","0.002","99.991","0.002","86.541","0.002","3331.1","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C60C6H4Cl5Cl_toluene","C60C6H4Cl5Cl_toluene","","- C97 H28 Cl6 -","- C97 H28 Cl6 -","- C194 H56 Cl12 -","2","1","","Hashiguchi, Masahiko; Watanabe, Kazuhiro; Matsuo, Yutaka","Facile fullerene modification: FeCl(3)-mediated quantitative conversion of C(60) to polyarylated fullerenes containing pentaaryl(chloro)[60]fullerenes.","Organic & biomolecular chemistry","2011","9","18","6417","6421","10.1039/c1ob05895a","","","0.71073","MoKα","","0.1994","0.1051","","","0.2953","0.3703","","","","","","1.102","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151979","20.3125","0.0012","20.3125","0.0012","15.9673","0.0011","90","","90","","120","","5705.4","0.6","291","2","291","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C225 H216 Br9 N9 O27 -","9","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","1.54184","CuKα","","0.1031","0.0842","","","0.1875","0.198","","","","","","1.082","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151980","7.4163","0.0003","14.0432","0.0006","25.9274","0.001","90","","90","","90","","2700.3","0.19","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N O2 S -","- C32 H33 N O2 S -","- C128 H132 N4 O8 S4 -","4","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","0.71073","MoKα","","0.089","0.0517","","","0.0886","0.1012","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151981","19.4658","0.0004","7.8017","0.0001","15.153","0.0003","90","","110.941","0.001","90","","2149.23","0.07","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6-phenyl-4H-pyrido(1,2-a)pyrimidin-4-one","6-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Molnár, Annamária; Kapros, Anita; Párkányi, László; Mucsi, Zoltán; Vlád, Gábor; Hermecz, István","Suzuki-Miyaura cross-coupling reactions of halo derivatives of 4H-pyrido[1,2-a]pyrimidin-4-ones.","Organic & biomolecular chemistry","2011","9","19","6559","6565","10.1039/c1ob05505d","","","1.54187","CuKα","","0.0438","0.0342","","","0.0874","0.0968","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151982","16.3465","0.0011","23.3116","0.0018","17.2917","0.0013","90","","116.247","0.007","90","","5909.9","0.8","293","1","293","1","","","","","","","","5","C 1 c 1","C -2yc","9","Cone-5d","","","- C63 H66 F9 N3 O9 -","- C63 H66 F9 N3 O9 -","- C252 H264 F36 N12 O36 -","4","1","","Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.","Organic & biomolecular chemistry","2011","9","19","6535","6541","10.1039/c1ob05564j","","","0.71073","Mo-Kα","","0.0848","0.0563","","","0.1292","0.1402","","","","","","1.042","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151983","11.411","0.004","15.482","0.005","16.504","0.007","92.63","0.03","97.69","0.03","106.65","0.03","2757.4","1.8","293","2","140","1","","","","","","","","5","P -1","-P 1","2","Cone-5c","","","- C60 H66 F3 N3 O9 -","- C60 H66 F3 N3 O9 -","- C120 H132 F6 N6 O18 -","2","1","","Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.","Organic & biomolecular chemistry","2011","9","19","6535","6541","10.1039/c1ob05564j","","","0.71073","Mo-Kα","","0.3008","0.2672","","","0.5722","0.5898","","","","","","2.321","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151984","11.2799","0.0006","15.1788","0.0009","21.4815","0.0013","90","","90","","90","","3678","0.4","140","1","140","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 41","","","- C33 H42 Cl2 O17 -","- C33 H42 Cl2 O17 -","- C132 H168 Cl8 O68 -","4","1","","Nepogodiev, Sergey A.; Fais, Margherita; Hughes, David L.; Field, Robert A.","Synthesis of apiose-containing oligosaccharide fragments of the plant cell wall: fragments of rhamnogalacturonan-II side chains A and B, and apiogalacturonan.","Organic & biomolecular chemistry","2011","9","19","6670","6684","10.1039/c1ob05587a","","","0.71073","Mo-Kα","","0.0486","0.0372","","","0.0894","0.0925","","","","","","1.048","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151985","28.965","0.014","36.811","0.018","15.395","0.016","90","","90","","90","","16415","2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C159 H215 N8 O50.5 Rh4 -","- C158 H170 N8 O50.5 Rh4 -","- C632 H680 N32 O202 Rh16 -","4","1","","Mattiza, Jens T.; Fohrer, Joerg G. G.; Duddeck, Helmut; Gardiner, Michael G.; Ghanem, Ashraf","Optimizing dirhodium(ii) tetrakiscarboxylates as chiral NMR auxiliaries.","Organic & biomolecular chemistry","2011","9","19","6542","6550","10.1039/c1ob05665d","","","0.710673","Synchrotron","","0.0488","0.0418","","","0.1014","0.1054","","","","","","1.079","","","","has coordinates,has disorder","180305","2020-10-21","18:00:00",""
"7151986","9.823","0.002","11.349","0.002","15.262","0.003","90","","97.43","0.03","90","","1687.1","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 N O3 -","- C18 H15 Cl2 N O3 -","- C72 H60 Cl8 N4 O12 -","4","1","","Xie, Peizhong; Huang, You; Lai, Wenqing; Meng, Xiangtai; Chen, Ruyu","Bifunctional phosphine-catalyzed cross-Rauhut-Currier/Michael/aldol condensation triple domino reaction: synthesis of functionalized cyclohexenes.","Organic & biomolecular chemistry","2011","9","19","6707","6714","10.1039/c1ob05693j","","","1.54187","CuKα","","0.0596","0.059","","","0.1533","0.1539","","","","","","1.093","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7151987","6.9697","0.0014","9.891","0.002","13.577","0.003","91.1","0.03","103.89","0.03","109.35","0.03","852.3","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl2 N O3 -","- C18 H15 Cl2 N O3 -","- C36 H30 Cl4 N2 O6 -","2","1","","Xie, Peizhong; Huang, You; Lai, Wenqing; Meng, Xiangtai; Chen, Ruyu","Bifunctional phosphine-catalyzed cross-Rauhut-Currier/Michael/aldol condensation triple domino reaction: synthesis of functionalized cyclohexenes.","Organic & biomolecular chemistry","2011","9","19","6707","6714","10.1039/c1ob05693j","","","1.54187","CuKα","","0.0456","0.0448","","","0.1248","0.1259","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151988","9.7445","0.0002","9.7445","0.0002","37.3937","0.0005","90","","90","","120","","3075.02","0.1","150","","150","","","","","","","","synthesis as described","4","P 65","P 65","170","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C138 H132 N12 O24 -","6","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0474","","","","0.0555","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151989","10.5991","0.0004","6.3352","0.0002","11.6093","0.0005","90","","93.8504","0.0016","90","","777.77","0.05","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","1","","Cowley, Andrew R.; Hill, Thomas J.; Kocis, Petr; Moloney, Mark G.; Stevenson, Robert D.; Thompson, Amber L.","Spirocyclic systems derived from pyroglutamic acid.","Organic & biomolecular chemistry","2011","9","20","7042","7056","10.1039/c1ob05708a","","","0.71073","MoKα","","","0.0313","","","","0.035","","","","","","1.0537","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151990","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151991","13.3376","0.0019","14.03","0.002","17.956","0.003","88.064","0.005","70.67","0.004","73.874","0.005","3039.6","0.8","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha gamma mixed peptide","(S,E)-ethyl 4-((S)-2-(tert-butoxycarbonylamino)propanamido) -5-methylhex-2-enoate Chemical Formula: C17H30N2O5","","- C17 H30 N2 O5 -","- C17 H30 N2 O5 -","- C102 H180 N12 O30 -","6","6","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1817","0.0881","","","0.1946","0.2449","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151992","10.669","0.002","9.092","0.002","15.882","0.004","90","","90.923","0.005","90","","1540.4","0.6","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","Boc-dgAib-OEt","(E)-ethyl 4-(tert-butoxycarbonylamino)-4-methylpent-2-enoate","","- C13 H24 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1649","0.0651","","","0.1879","0.2427","","","","","","0.986","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151993","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151994","5.053","0.002","9.812","0.005","13.498","0.006","73.64","0.009","84.653","0.009","78.566","0.009","628.9","0.5","100","2","100","2","","","101.325","","","","Synthesis","4","P 1","P 1","1","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","1","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1066","0.0663","","","0.1509","0.1751","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151995","9.978","0.004","10.083","0.003","16.904","0.006","90","","90","","90","","1700.7","1","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgV-OEt","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1149","0.0581","","","0.1589","0.195","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151996","27.199","0.003","6.8079","0.0008","16.539","0.002","90","","107.39","0.002","90","","2922.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Orenes, Raul-Angel; Vidal, Angel","Unprecedented intramolecular [3 + 2] cycloadditions of azido-ketenimines and azido-carbodiimides. Synthesis of indolo[1,2-a]quinazolines and tetrazolo[5,1-b]quinazolines.","Organic & biomolecular chemistry","2011","9","19","6741","6749","10.1039/c1ob05745f","","","0.71073","MoKα","","0.0602","0.054","","","0.1222","0.1259","","","","","","1.143","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151997","19.4794","0.0008","12.5963","0.0005","13.921","0.0006","90","","98.538","0.002","90","","3377.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 Cl2 N4 O2 -","- C43 H34 Cl2 N4 O2 -","- C172 H136 Cl8 N16 O8 -","4","0.5","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Orenes, Raul-Angel; Vidal, Angel","Unprecedented intramolecular [3 + 2] cycloadditions of azido-ketenimines and azido-carbodiimides. Synthesis of indolo[1,2-a]quinazolines and tetrazolo[5,1-b]quinazolines.","Organic & biomolecular chemistry","2011","9","19","6741","6749","10.1039/c1ob05745f","","","0.71073","MoKα","","0.0589","0.0542","","","0.1384","0.1424","","","","","","1.017","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151998","11.7115","0.0011","14.9304","0.0015","11.9095","0.0012","90","","118.098","0.001","90","","1837","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C84 H80 N8 O24 -","4","1","","Dou, Guolan; Shi, Daqing","One pot synthesis of cis-bispyrimidodiazepinone derivatives via low-valent titanium reagent (TiCl(4)/Sm).","Organic & biomolecular chemistry","2011","9","20","7065","7070","10.1039/c1ob05791j","","","0.71073","MoKα","","0.1054","0.0459","","","0.083","0.1058","","","","","","1.122","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7151999","7.779","0.0016","8.9198","0.0018","12.746","0.003","99.79","0.03","105.99","0.03","107.38","0.03","780.1","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 O6 P -","- C15 H19 O6 P -","- C30 H38 O12 P2 -","2","1","","Yu, Jipan; Zhao, Xiaona; Miao, Zhiwei; Chen, Ruyu","Highly diastereoselective vinylogous Mukaiyama aldol reaction of α-keto phosphonates with 2-(trimethylsilyloxy)furan catalyzed by Cu(OTf)(2).","Organic & biomolecular chemistry","2011","9","19","6721","6726","10.1039/c1ob05822c","","","0.71073","MoKα","","0.0462","0.0378","","","0.1005","0.1056","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152000","9.859","0.002","17.767","0.004","12.361","0.003","90","","91.25","0.03","90","","2164.7","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H44 N4 Ni O6 S -","- C43.5 H43.5 N4 Ni O6.25 S -","- C87 H87 N8 Ni2 O12.5 S2 -","2","1","","Song, Guowei; Jin, Meihong; Li, Zhenjiang; Ouyang, Pingkai","Asymmetric synthesis of α,β-diamino acid derivates via Mannich-type reactions of a chiral Ni(ii) complex of glycine with N-tosyl imines.","Organic & biomolecular chemistry","2011","9","20","7144","7150","10.1039/c1ob05848g","","","0.71073","MoKα","","0.1003","0.0678","","","0.1661","0.1919","","","","","","1.065","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152001","6.09459","0.00014","7.56496","0.00017","33.7307","0.0008","84.8926","0.0019","87.4794","0.0019","88.9974","0.0018","1547.35","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 F17 Ge -","- C31.997 H23 F16.991 Ge -","- C63.994 H46 F33.982 Ge2 -","2","1","","Carr, James L.; Sejberg, Jimmy J. P.; Saab, Fabienne; Holdom, Mary D.; Davies, Anna M.; White, Andrew J. P.; Leatherbarrow, Robin J.; Beavil, Andrew J.; Sutton, Brian J.; Lindell, Stephen D.; Spivey, Alan C.","Synthesis of the C19 methyl ether of aspercyclide A via germyl-Stille macrocyclisation and ELISA evaluation of both enantiomers following optical resolution.","Organic & biomolecular chemistry","2011","9","19","6814","6824","10.1039/c1ob05862b","","","1.54184","CuKα","","0.0609","0.0517","","","0.1368","0.1415","","","","","","1.047","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152002","5.8122","0.0004","17.1465","0.0014","36.266","0.003","90","","93.295","0.001","90","","3608.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O4 S6 -","- C18.6305 H19.6305 O2 S2.8695 -","- C149.044 H157.044 O16 S22.956 -","8","2","","Das, Soumyajit; Bedi, Anjan; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Cyclopenta[c]selenophene based cooligomers and their polymers: comparative study with thiophene analogues.","Organic & biomolecular chemistry","2011","9","20","6963","6972","10.1039/c1ob05866e","","","0.71073","MoKα","","0.1638","0.1515","","","0.4817","0.5028","","","","","","2.401","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152003","5.7974","0.0007","17.042","0.002","41.927","0.005","90","","90.92","0.005","90","","4141.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Br2 O2 S2 Se -","- C19 H18 Br2 O2 S2 Se -","- C152 H144 Br16 O16 S16 Se8 -","8","2","","Das, Soumyajit; Bedi, Anjan; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Cyclopenta[c]selenophene based cooligomers and their polymers: comparative study with thiophene analogues.","Organic & biomolecular chemistry","2011","9","20","6963","6972","10.1039/c1ob05866e","","","0.71073","MoKα","","0.0983","0.0467","","","0.124","0.1575","","","","","","0.937","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152004","16.814","0.004","13.493","0.003","8.7591","0.0018","90","","100.732","0.005","90","","1952.4","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O5 -","- C25 H18 N2 O5 -","- C100 H72 N8 O20 -","4","1","","Kudale, Amit A.; Miller, David O.; Dawe, Louise N.; Bodwell, Graham J.","Intramolecular Povarov reactions involving 3-aminocoumarins.","Organic & biomolecular chemistry","2011","9","20","7196","7206","10.1039/c1ob05867c","","","0.7107","MoKα","","0.1154","0.0992","","","0.1784","0.1859","","","","","","1.305","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152005","16.4686","0.0019","16.933","0.0019","36.391","0.004","90","","90","","90","","10148","2","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H62 Br2 O10 -","- C51 H62 Br2 O10 -","- C408 H496 Br16 O80 -","8","1","","Liu, Luzhi; Cao, Derong; Jin, Yi; Tao, Hongqi; Kou, Yuhui; Meier, Herbert","Efficient synthesis of copillar[5]arenes and their host-guest properties with dibromoalkanes.","Organic & biomolecular chemistry","2011","9","20","7007","7010","10.1039/c1ob05871a","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152006","7.6651","0.0006","13.1131","0.0009","29.874","0.002","90","","90","","90","","3002.7","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H34 N2 O12 -","- C28 H34 N2 O12 -","- C112 H136 N8 O48 -","4","0.5","","Wang, Liang; Xia, Xu-Dong; Guo, Wei; Chen, Jia-Rong; Xiao, Wen-Jing","Palladium-catalyzed C-H acetoxylation of 2-methoxyimino-2-aryl-acetates and acetamides.","Organic & biomolecular chemistry","2011","9","20","6895","6898","10.1039/c1ob05887h","","","0.71073","MoKα","","0.0485","0.0418","","","0.1173","0.1216","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7152007","9.636","0.002","9.93","0.002","14.63","0.003","88.48","0.002","85.747","0.002","80.272","0.002","1375.8","0.5","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","2","","Yu, Xingxin; Yang, Qin; Lou, Honglei; Peng, Yiyuan; Wu, Jie","An efficient approach to pyrazolo[5,1-a]isoquinolin-2-amines via a silver(i)-catalyzed three-component reaction of 2-alkynylbenzaldehyde, sulfonohydrazide, and nitrile.","Organic & biomolecular chemistry","2011","9","20","7033","7037","10.1039/c1ob05917c","","","0.71073","MoKα","","0.0581","0.0507","","","0.1335","0.1436","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152008","8.4105","0.0017","5.6321","0.0011","10.022","0.002","90","","107.78","0.003","90","","452.05","0.16","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","1","","Devi, Rema B.; Henrot, Matthias; De Paolis, Michaël; Maddaluno, Jacques","Domino alkylation/oxa-Michael of 1,3-cyclohexanediones: Steering the C/O-chemoselectivity to reach tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2011","9","19","6509","6512","10.1039/c1ob05923h","","x-ray","0.71073","MoKα","","0.0366","0.0354","","","0.0966","0.098","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152009","24.215","0.004","14.85","0.002","16.053","0.002","90","","124.684","0.003","90","","4746.8","1.2","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Co N6 O2 -","- C24 H18 Cl2 Co N6 O2 -","- C192 H144 Cl16 Co8 N48 O16 -","8","1","","Das, Sudipta; Guha, Subarna; Banerjee, Arnab; Lohar, Sisir; Sahana, Animesh; Das, Debasis","2-(2-Pyridyl) benzimidazole based Co(ii) complex as an efficient fluorescent probe for trace level determination of aspartic and glutamic acid in aqueous solution: A displacement approach.","Organic & biomolecular chemistry","2011","9","20","7097","7104","10.1039/c1ob05951c","","","0.71073","MoKα","","0.0862","0.0539","","","0.1435","0.1613","","","","","","1.044","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152010","18.004","0.003","39.249","0.006","8.1408","0.0011","90","","90","","90","","5752.6","1.5","123","","123","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C288 H240 N16 O48 -","16","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0476","0.0391","","","0.0546","0.0557","","","","","","1.675","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152011","10.6098","0.0013","18.036","0.002","9.5122","0.0012","90","","98.751","0.001","90","","1799","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0495","0.0403","","","0.0985","0.1039","","","","","","1.027","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152012","29.149","0.006","7.5081","0.0015","15.387","0.003","90","","107.3","0.002","90","","3215.2","1.1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Genady, Afaf R.; Nakamura, Hiroyuki","Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.","Organic & biomolecular chemistry","2011","9","20","7180","7189","10.1039/c1ob05952a","","","0.71073","MoKα","","0.0693","0.0448","","","0.0954","0.1059","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152013","5.1207","0.0004","18.0019","0.0011","5.8831","0.0005","90","","109.066","0.008","90","","512.57","0.07","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-tert-butyl (2-oxothietan-3-yl)carbamate","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C16 H26 N2 O6 S2 -","2","1","","Aubry, Sylvain; Sasaki, Kaname; Eloy, Laure; Aubert, Geneviève; Retailleau, Pascal; Cresteil, Thierry; Crich, David","Exploring the potential of the β-thiolactones in bioorganic chemistry.","Organic & biomolecular chemistry","2011","9","20","7134","7143","10.1039/c1ob05967j","","","1.54187","CuKα","","0.0719","0.0539","","","0.126","0.1749","","","","","","1.169","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152014","5.48411","0.00017","8.0007","0.0002","41.2338","0.0012","90","","90.353","0.003","90","","1809.17","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C68 H100 N12 O8 S4 -","4","1","","Craig, Donald; Harvey, John W.; O'Brien, Alexander G; White, Andrew J. P.","Claisen rearrangements of equilibrating allylic azides.","Organic & biomolecular chemistry","2011","9","20","7057","7061","10.1039/c1ob05972f","","","0.71073","MoKα","","0.1493","0.1083","","","0.1913","0.2018","","","","","","1.212","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152015","13.7746","0.0009","11.7176","0.0008","19.9018","0.0012","90","","127.838","0.004","90","","2536.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1128","0.0434","","","0.0731","0.0843","","","","","","0.853","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152016","10.4445","0.001","14.899","0.002","16.596","0.002","90","","90","","90","","2582.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1486","0.0554","","","0.1058","0.1299","","","","","","0.909","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152017","8.3411","0.0013","17.2794","0.0017","12.2343","0.0019","90","","98.713","0.005","90","","1743","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1036","0.0456","","","0.0945","0.1098","","","","","","0.879","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152018","14.6003","0.0006","17.4066","0.0008","9.8449","0.0003","90","","115.519","0.002","90","","2257.91","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C104 H100 N4 O20 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.045","0.0334","","","0.0713","0.0749","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152019","10.9806","0.0006","8.1088","0.0004","26.2218","0.0015","90","","90","","90","","2334.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.09","0.0412","","","0.0945","0.1257","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152020","7.9089","0.0007","9.6396","0.0009","10.547","0.008","90.566","0.005","97.78","0.005","97.777","0.004","789","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.0923","0.0514","","","0.1151","0.129","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152021","10.8021","0.0012","10.5357","0.0007","13.5435","0.0012","90","","124.2","0.006","90","","1274.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Br N2 O3 -","- C12 H15 Br N2 O3 -","- C48 H60 Br4 N8 O12 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.0608","0.0372","","","0.0777","0.084","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152022","11.9261","0.0005","17.9405","0.0014","15.2365","0.0011","90","","96.061","0.004","90","","3241.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","2","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.116","0.0504","","","0.0984","0.1154","","","","","","0.92","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152023","10.0665","0.0017","8.4236","0.0014","12.792","0.002","90","","96.133","0.003","90","","1078.5","0.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N O3 S2 -","- C21 H29 N O3 S2 -","- C42 H58 N2 O6 S4 -","2","1","","Zhang, Hua; Li, Ya; Xu, Wei; Zheng, Wenrui; Zhou, Pei; Sun, Zhihua","Practical and stereoselective synthesis of β-amino sulfones from alkyl phenyl sulfones and N-(tert-butylsulfinyl) aldimines.","Organic & biomolecular chemistry","2011","9","19","6502","6505","10.1039/c1ob05992k","","","0.71073","MoKα","","0.0295","0.028","","","0.0722","0.0735","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152024","9.3107","0.0007","9.3161","0.0007","11.1998","0.0011","92.711","0.004","114.378","0.003","100.866","0.003","860.44","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","5-phenyldihydroazulene","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","1","","Skov, Louise; Petersen, Michael Åxman; Broman, Søren Lindbæk; Bond, Andrew D.; Nielsen, Mogens Brøndsted","New synthetic route to substituted dihydroazulene photoswitches.","Organic & biomolecular chemistry","2011","9","19","6498","6501","10.1039/c1ob06059g","","","0.71073","MoKα","","0.0444","0.0349","","","0.0852","0.0907","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152025","8.494","0.002","11.25","0.003","14.974","0.004","90","","93.01","0.004","90","","1428.9","0.6","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-(diphenylphosphoryl)((S)-1-(quinolin-8-ylsulfonyl)pyrrolidin-2-yl)methanol","","- C30 H33 N2 O6 P S -","- C30 H33 N2 O6 P S -","- C60 H66 N4 O12 P2 S2 -","2","1","","Zeng, Zhiping; Luo, Ping; Jiang, Yao; Liu, Yan; Tang, Guo; Xu, Pengxiang; Zhao, Yufen; Blackburn, G. Michael","Chiral phosphoproline-catalyzed asymmetric Michael addition of ketones to nitroolefins: an experimental and theoretical study.","Organic & biomolecular chemistry","2011","9","20","6973","6978","10.1039/c1ob06143g","","","0.71073","MoKα","","0.0522","0.0485","","","0.1243","0.1265","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152026","10.2884","0.0003","13.649","0.0003","18.6062","0.0005","110.437","0.002","95.594","0.002","91.674","0.002","2431.07","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H15.5 N6 O2.75 -","- C9 H15.5 N6 O2.75 -","- C72 H124 N48 O22 -","8","4","","González-Jiménez, Mario; Arenas-Valgañón, Jorge; Calle, Emilio; Casado, Julio","Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil.","Organic & biomolecular chemistry","2011","9","22","7680","7684","10.1039/c1ob05686g","","","1.54178","CuKα","","0.0463","0.0414","","","0.1096","0.1164","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152027","30.3355","0.0008","7.26159","0.00018","18.3813","0.0005","90","","100.442","0.002","90","","3982.05","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cl2 Fe O7 -","- C19 H18 Cl2 Fe O7 -","- C152 H144 Cl16 Fe8 O56 -","8","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0281","0.0233","","","0.0618","0.063","","","","","","1.068","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152028","10.1269","0.0004","10.2163","0.0003","12.6671","0.0003","100.953","0.002","106.792","0.003","110.272","0.003","1113.84","0.07","100.2","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Fe O7 -","- C24 H26 Fe O7 -","- C48 H52 Fe2 O14 -","2","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0386","0.031","","","0.0685","0.0723","","","","","","1.063","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152029","9.7069","0.0002","13.1541","0.0003","16.1134","0.0004","90","","91.268","0.001","90","","2056.94","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe O7 -","- C21 H22 Fe O7 -","- C84 H88 Fe4 O28 -","4","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","1.54178","CuKα","","0.0293","0.0261","","","0.0663","0.0678","","","","","","0.986","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152030","10.2155","0.0004","10.6315","0.0004","13.011","0.0005","102.007","0.003","106.062","0.003","110.218","0.003","1199.83","0.09","100.1","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 Fe O7 -","- C26 H30 Fe O7 -","- C52 H60 Fe2 O14 -","2","1","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0576","0.045","","","0.1062","0.1155","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152031","6.94866","0.00009","15.94213","0.00019","36.7435","0.0005","90","","93.4868","0.0012","90","","4062.78","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Fe O7 -","- C21 H22 Fe O7 -","- C168 H176 Fe8 O56 -","8","2","","Lee, Do W.; Pandey, Rajesh K.; Lindeman, Sergey; Donaldson, William A.","Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins.","Organic & biomolecular chemistry","2011","9","22","7742","7747","10.1039/c1ob05720k","","","0.7107","MoKα","","0.0476","0.0364","","","0.0869","0.089","","","","","","1.141","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152032","7.525","0.003","10.852","0.004","11.633","0.004","103.951","0.006","105.568","0.007","99.03","0.006","862.8","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","racemic cyclo(2-hydroxy-2-((3,4,5- trimethyloxy)phenylmethyl)glycyl-prolyl","racemic cyclo[2-hydroxy-2-[(3,4,5-trimethyloxy)phenylmethyl]glycyl-prolyl","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew","Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.","Organic & biomolecular chemistry","2011","9","21","7476","7481","10.1039/c1ob05722g","","","0.71073","MoKα","","0.1443","0.0579","","","0.1453","0.1914","","","","","","1.057","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152033","9.7941","0.0014","10.3009","0.0015","17.223","0.002","90","","90","","90","","1737.6","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-cyclo(N-cyclohexyloxy-2-((beta-pyridyl) methylene)glycyl- prolyl","(S)-cyclo[N-cyclohexyloxy-2-[(β-pyridyl) methylene]glycyl-prolyl","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew","Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.","Organic & biomolecular chemistry","2011","9","21","7476","7481","10.1039/c1ob05722g","","","0.71073","MoKα","","0.0458","0.0321","","","0.0741","0.0829","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152034","6.9814","0.0002","20.5732","0.0006","9.8023","0.0002","90","","105.643","0.001","90","","1355.75","0.06","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 Se2 -","- C11 H16 N4 Se2 -","- C44 H64 N16 Se8 -","4","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0436","0.0293","","","0.0663","0.0872","","","","","","1.646","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152035","6.893","0.002","20.222","0.006","9.776","0.003","90","","106.617","0.005","90","","1305.8","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N4 S2 -","- C11 H16 N4 S2 -","- C44 H64 N16 S8 -","4","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0594","0.0407","","","0.1011","0.1131","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152036","11.551","0.0006","8.8676","0.0004","14.669","0.0009","90","","107.566","0.003","90","","1432.48","0.13","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 Se2 -","- C12 H18 N4 Se2 -","- C48 H72 N16 Se8 -","4","0.5","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.0576","0.0404","","","0.0982","0.11","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152037","11.7252","0.0009","8.7848","0.0007","33.465","0.003","90","","90","","90","","3447","0.5","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H20 N4 Se2 -","- C13 H20 N4 Se2 -","- C104 H160 N32 Se16 -","8","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.1313","0.0601","","","0.127","0.1419","","","","","","0.837","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152038","16.89","0.04","15.29","0.04","16.64","0.04","90","","110.63","0.03","90","","4022","17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl4 N7 O2 -","- C44 H45 Cl4 N7 O2 -","- C176 H180 Cl16 N28 O8 -","4","1","","Kolesnikov, Grigory V.; German, Konstantin E.; Kirakosyan, Gayane; Tananaev, Ivan G.; Ustynyuk, Yuri A.; Khrustalev, Victor N.; Katayev, Evgeny A.","Macrocyclic receptor for pertechnetate and perrhenate anions.","Organic & biomolecular chemistry","2011","9","21","7358","7364","10.1039/c1ob05873h","","","0.71073","MoKα","","0.3707","0.0906","","","0.1391","0.2213","","","","","","0.876","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152039","27.4384","0.001","5.6289","0.0002","22.7063","0.0008","90","","112.241","0.003","90","","3246","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Cl2 O6 -","- C17 H16 Cl2 O6 -","- C136 H128 Cl16 O48 -","8","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0339","0.0264","","","0.0702","0.0719","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152040","8.2989","0.0006","10.1312","0.0007","10.4773","0.0007","86.56","0.005","83.809","0.005","70.127","0.005","823.36","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C36 H36 O16 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0497","0.0365","","","0.0938","0.0971","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152041","10.152","0.002","8.2423","0.0016","12.511","0.003","90","","99.49","0.03","90","","1032.5","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 O7 -","- C25 H22 O7 -","- C50 H44 O14 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0315","0.0276","","","0.0677","0.0688","","","","","","0.983","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152042","7.9176","0.0004","11.1261","0.0006","11.5814","0.0007","89.052","0.005","80.895","0.004","77.206","0.004","982.18","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O8 -","- C23 H20 O8 -","- C46 H40 O16 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0527","0.0326","","","0.0741","0.0773","","","","","","0.85","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152043","9.7224","0.0003","8.1879","0.0002","23.1457","0.0008","90","","95.519","0.003","90","","1834","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl O7 -","- C20 H19 Cl O7 -","- C80 H76 Cl4 O28 -","4","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.0446","0.0303","","","0.072","0.0743","","","","","","0.968","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152044","9.0595","0.0004","11.5721","0.0005","15.5179","0.0006","73.732","0.003","84.917","0.003","87.568","0.003","1555.32","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 Br O7 -","- C33 H45 Br O7 -","- C66 H90 Br2 O14 -","2","1","","Iaroshenko, Viktor O.; Bunescu, Alina; Spannenberg, Anke; Supe, Linda; Milyutina, Maria; Langer, Peter","3-Methoxalylchromones - versatile reagents for the regioselective synthesis of functionalized 2,4'-dihydroxybenzophenones, potential UV-filters.","Organic & biomolecular chemistry","2011","9","21","7554","7558","10.1039/c1ob05931a","","","0.71073","MoKα","","0.058","0.0343","","","0.0633","0.0669","","","","","","0.874","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152045","8.023","","15.891","","22.67","","90","","97.96","","90","","2862.43","","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C144 H104 F8 N16 O8 -","8","1","","Huang, Aiping; Liu, Feng; Zhan, Chunjing; Liu, Yanli; Ma, Chen","One-pot synthesis of pyrrolo[1,2-a]quinoxalines.","Organic & biomolecular chemistry","2011","9","21","7351","7357","10.1039/c1ob05936j","","","0.71073","MoKα","","0.0772","0.0495","","","0.1248","0.1443","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152046","9.032","0.002","9.319","0.002","9.925","0.002","88.946","0.002","73.298","0.002","65.822","0.002","725.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C38 H32 N4 O2 -","2","1","","Huang, Aiping; Liu, Feng; Zhan, Chunjing; Liu, Yanli; Ma, Chen","One-pot synthesis of pyrrolo[1,2-a]quinoxalines.","Organic & biomolecular chemistry","2011","9","21","7351","7357","10.1039/c1ob05936j","","","0.71073","MoKα","","0.0787","0.0563","","","0.1758","0.2001","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152047","7.5097","0.0005","14.8345","0.001","27.016","0.002","90","","90","","90","","3009.7","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-((E)-3-(4-nitrophenyl)allylidene)- 3,4-dihydronaphthalen-2(1H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C152 H120 N8 O24 -","8","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0633","0.0412","","","0.0956","0.1065","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152048","5.935","0.0001","14.0588","0.0003","17.2947","0.0005","90","","90","","90","","1443.05","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-phenyl-5,6-dihydro-1H-benzo[f]chromen -3(2H)-one","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0745","0.0446","","","0.1014","0.1232","","","","","","1.155","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152049","8.096","0.001","8.215","0.001","18.205","0.002","84.374","0.006","81.515","0.005","79.197","0.005","1173.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu N6 O8 -","- C24 H22 Cu N6 O8 -","- C48 H44 Cu2 N12 O16 -","2","1","","Roy, Basab; Rao, Alla Sreenivasa; Ahn, Kyo Han","Mononuclear Zn(ii)- and Cu(ii)-complexes of a hydroxynaphthalene-derived dipicolylamine: fluorescent sensing behaviours toward pyrophosphate ions.","Organic & biomolecular chemistry","2011","9","22","7774","7779","10.1039/c1ob05999h","","","0.71073","MoKα","","0.0429","0.0332","","","0.0825","0.0862","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152050","10.6578","0.0002","32.0622","0.0006","12.1186","0.0003","90","","100.604","0.001","90","","4070.36","0.15","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 B Cl2 F6 N6 O2 -","- C41 H41 B Cl2 F6 N6 O2 -","- C164 H164 B4 Cl8 F24 N24 O8 -","4","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.082","0.0526","","","0.1367","0.1581","","","","","","1.038","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7152051","17.3524","0.0003","11.5299","0.0002","18.2276","0.0003","90","","112.482","0.001","90","","3369.66","0.1","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 B Cl F6 N4 O0.5 -","- C34 H34 B Cl F6 N4 O0.5 -","- C136 H136 B4 Cl4 F24 N16 O2 -","4","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.0914","0.0683","","","0.1917","0.2135","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152052","21.3858","0.0004","11.0501","0.0002","30.9188","0.0007","90","","108.77","0.001","90","","6918","0.2","100","2","100","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H36 B Cl F6 N4 O2.5 -","- C34.5 H36 B Cl F6 N4 O2.5 -","- C276 H288 B8 Cl8 F48 N32 O20 -","8","1","","Maether, Marie-Pierre; Bernat, Virginie; Maturano, Marie; André-Barrès, Christiane; Ladeira, Sonia; Valentin, Alexis; Vial, Henri; Payrastre, Corinne","Synthesis and antiplasmodial activity of streptocyanine/peroxide and streptocyanine/4-aminoquinoline hybrid dyes.","Organic & biomolecular chemistry","2011","9","21","7400","7410","10.1039/c1ob06048a","","x-ray","0.71073","MoKα","","0.1021","0.0532","","","0.1132","0.1333","","","","","","1.014","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7152053","21.528","0.01","8.433","0.004","17.211","0.008","90","","94.65","0.016","90","","3114","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1'-cyclopropyl-4-methyl-1H,1'H-spiro[pyridine-2,2'- pyrido[2,3-d]pyrimidine]-3,4',6(3'H)-trione","","- C16.5 H17 N4 O3.5 -","- C16.5 H17 N4 O3.5 -","- C132 H136 N32 O28 -","8","1","","Antunes, Alexandra M. M.; Novais, David A.; Ferreira da Silva, J. L.; Santos, Pedro P.; Conceição Oliveira, M; Beland, Frederick A.; Matilde Marques, M.","Synthesis and oxidation of 2-hydroxynevirapine, a metabolite of the HIV reverse transcriptase inhibitor nevirapine.","Organic & biomolecular chemistry","2011","9","22","7822","7835","10.1039/c1ob06052j","","","0.71073","MoKα","","0.1389","0.0591","","","0.1096","0.1384","","","","","","0.954","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152054","11.398","0.005","12.638","0.005","20.547","0.011","107.151","0.012","96.768","0.012","103.674","0.008","2691","2","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C39 H26 -","- C39 H26 -","- C156 H104 -","4","2","","Wang, Xiang-Chuan; Hu, Jie; Sun, Peng-Shuai; Zhong, Mei-Jin; Ali, Shaukat; Liang, Yong-Min","Copper-catalyzed dimerization fragmentation cyclization reactions of (E)-1-en-4-yn-3-ols as a versatile approach for the synthesis of multisubstituted 1H-cyclopenta[b]naphthalenes.","Organic & biomolecular chemistry","2011","9","21","7461","7467","10.1039/c1ob06087b","","","0.71073","MoKα","","0.1886","0.1369","","","0.3978","0.4315","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152055","8.1131","0.0017","10.109","0.002","25.357","0.006","90","","90","","90","","2079.7","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 N2 O5 -","- C20 H32 N2 O5 -","- C80 H128 N8 O20 -","4","1","","Aitken, David J.; Drouin, Ludovic; Goretta, Sarah; Guillot, Régis; Ollivier, Jean; Spiga, Marco","Stereoselective preparation of β,γ-methano-GABA derivatives.","Organic & biomolecular chemistry","2011","9","21","7517","7524","10.1039/c1ob06095c","","x-ray","0.71073","MoKα","","0.0758","0.0532","","","0.1137","0.1231","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152056","7.9874","0.0003","11.8978","0.0005","12.6662","0.0006","70.213","0.002","73.984","0.002","81.497","0.002","1086.69","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","Dupeyre, Grégory; Lemoine, Pascale; Ainseba, Nabila; Michel, Sylvie; Cachet, Xavier","A one-pot synthesis of 7-phenylindolo[3,2-a]carbazoles from indoles and β-nitrostyrenes, via an unprecedented reaction sequence.","Organic & biomolecular chemistry","2011","9","22","7780","7790","10.1039/c1ob06108a","","","0.71073","MoKα","","0.0905","0.0545","","","0.1266","0.1519","","","","","","0.959","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152057","11.6427","0.0003","11.6427","0.0003","24.4087","0.0011","90","","90","","90","","3308.66","0.19","123","2","123","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","10200","","","- C16 H19 Br O5 -","- C16 H19 Br O5 -","- C128 H152 Br8 O40 -","8","1","","Tello-Aburto, Rodolfo; Kalstabakken, Kyle A.; Volp, Kelly A.; Harned, Andrew M.","Regioselective and stereoselective cyclizations of cyclohexadienones tethered to active methylene groups.","Organic & biomolecular chemistry","2011","9","22","7849","7859","10.1039/c1ob06125a","","","0.71073","MoKα","","0.0288","0.0271","","","0.0741","0.0754","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152058","10.5256","0.0002","12.1392","0.0002","20.3601","0.0003","90","","90","","90","","2601.46","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br N2 O8 -","- C25 H31 Br N2 O8 -","- C100 H124 Br4 N8 O32 -","4","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0296","0.0295","","","0.079","0.0791","","","","","","1.111","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152059","7.6547","0.0009","10.415","0.0009","13.3157","0.0014","90","","90.1","","90","","1061.58","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 Br N2 O6 -","- C22 H25 Br N2 O6 -","- C44 H50 Br2 N4 O12 -","2","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0753","0.0729","","","0.1686","0.1709","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152060","7.1487","0.0008","13.2022","0.0014","28.639","0.003","90","","90","","90","","2702.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C112 H152 O32 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0785","0.0415","","","0.0847","0.0941","","","","","","0.857","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152061","10.208","0.0008","15.3825","0.0012","17.7371","0.0014","90","","90","","90","","2785.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0679","0.0574","","","0.1384","0.145","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152062","10.3331","0.0003","10.8017","0.0003","18.4984","0.0005","90","0","102.951","0.045","90","0","2012.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Karabuga, Semistan; Cakici, Murat; Kazaz, Cavit; Sahin, Ertan; Kilic, Hamdullah; Ulukanli, Sabri","Synthesis of chiral sulfoximines derived from 3-aminoquinazolinones and their catalysis of enantioselective diethylzinc addition to aldehydes.","Organic & biomolecular chemistry","2011","9","22","7887","7896","10.1039/c1ob06205k","","","0.71073","MoKα","","0.084","0.0519","","","0.123","0.1461","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152063","9.1743","0.0003","9.9834","0.0004","13.0708","0.0004","79.253","0.003","76.645","0.003","86.29","0.003","1144.07","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25.2 N O4.1 S2 -","- C25 H25 N O4.1 S2 -","- C50 H50 N2 O8.2 S4 -","2","1","","Camp, Jason E.; Craig, Donald; Funai, Kiyohiko; White, Andrew J. P.","Decarboxylative Claisen rearrangement reactions: synthesis and reactivity of alkylidene-substituted indolines.","Organic & biomolecular chemistry","2011","9","22","7904","7912","10.1039/c1ob06212c","","","0.71073","MoKα","","0.0569","0.0392","","","0.0991","0.1024","","","","","","0.988","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152064","23.93","0.003","9.1192","0.0004","17.171","0.002","90","","134.52","0.02","90","","2671.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C16 H12 Br N O2 -","- C16 H12 Br N O2 -","- C128 H96 Br8 N8 O16 -","8","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.053107","0.039394","","","","0.065956","","","","","","1.02533","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152065","7.9048","0.0008","7.9136","0.0011","10.4368","0.0015","78.413","0.013","87.471","0.01","76.97","0.01","623.11","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.1041","0.063","","","0.1558","0.1769","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152066","11.3081","0.0006","6.5772","0.0004","20.0573","0.0013","90","","90","","90","","1491.77","0.15","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","12b-Hydroxy-1,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.0711","0.0337","","","0.0569","0.062","","","","","","0.792","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152067","10.155","0.0002","19.4043","0.0005","9.8299","0.0003","90","","95.344","0.002","90","","1928.57","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O6 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj","Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.","Organic & biomolecular chemistry","2011","9","22","7643","7646","10.1039/c1ob06349a","","","0.71073","MoKα","","0.0597","0.0419","","","0.0999","0.1099","","","","","","1.005","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152068","11.7004","0.0012","15.9776","0.0013","7.1602","0.0006","90","","107.25","0.005","90","","1278.4","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0717","0.0441","","","0.1017","0.1172","","","","","","1.035","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152069","14.4432","0.0008","14.602","0.0008","14.6895","0.0008","64.035","0.001","76.977","0.001","61.12","","2438.5","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 F3 N7 O7.5 S -","- C19 H23 F3 N7 O7.5 S -","- C76 H92 F12 N28 O30 S4 -","4","2","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0663","0.0569","","","0.1408","0.1494","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7152070","11.3994","0.0002","17.3955","0.0004","25.7476","0.0005","90","","102.612","0.001","90","","4982.51","0.17","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H44 N18 O13 -","- C48 H44 N18 O13 -","- C192 H176 N72 O52 -","4","1","","Zhao, Weiwen; Wang, Ruiyao; Petitjean, Anne","Z-Formamidoximes in molecular folding and macrocycles.","Organic & biomolecular chemistry","2011","9","22","7647","7651","10.1039/c1ob06378b","","","0.71073","MoKα","","0.0742","0.0443","","","0.0898","0.1042","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152071","11.863","0.004","9.081","0.003","10.47","0.004","90","","92.446","0.006","90","","1126.9","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Patel, Pitambar; Ramana, Chepuri V.","Divergent Pd(ii) and Au(iii) mediated nitroalkynol cycloisomerizations.","Organic & biomolecular chemistry","2011","9","21","7327","7334","10.1039/c0ob00858c","","","0.71073","MoKα","","0.0532","0.0459","","","0.114","0.1194","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152072","5.075","0.002","10.398","0.004","24.245","0.01","90","","96.01","","90","","1272.4","0.9","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Patel, Pitambar; Ramana, Chepuri V.","Divergent Pd(ii) and Au(iii) mediated nitroalkynol cycloisomerizations.","Organic & biomolecular chemistry","2011","9","21","7327","7334","10.1039/c0ob00858c","","","0.71073","MoKα","","0.1332","0.0742","","","0.1322","0.1552","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152073","5.122","0.003","10.084","0.006","16.501","0.01","90","","96.062","0.013","90","","847.5","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Boc-Ala-CuM","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","x-ray","0.71073","MoKα","","0.0642","0.0481","","","0.1216","0.1331","","","","","","1.028","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152074","16.779","0.003","10.0638","0.0017","11.0022","0.0019","90","","103.905","0.004","90","","1803.4","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","A facile transformation of amino acids to functionalized coumarins.","Organic & biomolecular chemistry","2011","9","23","8089","8095","10.1039/c1ob05815k","","","0.71073","MoKα","","0.0409","0.0355","","","0.0896","0.0936","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152075","8.044","0.0002","18.8305","0.0008","11.1262","0.0004","90","","101.736","0.002","90","","1650.08","0.1","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.1081","0.0583","","","0.1378","0.1634","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152076","7.6826","0.0002","12.2144","0.0004","15.2964","0.0004","90","","90","","90","","1435.39","0.07","120","2","120","2","","","","","","","Pedro Cintas","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0366","0.0333","","","0.08","0.0819","","","","","","1.189","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152077","8.4367","0.0003","7.7374","0.0003","11.1697","0.0005","90","","90.964","0.003","90","","729.03","0.05","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0739","0.0538","","","0.1057","0.1174","","","","","","1.206","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152078","8.5131","0.0002","12.4731","0.0004","15.8417","0.0005","90","","103.012","0.002","90","","1638.95","0.08","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","NAFTBU","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0939","0.0571","","","0.1401","0.1604","","","","","","1.054","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152079","17.7484","0.0004","15.5301","0.0004","26.3541","0.0007","90","","106.562","0.001","90","","6962.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 N6 O8 S4 -","- C62 H98 N6 O8 S4 -","- C248 H392 N24 O32 S16 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0882","0.0741","","","0.2275","0.2455","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152080","25.4032","0.0011","25.5614","0.0011","23.8466","0.0008","90","","93.307","0.003","90","","15458.8","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 F12 N3 O4 S2 -","- C36 H31 F12 N3 O4 S2 -","- C576 H496 F192 N48 O64 S32 -","16","2","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.1601","0.1261","","","0.3797","0.4047","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152081","18.6703","0.0005","10.3143","0.0003","25.8835","0.0006","90","","90","","90","","4984.4","0.2","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Cl F12 N4 O4 S2 -","- C44 H51 Cl F12 N4 O4 S2 -","- C176 H204 Cl4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0922","0.0739","","","0.2217","0.2581","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152082","18.7203","0.0005","10.3816","0.0003","25.9329","0.0006","90","","90","","90","","5040","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 Br F12 N4 O4 S2 -","- C44 H51 Br F12 N4 O4 S2 -","- C176 H204 Br4 F48 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0615","0.0527","","","0.1505","0.1623","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152083","18.8303","0.0005","10.4962","0.0003","26.058","0.0007","90","","90","","90","","5150.3","0.2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H51 F12 I N4 O4 S2 -","- C44 H51 F12 I N4 O4 S2 -","- C176 H204 F48 I4 N16 O16 S8 -","4","1","","Fuentes de Arriba, Angel L.; Turiel, María G; Simón, Luis; Sanz, Francisca; Boyero, Juan F.; Muñiz, Francisco M; Morán, Joaquín R; Alcázar, Victoria","Sulfonamide carbazole receptors for anion recognition.","Organic & biomolecular chemistry","2011","9","24","8321","8327","10.1039/c1ob06126g","","","1.54178","CuKα","","0.0556","0.044","","","0.1169","0.1272","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152084","7.5836","0.0005","16.6354","0.0015","16.7866","0.001","90","","97.485","0.008","90","","2099.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 N2 O -","- C24 H15 Cl3 N2 O -","- C96 H60 Cl12 N8 O4 -","4","1","","Grotkopp, Oliver; Ahmad, Atia; Frank, Walter; Müller, Thomas J J","Blue-luminescent 5-(3-indolyl)oxazoles via microwave-assisted three-component coupling-cycloisomerization-Fischer indole synthesis.","Organic & biomolecular chemistry","2011","9","23","8130","8140","10.1039/c1ob06153d","","","0.71073","MoKα","","0.1556","0.0387","","","0.0501","0.0623","","","","","","0.936","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152085","8.751","0.003","10.6327","0.0017","21.676","0.006","90","","100.49","0.03","90","","1983.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-{4-[1-(pyridin-2-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl} -3-[4-(trifluoromethyl)phenyl]urea","","- C22 H17 F3 N6 O -","- C22 H17 F3 N6 O -","- C88 H68 F12 N24 O4 -","4","1","","Bergamaschi, Greta; Boiocchi, Massimo; Monzani, Enrico; Amendola, Valeria","Pyridinium/urea-based anion receptor: methine formation in the presence of basic anions.","Organic & biomolecular chemistry","2011","9","24","8276","8283","10.1039/c1ob06193c","","","0.71073","MoKα","","0.0992","0.0737","","","0.1688","0.1916","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152086","4.9152","0.0002","9.6665","0.0004","50.7258","0.0018","90","","90","","90","","2410.12","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C100 H180 N4 O12 -","4","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0977","0.0509","","","0.0903","0.1049","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152087","10.2997","0.0005","4.987","0.0003","24.6551","0.0013","90","","92.668","0.004","90","","1265.03","0.12","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C50 H90 N2 O6 -","2","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0831","0.0545","","","0.1405","0.1557","","","","","","1.071","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7152088","9.978","0.003","10.704","0.003","17.817","0.006","74.1","0.02","81.31","0.02","81.28","0.02","1796.9","1","150","1","150","1","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C38 H28 Cl4 N4 O10 -","- C38 H28 Cl4 N4 O10 -","- C76 H56 Cl8 N8 O20 -","2","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1485","0.0713","","","0.1169","0.1354","","","","","","1.015","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7152089","10.019","0.002","16.372","0.003","49.573","0.009","90","","90","","90","","8132","3","150","1","150","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Cl4 N4 O10 -","- C42 H36 Cl4 N4 O10 -","- C336 H288 Cl32 N32 O80 -","8","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1297","0.0642","","","0.1241","0.1387","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152090","6.3355","0.0006","7.439","0.0008","26.291","0.002","90","","90","","90","","1239.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-[(R)-1-hydroxy-3-phenylpropyl]piperidine","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","","Gálvez, José A; Díaz de Villegas, María D; Badorrey, Ramón; López-Ram-de-Víu, Pilar","Switch in regioselectivity of epoxide ring-opening by changing the organometallic reagent.","Organic & biomolecular chemistry","2011","9","23","8155","8162","10.1039/c1ob06216f","","","0.71073","MoKα","","0.0944","0.052","","","0.0762","0.0836","","","","","","0.894","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152091","9.8157","0.0004","15.5367","0.0005","14.1068","0.0007","90","","98.289","0.004","90","","2128.86","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O4 Si -","- C19 H27 N O4 Si -","- C76 H108 N4 O16 Si4 -","4","1","","More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio","Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.","Organic & biomolecular chemistry","2011","9","24","8483","8488","10.1039/c1ob06229h","","","0.71073","MoKα","","0.1271","0.0647","","","0.1751","0.2241","","","","","","0.978","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152092","6.155","0.005","9.28","0.005","14.021","0.005","80.62","0.005","86.561","0.005","70.941","0.005","746.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C7.5 H8.5 O2 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","More, Vijaykumar; Di Mola, Antonia; Croce, Gianluca; Tedesco, Consiglia; Petronzi, Carmen; Peduto, Antonella; De Caprariis, Paolo; Filosa, Rosanna; Massa, Antonio","Multi-component, regio-selective aldol addition of β-ketoesters to aldehydes: scope and applications.","Organic & biomolecular chemistry","2011","9","24","8483","8488","10.1039/c1ob06229h","","","0.71073","MoKα","","0.3505","0.1109","","","0.1906","0.3031","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152093","9.1149","0.0011","6.9784","0.0008","14.9231","0.0015","90","","98.171","0.007","90","","939.58","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rac-7-hydroxy-2-oxaspiro(5.5)undec-8-en-1-one","rac-7-hydroxy-2-oxaspiro[5.5]undec-8-en-1-one","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Duroure, Leslie; Jousseaume, Thierry; Aráoz, Rómulo; Barré, Elvina; Retailleau, Pascal; Chabaud, Laurent; Molgó, Jordi; Guillou, Catherine","6,6-Spiroimine analogs of (-)-gymnodimine A: synthesis and biological evaluation on nicotinic acetylcholine receptors.","Organic & biomolecular chemistry","2011","9","23","8112","8118","10.1039/c1ob06257c","","","1.54187","CuKα","","0.0682","0.0524","","","0.1617","0.1804","","","","","","1.091","","","","has coordinates,has disorder","301861","2025-08-22","11:11:52",""
"7152094","5.919","0.003","14.531","0.005","25.735","0.011","90","","90","","90","","2213.4","1.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O6 S2 -","- C24 H22 O6 S2 -","- C96 H88 O24 S8 -","4","1","","Companyó, Xavier; Valero, Guillem; Ceban, Victor; Calvet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic asymmetric allylic alkylation. Bis(phenylsulfonyl)methane addition to MBH carbonates.","Organic & biomolecular chemistry","2011","9","23","7986","7989","10.1039/c1ob06308a","","","0.71073","MoKα","","0.0965","0.0779","","","0.1815","0.2035","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152095","7.1296","0.0002","9.0495","0.0004","27.5442","0.001","90","","90","","90","","1777.13","0.11","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","1.5418","CuKα","","0.0365","0.036","","","0.0956","0.0961","","","","","","1.058","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152096","18.1428","0.0008","8.3337","0.0005","11.7816","0.0009","90","","94.391","0.006","90","","1776.11","0.19","130","","130","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","0.7107","MoKα","","0.0438","0.0374","","","0.0861","0.0906","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152097","10.2837","0.0002","16.8731","0.0003","12.5611","0.0002","90","","109.192","0.001","90","","2058.44","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H52 N6 O6 -","- C44 H52 N6 O6 -","- C88 H104 N12 O12 -","2","1","","Oh, Joong-Suk; Kim, Kyung Il; Song, Choong Eui","Enantioselective synthesis of α-deuterium labelled chiral α-amino acids via dynamic kinetic resolution of racemic azlactones.","Organic & biomolecular chemistry","2011","9","23","7983","7985","10.1039/c1ob06319g","","","0.71073","MoKα","","0.0721","0.0432","","","0.0963","0.106","","","","","","0.935","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152098","9.3525","0.0004","10.0265","0.0005","10.842","0.0005","113.426","0.002","96.914","0.002","97.59","0.002","907.85","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","pyrazolobenzoxazine","","","- C20 H17 N3 O5 -","- C20 H17 N3 O5 -","- C40 H34 N6 O10 -","2","1","","Brahma, Kaushik; Sasmal, Anup Kumar; Chowdhury, Chinmay","An efficient strategy for the general synthesis of 3-aryl substituted pyrazolo[5,1-c][1,4]benzoxazines and pyrazolo[1,5-a][1,4]benzodiazepin-6(4H)-ones.","Organic & biomolecular chemistry","2011","9","24","8422","8429","10.1039/c1ob06353g","","","0.71073","MoKα","","0.054","0.0477","","","0.1255","0.1369","","","","","","0.674","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152099","5.4376","0.0007","9.7637","0.0012","22.815","0.003","90","","90","","90","","1211.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 I O -","- C13 H13 I O -","- C52 H52 I4 O4 -","4","1","","Duce, Sara; Jorge, María; Alonso, Inés; Ruano, José Luis García; Cid, M Belén","An organocatalytic approach to enantiomerically enriched α-arylcyclohexenones and cyclohexanones.","Organic & biomolecular chemistry","2011","9","24","8253","8260","10.1039/c1ob06356a","","","0.71073","MoKα","","0.0393","0.0291","","","0.0586","0.064","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:11:52",""
"7152100","11.207","0.002","12.542","0.003","15.394","0.003","70.9","0.03","85.07","0.03","89.15","0.03","2036.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N4 O2 S4 -","- C38 H54 N4 O2 S4 -","- C76 H108 N8 O4 S8 -","2","1","","Chen, Cheng; Dong, Haijun; Chen, Yaqing; Guo, Liangqia; Wang, Zhenyu; Sun, Jian-Jun; Fu, Nanyan","Dual-mode unsymmetrical squaraine-based sensor for selective detection of Hg(2+) in aqueous media.","Organic & biomolecular chemistry","2011","9","23","8195","8201","10.1039/c1ob06519j","","","0.71073","MoKα","","0.186","0.1262","","","0.2922","0.3362","","","","","","1.158","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153081","14.5489","0.0017","31.423","0.009","11.609","0.0013","90","","118.413","0.008","90","","4668","1.6","298.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 O8 -","- C54 H56 O8 -","- C216 H224 O32 -","4","0.5","","Ito, Yosuke; Tomiyasu, Yuichi; Kawanabe, Takahiro; Uemura, Keisuke; Ushimizu, Yuu; Nishino, Hiroshi","One-pot synthesis of cyclophane-type macrocycles using manganese(III)-mediated oxidative radical cyclization.","Organic & biomolecular chemistry","2011","9","5","1491","1507","10.1039/c0ob00683a","","","0.71069","MoKα","","","0.0878","","","","0.1042","","","","","","4.749","","","","has coordinates","295965","2024-11-17","17:32:34",""
"7153082","8.046","0.001","14.28","0.002","22.646","0.003","90","","90","","90","","2602","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0854","0.0418","","","0.0939","0.1034","","","","","","0.807","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153083","10.276","0.002","5.799","0.003","20.259","0.005","90","","103.07","0.02","90","","1176","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.1226","0.0734","","0.1465","0.117","","","","1.253","1.213","1.213","","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153084","11.351","0.002","9.7612","0.001","19.942","0.003","90","","91.07","0.02","90","","2209.2","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","2","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0936","0.0494","","0.141","0.1","","","","1.006","1.059","1.059","","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153803","5.2851","0.0001","15.1376","0.0004","8.295","0.0002","90","","94.61","0.001","90","","661.48","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Clark, J. Stephen; Labre, Flavien; Thomas, Lynne H.","Concise synthesis of the C-1-C-12 fragment of amphidinolides T1-T5.","Organic & biomolecular chemistry","2011","9","13","4823","4830","10.1039/c1ob05130j","","","0.71073","MoKα","","0.0577","0.0392","","","","0.0866","","","","","","0.939","","","","has coordinates,has disorder","301861","2025-08-22","11:12:09",""
"7202470","20.45","0.004","7.329","0.002","10.31","0.003","90","","99.28","0.02","90","","1525","0.7","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H52 N6 O16 P4 -","- C18 H52 N6 O16 P4 -","- C36 H104 N12 O32 P8 -","2","0.5","","Shastri, Kirtida; Cheng, Eileen W. C.; Motevalli, Majid; Schofield, John; Wilkinson, Jennifer S.; Watkinson, Michael","Investigations into the efficacy of methyhlphosphonic acid functionalised 1,4,7-triazacyclononane ligands in bleaching catalysis","Green Chemistry","2007","9","9","996","","10.1039/b609710c","","","0.71073","MoKα","","0.0928","0.0402","","","0.0944","0.1099","","","","","","1.016","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202471","7.603","0.0007","9.1105","0.0009","13.0353","0.0015","89.455","0.004","75.731","0.004","86.145","0.006","873.06","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H28 Br2 N3 O5 P -","- C9 H28 Br2 N3 O5 P -","- C18 H56 Br4 N6 O10 P2 -","2","1","","Shastri, Kirtida; Cheng, Eileen W. C.; Motevalli, Majid; Schofield, John; Wilkinson, Jennifer S.; Watkinson, Michael","Investigations into the efficacy of methyhlphosphonic acid functionalised 1,4,7-triazacyclononane ligands in bleaching catalysis","Green Chemistry","2007","9","9","996","","10.1039/b609710c","","","0.71073","MoKα","","0.157","0.1243","","","0.3384","0.3619","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202474","6.43","0.004","6.715","0.004","11.544","0.007","87.486","0.012","80.11","0.012","80.82","0.01","484.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2-carboxy-1,3-dimethylimidazolium NO3 H2O","","","- C6 H11 N3 O6 -","- C6 H11 N3 O6 -","- C12 H22 N6 O12 -","2","1","","Smiglak, Marcin; Holbrey, John D.; Griffin, Scott T.; Reichert, W. Matthew; Swatloski, Richard P.; Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Rogers, Robin D.","Ionic liquids via reaction of the zwitterionic 1,3-dimethylimidazolium-2-carboxylate with protic acids. Overcoming synthetic limitations and establishing new halide free protocols for the formation of ILs","Green Chemistry","2007","9","1","90","","10.1039/b610421e","","","0.71073","MoKα","","0.0928","0.0539","","","0.1394","0.1792","","","","","","1.152","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202475","6.628","0.002","11.91","0.004","11.538","0.004","90","","104.508","0.007","90","","881.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-carboxy-1,3-dimethylimidazolium nitrate","","","- C6 H9 N3 O5 -","- C6 H9 N3 O5 -","- C24 H36 N12 O20 -","4","1","","Smiglak, Marcin; Holbrey, John D.; Griffin, Scott T.; Reichert, W. Matthew; Swatloski, Richard P.; Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Rogers, Robin D.","Ionic liquids via reaction of the zwitterionic 1,3-dimethylimidazolium-2-carboxylate with protic acids. Overcoming synthetic limitations and establishing new halide free protocols for the formation of ILs","Green Chemistry","2007","9","1","90","","10.1039/b610421e","","","0.71073","MoKα","","0.0625","0.0448","","","0.1004","0.1067","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202476","27.5164","0.0019","27.5164","0.0019","14.685","0.002","90","","90","","120","","9629.1","1.6","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 N12 O18 -","- C60.03 H96 N12 O18 -","- C360.18 H576 N72 O108 -","6","0.166667","","Lee, Ho Yong; Kim, Hae-Jo; Lee, Kyoung Jae; Lah, Myoung Soo; Hong, Jong-In","Formation of a discrete helical assembly and packing pattern through charged hydrogen bonds and van der Waals interactions","CrystEngComm","2007","9","1","78","","10.1039/b610512b","","","0.71073","MoKα","","0.1472","0.0729","","","0.2045","0.2573","","","","","","1.016","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202477","17.365","0.0017","9.9287","0.001","20.981","0.002","90","","113.4","0.002","90","","3319.9","0.6","297","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-phenyl-4-p-toluoyl-3H-benzo-[b]-1,5-diazepine-4- (4-methyl phenyl-3H-benzo-[b]-1,5-diazepine","","- C22 H18 N2 -","- C22 H18 N2 -","- C176 H144 N16 -","8","2","","Palimkar, Sanjay S.; Lahoti, Rajgopal J.; Srinivasan, Kumar V.","A novel one-pot three-component synthesis of 2,4-disubstituted-3 H-benzo[ b][1,4]diazepines in water","Green Chemistry","2007","9","2","146","","10.1039/b610523h","","","0.71073","MoKα","","0.1434","0.0771","","","0.172","0.2059","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202510","25.531","0.005","25.531","0.005","14.907","0.005","90","0.005","90","0.005","120","0.005","8415","4","193","2","193","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C100 H126 N4 Ni2 O9 -","- C100 H126 N4 Ni2 O9 -","- C300 H378 N12 Ni6 O27 -","3","0.5","","Chen, Zhen-Feng; Zhang, Shu-Feng; Luo, Hai-Sheng; Abrahams, Brendan F.; Liang, Hong","Ni2(R*COO)4(H2O)(4,4?-bipy)2?a robust homochiral quartz-like network with large chiral channels","CrystEngComm","2007","9","1","27","","10.1039/b613047j","","","0.71073","MoKα","","0.0912","0.0769","","","0.1818","0.1892","","","","","","1.165","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202511","3.8017","0.0015","6.6115","0.0032","14.485","0.006","100.68","0.08","94.4","0.06","102.11","0.05","347.3","0.3","","","","","","","","","","","Industrial, different phase than CCDC QNACRD03","4","P -1","-P 1","2","5,12-dihydro-quino(2,3-b)acridine-7,14-dione","5,12-dihydro-quino[2,3-b]acridine-7,14-dione","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","1","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","powder diffraction","","","","","","","","","","","","","4.18","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202512","5.692","0.001","3.975","0.001","30.02","0.04","90","","96.76","0.06","90","","674.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-quinacridone (Pigment Violet 19, beta phase)","7,14-dioxo-5,7,12,14-tetrahydro-chinolino-[2,3-b]-acridin","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","","","0.7107","MoKα","","0.1997","0.0898","","","0.2057","0.2728","","","","","","0.908","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202513","13.697","0.009","3.881","0.003","13.402","0.001","90","","100.44","0.01","90","","700.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gamma-quinacridone (Pigment Violet 19, gamma phase)","7,14-dioxo-5,7,12,14-tetrahydro-chinolino-[2,3-b]-acridin","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","","","0.7107","MoKα","","0.2742","0.209","","","0.425","0.4555","","","","","","1.289","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202516","9.4031","0.0005","9.3855","0.0005","11.006","0.0006","78.01","0.003","84.307","0.003","82.744","0.003","939.84","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Iván Kanizsai; Szilvia Gyónfalvi; Zsolt Szakonyi; Reijo Sillanpää; Ferenc Fülöp","Synthesis of bi- and tricyclic ?-lactam libraries in aqueous medium","Green Chemistry","2007","9","4","357","","10.1039/b613117d","","x-ray","0.71073","MoKα","","0.1134","0.0655","","","0.111","0.1304","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202517","9.565","0.009","9.897","0.004","13.201","0.004","99.77","0.03","94.17","0.04","115.74","0.07","1094.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Fe N3 O2 -","- C27 H23 Fe N3 O2 -","- C54 H46 Fe2 N6 O4 -","2","1","","Braga, Dario; Giaffreda, Stefano Luca; Rubini, Katia; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto","Making crystals from crystals: three solvent-free routes to the hydrogen bonded co-crystal between 1,1?-di-pyridyl-ferrocene and anthranilic acid","CrystEngComm","2007","9","1","39","","10.1039/b613569b","","","0.71073","MoKα","","0.1127","0.0843","","","0.2221","0.2491","","","","","","1.027","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202518","10.902","0.002","20.356","0.005","17.467","0.004","90","","90.41","0.003","90","","3876.2","1.5","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 5","","","- C41 H32 Ag2 N6 O11 -","- C41 H32 Ag2 N6 O11 -","- C164 H128 Ag8 N24 O44 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0866","0.0627","","","0.1227","0.1347","","","","","","1.049","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202519","8.93","0.002","17.71","0.003","11.524","0.002","90","","97.52","0.02","90","","1806.8","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 7","","","- C20 H14 Ag N3 O5 -","- C20 H14 Ag N3 O5 -","- C80 H56 Ag4 N12 O20 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0827","0.0413","","","0.0804","0.0873","","","","","","0.828","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202520","7.9","0.003","14.352","0.005","19.379","0.007","73.447","0.005","84.509","0.004","78.025","0.004","2058.7","1.3","168","2","168","2","","","","","","","","5","P -1","-P 1","2","Complex 9","","","- C41.5 H36 Ag2 N6 O12.5 -","- C41.5 H36 Ag2 N6 O12.5 -","- C83 H72 Ag4 N12 O25 -","2","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.1273","0.0835","","","0.1867","0.2074","","","","","","1.095","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202521","17.6095","0.0004","18.6243","0.0004","5.4636","0.0001","90","","90","","90","","1791.87","0.06","148","2","148","2","","","","","","","","5","P n a 21","P 2c -2n","33","Complex 10","","","- C20 H14 Ag N3 O5 -","- C20 H14 Ag N3 O5 -","- C80 H56 Ag4 N12 O20 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0338","0.0278","","","0.0673","0.0696","","","","","","1.072","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202522","10.239","0.003","12.349","0.003","13.888","0.003","96.859","0.004","93.214","0.004","99.553","0.004","1714.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 Cl3 N3 O4 -","- C37 H34 Cl3 N3 O4 -","- C74 H68 Cl6 N6 O8 -","2","1","","Chawla, Har Mohindra; Hundal, Geeta; Singh, Suneel Pratap; Upreti, Shailesh","Conformational morphosis in azocalix[4]arenes","CrystEngComm","2007","9","2","119","","10.1039/b613841a","","","0.71073","MoKα","","0.0807","0.0647","","","0.1737","0.1859","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202523","10.142","0.006","11.04","0.007","16.001","0.01","96.551","0.01","106.222","0.01","104.465","0.01","1632.8","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","5-(pyridylazo)-trimethoxycalix(4)arene","","","- C37 H34 Cl3 N3 O4 -","- C37 H34 Cl3 N3 O4 -","- C74 H68 Cl6 N6 O8 -","2","1","","Chawla, Har Mohindra; Hundal, Geeta; Singh, Suneel Pratap; Upreti, Shailesh","Conformational morphosis in azocalix[4]arenes","CrystEngComm","2007","9","2","119","","10.1039/b613841a","","","0.71073","MoKα","","0.1147","0.091","","","0.2331","0.2529","","","","","","1.07","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202525","6.663","0.002","9.045","0.003","10.707","0.003","72.385","0.005","81.655","0.005","69.238","0.005","574.6","0.3","296","2","296","2","","","","","","","see text","3","P -1","-P 1","2","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol monohydrate","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol monohydrate","","- C10 H20 O7 -","- C10 H20 O7 -","- C20 H40 O14 -","2","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Additive induced polymorphous behavior of a conformationally locked hexol","CrystEngComm","2007","9","2","144","","10.1039/b613949c","","","0.71073","MoKa","","0.0439","0.0389","","","0.1034","0.1066","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202526","6.5273","0.0014","5.9589","0.0012","13.166","0.003","90","","90.163","0.003","90","","512.1","0.19","296","2","296","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Additive induced polymorphous behavior of a conformationally locked hexol","CrystEngComm","2007","9","2","144","","10.1039/b613949c","","","0.71073","MoKa","","0.0443","0.0358","","","0.0759","0.0796","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202544","10.8325","0.0006","15.4222","0.0006","15.6315","0.0007","109.225","0.003","105.122","0.003","105.674","0.003","2191.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","((GD(iii)(btp)(NO3)2(H2O)3(MeOH))2btp MeOH NO3) (btp=2,6- bis(N1-1,2,4-triazolyl)pyridine)","","","- C29 H35 Cl Gd N23 O15 -","- C29 H35 Cl Gd N23 O15 -","- C58 H70 Cl2 Gd2 N46 O30 -","2","1","","Youm, Kyoung-Tae; Woo, Hyun Kyung; Ko, Jaejung; Jun, Moo-Jin","Multiple-decked Gd(iii) complexes induced by hydrogen bonds depending on anions","CrystEngComm","2007","9","1","30","","10.1039/b614511f","","","0.71073","MoKα","","0.1073","0.061","","","0.1323","0.156","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202545","10.3789","0.0018","15.428","0.003","16.034","0.003","61.427","0.002","80.926","0.003","72.591","0.003","2151.2","0.7","233","2","233","2","","","","","","","","5","P -1","-P 1","2","((GD(iii)(btp)(NO3)2(H2O)4)2btp H2O MeOH NO3) (btp=2,6-bis(N1- 1,2,4-triazolyl)pyridine)","","","- C29 H33 Gd N24 O14 -","- C28 H33 Gd N24 O14.5 -","- C56 H66 Gd2 N48 O29 -","2","1","","Youm, Kyoung-Tae; Woo, Hyun Kyung; Ko, Jaejung; Jun, Moo-Jin","Multiple-decked Gd(iii) complexes induced by hydrogen bonds depending on anions","CrystEngComm","2007","9","1","30","","10.1039/b614511f","","","0.71073","MoKα","","0.0596","0.0461","","","0.0938","0.0993","","","","","","1.074","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202546","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0362","0.03","","","0.0895","0.0936","","","","","","1.041","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202547","9.646","0.001","9.901","0.001","10.148","0.001","70.539","0.001","74.132","0.001","80.887","0.001","876.57","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C28 H48 Cl4 N4 O4 -","2","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0308","0.0279","","","0.086","0.0882","","","","","","1.036","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202548","23.2912","0.0009","11.9028","0.0004","13.1852","0.0005","90","","105.417","0.003","90","","3523.8","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl3 N4 O6 -","- C28 H51 Cl3 N4 O6 -","- C112 H204 Cl12 N16 O24 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.1086","0.0381","","","0.0872","0.0936","","","","","","0.806","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202549","13.1816","0.0003","11.8826","0.0003","22.35","0.0005","90","","90","","90","","3500.72","0.14","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H38 Cl3 N4 O6 -","- C28 H38 Cl3 N4 O6 -","- C112 H152 Cl12 N16 O24 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0684","0.0615","","","0.1687","0.1746","","","","","","1.062","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202550","15.214","0.002","25.819","0.002","19.042","0.002","90","","95.003","0.002","90","","7451.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cd N10 S2 -","- C14 H12 Cd N10 S2 -","- C224 H192 Cd16 N160 S32 -","16","2","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.7107","MoKα","","0.0944","0.0596","","","0.1002","0.1124","","","","","","1.215","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202551","7.6958","0.0002","7.6958","0.0002","28.592","0.002","90","","90","","120","","1466.5","0.12","293","2","293","2","","","","","","","","5","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C14 H12 Cd N10 Se2 -","- C14 H12 Cd N10 Se2 -","- C42 H36 Cd3 N30 Se6 -","3","0.5","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.7107","MoKα","","0.0657","0.0648","","","0.1719","0.1734","","","","","","1.105","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202552","13.3982","0.0004","7.7207","0.0002","19.1997","0.0005","90","","90","","90","","1986.08","0.09","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cd N14 -","- C16 H12 Cd N14 -","- C64 H48 Cd4 N56 -","4","0.5","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.71073","MoKα","","0.0555","0.0544","","","0.146","0.147","","","","","","1.142","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202553","17.93","0.004","3.938","0.001","25.723","0.006","90","","90","","90","","1816.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","bis(N-(3-pyridyl)acetamide) fumaric acid","bis[N-(3-pyridyl)acetamide] fumaric acid","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.114","0.0861","","","0.2101","0.2264","","","","","","1.11","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202554","4.9718","0.001","7.0047","0.0011","15.101","0.002","77.032","0.01","89.414","0.012","82.324","0.012","507.8","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(N-((4-pyridyl)methyl)acetamide)2, fumaric acid","{N-[(4-pyridyl)methyl]acetamide}2, fumaric acid","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","1","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1513","0.0883","","","0.2423","0.292","","","","","","0.941","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202555","28.532","0.003","8.2965","0.0008","10.612","0.001","90","","101.987","0.002","90","","2457.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(4-pyridyl)acetamide, sebacic acid","N-(4-pyridyl)acetamide, sebacic acid","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.0661","0.0555","","","0.1544","0.16","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202556","4.7523","0.0007","24.295","0.003","10.0355","0.0012","90","","97.944","0.01","90","","1147.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(acetamidomethyl)pyridine, adipic acid","4-(acetamidomethyl)pyridine, adipic acid","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C44 H60 N8 O12 -","2","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.099","0.062","","","0.1318","0.1486","","","","","","0.965","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202557","34.784","0.006","57.476","0.012","4.7674","0.0009","90","","90","","90","","9531","3","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","(4-(aminomethyl)pyridine acetate)2, isophthalic acid","[4-(aminomethyl)pyridine acetate]2, isophthalic acid","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C384 H416 N64 O96 -","16","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1642","0.0699","","","0.1559","0.1904","","","","","","0.824","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202558","18.5868","0.0012","6.8213","0.0005","14.0335","0.001","90","","103.406","0.004","90","","1730.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-pyridylmethyl)acetamide, 5-nitroisophthalic acid hydrate","N-(4-pyridylmethyl)acetamide, 5-nitroisophthalic acid hydrate","","- C16 H17 N3 O8 -","- C16 H17 N3 O8 -","- C64 H68 N12 O32 -","4","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1282","0.0683","","","0.1736","0.2112","","","","","","1.032","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202559","7.173","0.0008","7.6117","0.0008","11.9194","0.0013","80.462","0.007","75.807","0.007","87.896","0.007","622.19","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(4-pyridyl)acetamide, glutaric acid","N-(4-pyridyl)acetamide, glutaric acid","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C24 H32 N4 O10 -","2","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.0664","0.0542","","","0.1396","0.1483","","","","","","1","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202560","6.862","0.0003","10.228","0.0005","12.58","0.0006","97.06","0.003","92.723","0.0019","102.455","0.005","853.11","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione,2,6-dimethyl clathrate","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene- 4,8-dione,2,6-dimethyl clathrate","","- C21 H18 N O2 -","- C21 H18 N O2 -","- C42 H36 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2706","0.0763","","","0.1555","0.2193","","","","","","0.931","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202561","10.864","0.003","11.536","0.003","16.32","0.006","95.128","0.011","108.375","0.014","112.176","0.015","1746.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol 3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione,2,6-dimethyl clathrate monohydrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol 3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene- 4,8-dione,2,6-dimethyl clathrate monohydrate","","- C42 H38 N2 O5 -","- C42 H38 N2 O5 -","- C84 H76 N4 O10 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.1765","0.0387","","","0.0814","0.1202","","","","","","0.608","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202562","8.4564","0.0004","10.8394","0.0004","11.3593","0.0006","64.012","0.003","79.957","0.002","68.499","0.002","870.69","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2- (1H)-pyridone) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2-(1H)-pyridone) clathrate","","- C21 H18 N O2 -","- C21 H17.16 N O2 -","- C42 H34.32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.0756","0.0516","","","0.1578","0.1663","","","","","","1.064","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202563","7.7433","0.0009","7.7868","0.0008","13.5188","0.0017","88.115","0.004","76.675","0.004","86.03","0.008","791.16","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.1293","0.1001","","","0.2983","0.3199","","","","","","1.093","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202564","6.151","0.006","9.114","0.011","13.112","0.002","95.93","0.05","93.28","0.05","100.18","0.06","717.5","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2102","0.1324","","","0.3794","0.4203","","","","","","1.485","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202565","10.555","0.002","13.574","0.003","17.197","0.003","81.04","0.02","80.96","0.02","81.74","0.02","2385.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol(3,7- Diazatricyclo(4.2.2.22,5) dodeca-9,11-diene-4,8-dione)water clathrate","","","- C60 H50 N3 O7 -","- C60 H48 N3 O6.394 -","- C120 H96 N6 O12.788 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2164","0.1003","","","0.2628","0.2969","","","","","","0.87","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202566","7.7919","0.0002","8.0674","0.0003","13.4552","0.0006","85.0897","0.0014","75.6634","0.0013","81.16","0.002","808.73","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)- pyridone) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)-pyridone) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.0594","0.0369","","","0.0947","0.1002","","","","","","0.912","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202567","11.5","0.005","17.654","0.008","12.048","0.005","90","","95.909","0.01","90","","2433","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N6 O20 Zn3 -","- C40 H46 N6 O20 Zn3 -","- C80 H92 N12 O40 Zn6 -","2","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.1273","0.0794","","","0.1876","0.2013","","","","","","0.842","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202568","10.122","0.007","10.124","0.007","11.446","0.008","88.961","0.009","69.655","0.009","89.692","0.009","1099.6","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N6 O20 Zn3 -","- C36 H40 N6 O20 Zn3 -","- C36 H40 N6 O20 Zn3 -","1","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0327","0.0297","","","0.0847","0.0864","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202569","11.377","0.007","20.36","0.012","11.665","0.007","90","","103.981","0.008","90","","2622","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N8 O18 Zn3 -","- C46 H44 N8 O18 Zn3 -","- C92 H88 N16 O36 Zn6 -","2","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0951","0.0548","","","0.1317","0.1454","","","","","","0.904","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202570","5.738","0.003","9.471","0.005","10.852","0.007","64.246","0.007","80.464","0.012","89.857","0.009","522.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cu0.5 N2 O3 -","- C11 H10 Cu0.5 N2 O3 -","- C22 H20 Cu N4 O6 -","2","1","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0958","0.0508","","","0.0854","0.0932","","","","","","0.777","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202571","10.028","0.004","12.693","0.005","11.881","0.005","90","","97.236","0.006","90","","1500.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C48 H48 Cu4 N8 O24 -","4","1","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.1022","0.0405","","","0.0741","0.0853","","","","","","0.642","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202580","7.768","0.003","14.344","0.006","16.125","0.007","92.98","0.007","95.605","0.007","99.593","0.007","1758.8","1.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N2 Nd2 O14 -","- C31 H38 N2 Nd2 O14 -","- C62 H76 N4 Nd4 O28 -","2","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0653","0.036","","","0.0651","0.0711","","","","","","0.858","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202581","7.7447","0.0012","10.1935","0.0016","12.1464","0.0019","80.751","0.003","80.287","0.003","82.818","0.003","928.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N O7 Pr -","- C17 H24 N O7 Pr -","- C34 H48 N2 O14 Pr2 -","2","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0854","0.0498","","","0.0916","0.104","","","","","","0.937","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202582","20.433","0.015","6.762","0.005","13.529","0.012","90","","122.77","0.02","90","","1572","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H2 N2 O6 U -","- C5 H2 N2 O6 U -","- C40 H16 N16 O48 U8 -","8","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0333","0.0226","","","0.0397","0.0429","","","","","","1.032","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202583","5.3964","0.0003","13.7766","0.0007","20.9426","0.0011","90","","94.216","0.001","90","","1552.74","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 Cu3 N8 O24 U2 -","- C20 H6 Cu3 N8 O24 U2 -","- C40 H12 Cu6 N16 O48 U4 -","2","0.5","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0452","0.0288","","","0.0521","0.0563","","","","","","1.038","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202584","15.529","0.003","9.4144","0.0015","14.66","0.002","90","","116.848","0.003","90","","1912.2","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 Cu N4 O16 U2 -","- C10 H4 Cu N4 O16 U2 -","- C40 H16 Cu4 N16 O64 U8 -","4","0.5","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0498","0.038","","","0.0803","0.0846","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202585","7.1563","0.001","13.1156","0.0015","27.469","0.003","90","","90","","90","","2578.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-(4- (methylthio)phenyl)propan-2-aminium (1R,3R)-2,2-dimethyl-3-(2- methylprop-1-enyl)-cyclopropanecarboxylate, methanol solvated","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-[4-(methylthio)phenyl]propan- 2-aminium (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)- cyclopropanecarboxylate, methanol solvated","","- C23 H39 N O5 S -","- C23 H39 N O5 S -","- C92 H156 N4 O20 S4 -","4","1","","Rosini, Goffredo; Ayoub, Claudia; Borzatta, Valerio; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo","The same and not the same. Similarities and differences in the resolution of trans-chrysanthemic acid of industrial origin by the enantiomers of some threo-1-aryl-2-dimethylamino-1,3-propanediols","Green Chemistry","2007","9","5","441","","10.1039/b615785h","","","0.71073","MoKα","","0.056","0.047","","","0.1345","0.1434","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202586","9.994","0.0005","7.8004","0.0004","15.8597","0.0008","90","","106.301","0.001","90","","1186.68","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-(4- (methylthio)phenyl)propan-2-aminium (1R,3R)-2,2-dimethyl-3-(2- methylprop-1-enyl)-cyclopropanecarboxylate","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-[4-(methylthio)phenyl]propan- 2-aminium (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)- cyclopropanecarboxylate","","- C22 H35 N O4 S -","- C22 H35 N O4 S -","- C44 H70 N2 O8 S2 -","2","1","","Rosini, Goffredo; Ayoub, Claudia; Borzatta, Valerio; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo","The same and not the same. Similarities and differences in the resolution of trans-chrysanthemic acid of industrial origin by the enantiomers of some threo-1-aryl-2-dimethylamino-1,3-propanediols","Green Chemistry","2007","9","5","441","","10.1039/b615785h","","","0.71073","MoKα","","0.0567","0.0528","","","0.1548","0.1599","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202588","8.615","0.0001","16.1796","0.0002","18.0133","0.0002","66.868","0.001","82.44","0.001","81.925","0.001","2278.01","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H98 Cl12 Cu6 N6 O40 P12 -","- C42 H98 Cl12 Cu6 N6 O40 P12 -","- C42 H98 Cl12 Cu6 N6 O40 P12 -","1","0.5","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0521","0.041","","","0.0922","0.097","","","","","","1.06","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202589","28.3302","0.0003","7.5044","0.0001","17.4238","0.0003","90","","120.66","0.0005","90","","3186.48","0.08","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C7 H19 Cl2 Mg N O8 P2 -","- C7 H19 Cl2 Mg N O8 P2 -","- C56 H152 Cl16 Mg8 N8 O64 P16 -","8","1","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0346","0.0277","","","0.0667","0.0702","","","","","","1.043","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202590","9.8138","0.0001","11.2658","0.0001","15.1752","0.0002","100.624","0.001","105.179","0.001","105.465","0.001","1501.22","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","1","0.5","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0387","0.0279","","","0.0671","0.071","","","","","","1.033","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202591","9.1901","0.0002","5.9097","0.0001","16.013","0.0003","90","","103.107","0.001","90","","847.02","0.03","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H21 Cd Cl2 N O9 P2 -","- C7 H21 Cd Cl2 N O9 P2 -","- C14 H42 Cd2 Cl4 N2 O18 P4 -","2","1","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0247","0.0224","","","0.0479","0.0487","","","","","","1.055","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202592","7.622","0.004","10.286","0.005","24.546","0.013","95.575","0.009","91.129","0.01","95.722","0.01","1904.9","1.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Ag2 N8 O12 S2 -","- C34 H30 Ag2 N8 O12 S2 -","- C68 H60 Ag4 N16 O24 S4 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.06","0.0463","","","0.1267","0.1388","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202593","8.281","0.004","10.145","0.005","12.334","0.007","78.948","0.009","80.966","0.01","82.189","0.009","998.4","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Ag N4 O7 S -","- C17 H19 Ag N4 O7 S -","- C34 H38 Ag2 N8 O14 S2 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0356","0.0289","","","0.0733","0.0771","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202594","9.601","0.005","10.292","0.006","11.721","0.007","78.733","0.01","87.057","0.01","65.7","0.009","1034.7","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Ag N4 O7 S -","- C18 H20 Ag N4 O7 S -","- C36 H40 Ag2 N8 O14 S2 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0368","0.029","","","0.0745","0.0805","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202595","9.464","0.0019","12.346","0.003","18.082","0.004","100.51","0.03","103.36","0.03","102.01","0.03","1950.7","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64 Ag4 N16 O22 S4 -","- C72 H64 Ag4 N16 O22 S4 -","- C72 H64 Ag4 N16 O22 S4 -","1","0.5","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0836","0.0512","","","0.1326","0.1495","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202596","16.7531","0.0013","16.7531","0.0013","10.8111","0.0012","90","","90","","120","","2627.8","0.4","298","2","298","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C26 H39.33 Cu2 N2 O20.66 -","- C26 H39.3208 Cu2 N2 O20.66 -","- C78 H117.962 Cu6 N6 O61.98 -","3","0.25","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0599","","","0.1223","0.1322","","","","","","1.163","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202597","28.937","0.003","28.937","0.003","10.6939","0.0014","90","","90","","120","","7754.9","1.5","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C252 H368 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","1","0.166667","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0619","","","0.1439","0.1525","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202598","10.875","0.0001","11.4418","0.0001","14.8044","0.0002","107.154","0.001","98.373","0.001","108.36","0.001","1611.74","0.04","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Cl2 N O4 P2 Pd -","- C34 H33 Cl2 N O4 P2 Pd -","- C68 H66 Cl4 N2 O8 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0349","0.0288","","","0.0671","0.0705","","","","","","1.022","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202599","28.5307","0.0004","31.9677","0.0006","12.612","0.0002","90","","90","","90","","11502.9","0.3","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35.66667 H35.66667 Cl2 N O3.66667 P2 Pd -","- C35.6667 H35.6667 Cl2 N O3.66667 P2 Pd -","- C428 H428 Cl24 N12 O44 P24 Pd12 -","12","1.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0805","0.0455","","","0.1022","0.1114","","","","","","0.98","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7202600","12.4716","0.0003","16.8605","0.0004","16.8411","0.0004","90","","108.148","0.001","90","","3365.14","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl2 N O4 P2 Pd -","- C34 H33 Cl2 N O4 P2 Pd -","- C136 H132 Cl8 N4 O16 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.055","0.0408","","","0.1067","0.1139","","","","","","1.013","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202601","9.064","0.0005","24.7367","0.0017","15.9091","0.001","90","","97.144","0.002","90","","3539.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C136 H120 Cl20 N4 O12 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.1674","0.0665","","","0.1227","0.1531","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202602","9.657","0.005","9.83","0.005","21.63","0.005","86.346","0.005","82.333","0.005","69.59","0.005","1906.9","1.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C68 H60 Cl10 N2 O6 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0777","0.0456","","","0.1025","0.1106","","","","","","0.991","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202603","10.4008","0.0002","10.906","0.0002","17.6929","0.0005","91.922","0.001","102.16","0.001","117.036","0.001","1728.13","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C68 H60 Cl10 N2 O6 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0359","0.0301","","","0.0687","0.0714","","","","","","1.038","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202604","25.1097","0.001","8.0163","0.0002","19.7326","0.0006","90","","99.948","0.001","90","","3912.2","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H39 Cl2 N O6.5 P2 Pd -","- C36.5 H37 Cl2 N O6.5 P2 Pd -","- C146 H148 Cl8 N4 O26 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0774","0.0478","","","0.11","0.121","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202605","12.3355","0.0002","13.5157","0.0003","14.6704","0.0002","67.561","0.001","86.733","0.001","80.258","0.001","2228.03","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 Cl2 N O7 P2 Pd S3 -","- C40 H47 Cl2 N O7 P2 Pd S3 -","- C80 H94 Cl4 N2 O14 P4 Pd2 S6 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0568","0.0428","","","0.1064","0.1137","","","","","","1.035","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202606","12.6157","0.0004","31.5085","0.0008","9.9021","0.0002","90","","93.629","0.001","90","","3928.21","0.18","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N O5 P2 Pd S2 -","- C37 H41 Cl2 N O5 P2 Pd S2 -","- C148 H164 Cl8 N4 O20 P8 Pd4 S8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0894","0.0437","","","0.076","0.0877","","","","","","0.954","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202607","19.631","0.004","17.047","0.003","10.506","0.002","90","","90","","90","","3515.8","1.2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C35 H35 Cl2 N O4 P2 Pd S -","- C35 H35 Cl2 N O4 P2 Pd S -","- C140 H140 Cl8 N4 O16 P8 Pd4 S4 -","4","0.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.1096","0.0784","","","0.2041","0.2292","","","","","","1.028","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202612","7.7901","0.0003","10.8098","0.0004","23.0523","0.0009","90","","90","","90","","1941.22","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-4-(2,3-dihydroxypropoxy) benzoic acid","","- C10 H12 O5 -","- C10 H12 O5 -","- C80 H96 O40 -","8","2","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0422","0.0409","","","0.113","0.1151","","","","","","1.11","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202613","11.2283","0.0003","12.835","0.0003","13.7238","0.0004","66.37","0.001","88.669","0.001","65.326","0.001","1621.68","0.08","123","2","123","2","","","","","","","","4","P 1","P 1","1","","Lanthanum (R)-4-(2,3-dihydroxypropoxy) benzoate","","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","1","1","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0167","0.0163","","","0.0401","0.0403","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202614","15.748","0.003","15.748","0.003","12.706","0.003","90","","90","","90","","3151.1","1.1","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Cl2 N2 O2 Zn -","- C36 H30 Cl2 N2 O2 Zn -","- C144 H120 Cl8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1184","0.0518","","","0.1017","0.1235","","","","","","0.862","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202615","15.94","0.001","15.94","0.001","12.604","0.008","90","","90","","90","","3202","2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Br2 N2 O2 Zn -","- C36 H30 Br2 N2 O2 Zn -","- C144 H120 Br8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.0237","0.0194","","","0.0404","0.0415","","","","","","0.924","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202616","21.923","0.001","21.923","0.001","14.7289","0.0008","90","","90","","90","","7079","0.6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H30 I2 N2 O2 Zn -","- C36 H30 I2 N2 O2 Zn -","- C288 H240 I16 N16 O16 Zn8 -","8","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1051","0.0989","","","0.2787","0.2922","","","","","","1.403","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202617","10.3597","0.0004","15.645","0.0005","16.562","0.0007","99.984","0.002","103.52","0.0019","101.54","0.002","2487.96","0.17","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H85 N O6 -","- C53 H85 N O6 -","- C106 H170 N2 O12 -","2","1","","Edwin C. Constable; Marc Häusler; B. A. Hermann; Catherine E. Housecroft; Markus Neuburger; Silvia Schaffner; Lukas J. Scherer","Self-assembled monolayers as two-dimensional crystals: relationship to three-dimensional crystals","CrystEngComm","2007","9","2","176","","10.1039/b616968f","","","0.71073","MoKα","","0.1549","0.0766","","0.1172","0.0761","0.0761","","","","","","1.122","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202618","10.4631","0.0002","15.6769","0.0004","16.462","0.0005","100.759","0.0014","104.014","0.0014","101.721","0.0016","2484.93","0.11","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C53 H82 O7 -","- C53 H82 O7 -","- C106 H164 O14 -","2","1","","Edwin C. Constable; Marc Häusler; B. A. Hermann; Catherine E. Housecroft; Markus Neuburger; Silvia Schaffner; Lukas J. Scherer","Self-assembled monolayers as two-dimensional crystals: relationship to three-dimensional crystals","CrystEngComm","2007","9","2","176","","10.1039/b616968f","","","0.71073","MoKα","","0.0729","0.0687","","0.0795","0.0763","0.0763","","","","","","1.0842","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202619","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration?","CrystEngComm","2007","9","3","207","","10.1039/b617051j","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202620","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration?","CrystEngComm","2007","9","3","207","","10.1039/b617051j","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202621","11.954","0.002","12.521","0.002","11.888","0.002","90","","95.68","0.01","90","","1770.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H28 Bi I9 N4 S4 -","- C8 H28 Bi I9 N4 S4 -","- C16 H56 Bi2 I18 N8 S8 -","2","0.25","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0409","","","","0.1085","","","","","","1.125","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202622","23.45","0.005","12.724","0.003","12.401","0.003","90","","108.45","0.03","90","","3510","1.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H29 Bi I9 N4 O0.5 S4 -","- C8 H28 Bi I9 N4 O0.5 S4 -","- C32 H112 Bi4 I36 N16 O2 S16 -","4","1","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0485","","","","0.1198","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202623","8.5276","0.0017","10.405","0.002","17.504","0.004","77.92","0.03","87.39","0.03","85.29","0.03","1513","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H30 Bi I8 N4 O -","- C8 H27.97 Bi I8 N4 O -","- C16 H55.94 Bi2 I16 N8 O2 -","2","1","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0434","","","","0.0943","","","","","","1.026","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202624","11.792","0.002","12.737","0.002","21.908","0.003","90","","94.29","0.01","90","","3281.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H67 Bi I12 N4 O9 -","- C32 H60 Bi I12 N4 O9 -","- C64 H120 Bi2 I24 N8 O18 -","2","0.25","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","0.0593","0.0385","","","0.0833","0.0892","","","","","","1.095","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202625","18.459","0.013","10.458","0.007","13.063","0.01","90","","102.552","0.011","90","","2461","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","terephthalato-bisaquo-1,2-bis(4-pirydyl)ethane-cobalt(ii) hydrated","terephthalato-bisaquo-1,2-bis(4-pirydyl)ethane-cobalt(II) hydrated","","- C20 H25 Co N2 O8.5 -","- C20 H20 Co N2 O8.5 -","- C80 H80 Co4 N8 O34 -","4","1","","Manna, Subal Chandra; Okamoto, Ken-ichi; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Stabilization of the 2D inclined interpenetrated net of {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with appropriate solvent","CrystEngComm","2007","9","3","199","","10.1039/b617277f","","","0.71073","MoKα","","0.0558","0.0468","","","0.1414","0.1632","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202626","19.887","0.004","10.574","0.004","11.876","0.003","90","","110.79","0.02","90","","2334.7","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(ii) glycolethylene solvated","terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(II) glycolethylene solvated","","- C22 H26 Co N2 O8 -","- C22 H26 Co N2 O8 -","- C88 H104 Co4 N8 O32 -","4","0.5","","Manna, Subal Chandra; Okamoto, Ken-ichi; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Stabilization of the 2D inclined interpenetrated net of {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with appropriate solvent","CrystEngComm","2007","9","3","199","","10.1039/b617277f","","","0.71073","Mokα","","0.0659","0.0417","","","0.1133","0.1228","","","","","","0.983","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202629","21.019","0.006","11.483","0.003","19.949","0.006","90","","119.92","0.003","90","","4173","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Chen, Shu-Mei; Zhang, Jian; Lu, Can-Zhong","One-pot synthesis of two isomeric zinc complexes with unusual polycatenation motifs","CrystEngComm","2007","9","5","390","","10.1039/b617362d","","","0.71073","MoKα","","","0.0448","","","0.1208","0.1254","","","","","","1.015","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202630","10.497","0.003","14.594","0.004","19.106","0.005","89.927","0.008","83.212","0.007","73.564","0.004","2786","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N4 O16 Zn4 -","- C58 H44 N4 O16 Zn4 -","- C116 H88 N8 O32 Zn8 -","2","1","","Chen, Shu-Mei; Zhang, Jian; Lu, Can-Zhong","One-pot synthesis of two isomeric zinc complexes with unusual polycatenation motifs","CrystEngComm","2007","9","5","390","","10.1039/b617362d","","","0.71073","MoKα","","0.1112","0.0575","","","0.1326","0.1627","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202636","10.0092","0.0006","11.2895","0.0007","15.5109","0.0008","98.9","0.04","102.04","0.05","104","0.05","1623.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O4 -","- C34 H52 N2 O4 -","- C68 H104 N4 O8 -","2","1","","Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina","Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides","CrystEngComm","2007","9","9","746","","10.1039/b617605d","","","0.71073","MoKα","","0.132","0.0645","","","0.147","0.1752","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202637","23.029","0.004","25.201","0.005","12.087","0.003","90","","90","","90","","7015","3","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C35 H54 N2 O4 -","- C35 H54 N2 O4 -","- C280 H432 N16 O32 -","8","1","","Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina","Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides","CrystEngComm","2007","9","9","746","","10.1039/b617605d","","","0.71073","MoKα","","0.087","0.0463","","","0.0854","0.0979","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202640","27.098","0.004","47.336","0.008","6.933","0.007","90","","90","","90","","8893","9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis(bis(pentafluorobenzoyl)methane)copper(ii)","Bis[bis(pentafluorobenzoyl)methane]copper(II)","","- C48 H20 Cu F20 O4 -","- C48 H20 Cu F20 O4 -","- C384 H160 Cu8 F160 O32 -","8","0.5","","Hori, Akiko; Arii, Tadashi","Cation?? and arene?perfluoroarene interactions between Cu(ii) fluorine-substituted ?-diketonate complex and benzenes","CrystEngComm","2007","9","3","215","","10.1039/b617808a","","","0.71069","MoKα","","0.0472","0.0318","","","0.0865","0.0945","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202645","12.4391","0.0006","12.72","0.0005","13.2986","0.0006","90","","114.955","0.001","90","","1907.73","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate","Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate","","- C40 H42 N8 O10 Sn -","- C40 H42 N8 O10 Sn -","- C80 H84 N16 O20 Sn2 -","2","0.5","","Langford, Steven J.; Woodward, Clint P.","Supramolecular self-assembly of dihydroxy tin(iv) porphyrin stabilized helical water chains","CrystEngComm","2007","9","3","218","","10.1039/b617911h","","","0.71073","MoKα","","0.0532","0.048","","","0.0963","0.0985","","","","","","1.248","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202646","7.5677","0.0004","16.7343","0.0006","11.6003","0.0003","90","","90","","90","","1469.06","0.1","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,4,6-trimethylpyridine pentafluoroiodobenzene","2,4,6-trimethylpyridine pentafluoroiodobenzene","","- C14 H11 F5 I N -","- C14 H11 F5 I N -","- C56 H44 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0268","0.0193","","","0.049","0.0514","","","","","","1.116","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202647","7.3936","0.0009","15.4467","0.0019","12.0105","0.0013","90","","90.881","0.01","90","","1371.5","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct","2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0212","0.0189","","","0.0447","0.0454","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202648","7.2401","0.0008","15.1648","0.0014","12.9908","0.0012","90","","91.574","0.008","90","","1425.8","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,5-dimethlpyridine pentafluoroiodobenzene","3,5-dimethlpyridine pentafluoroiodobenzene","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0285","0.0264","","","0.0645","0.066","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202649","7.2792","0.0005","12.9453","0.0007","15.2214","0.0011","90","","95.479","0.006","90","","1427.78","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3,5-dimethylpyridine pentafluoroiodobenzene","3,5-dimethylpyridine pentafluoroiodobenzene","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","1","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0689","0.0667","","","0.1865","0.1881","","","","","","1.19","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202650","7.2888","0.0006","14.1251","0.0011","12.6561","0.0011","90","","95.502","0.007","90","","1297.01","0.19","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylpyridine pentafluoroiodobenzene","4-methylpyridine pentafluoroiodobenzene","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0307","0.0249","","","0.0601","0.0627","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202651","22.877","0.01","8.045","0.003","10.222","0.004","90","","90","","90","","1881.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cu I N6 -","- C20 H16 Cu I N6 -","- C80 H64 Cu4 I4 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0984","0.0794","","","0.2102","0.2246","","","","","","1.049","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202652","23.858","0.005","5.2642","0.001","15.317","0.003","90","","90","","90","","1923.7","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Ag B F4 N6 O0 -","- C20 H16 Ag B F4 N6 -","- C80 H64 Ag4 B4 F16 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0805","0.0382","","","0.0861","0.1059","","","","","","0.98","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202653","25.142","0.005","5.1544","0.001","15.608","0.003","90","","97.98","0.03","90","","2003.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N8 O6 Zn -","- C20 H16 N8 O6 Zn -","- C80 H64 N32 O24 Zn4 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.04","0.036","","","0.0761","0.0783","","","","","","1.089","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202654","13.678","0.002","34.456","0.005","10.243","0.0015","90","","110.382","0.002","90","","4525.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 N12 O11 Zn -","- C42 H42 Cl2 N12 O11 Zn -","- C168 H168 Cl8 N48 O44 Zn4 -","4","1","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.1298","0.0683","","","0.1597","0.1748","","","","","","1.067","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202655","13.675","0.003","33.935","0.007","10.178","0.002","90","","110.05","0.03","90","","4437","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cd Cl2 N12 O11 -","- C42 H42 Cd Cl2 N12 O11 -","- C168 H168 Cd4 Cl8 N48 O44 -","4","1","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.1085","0.0952","","","0.2696","0.2874","","","","","","1.084","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202656","24.236","0.005","5.1343","0.001","15.771","0.003","90","","94.68","0.03","90","","1955.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 Hg N6 -","- C20 H16 Br2 Hg N6 -","- C80 H64 Br8 Hg4 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0266","0.0252","","","0.065","0.0659","","","","","","1.145","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202661","12.475","0.005","8.656","0.005","8.75","0.005","90","","110.275","0.005","90","","886.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetraiodoplumbate(ii)","bis(cyclopropylammonium)tetraiodoplumbate(II)","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C12 H32 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71069","MoKα","","0.0652","0.0386","","","0.094","0.1034","","","","","","1.042","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202662","13.355","0.003","8.356","0.0017","9.0583","0.0018","90","","107.747","0.004","90","","962.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetraiodoplumbate(ii)","bis(cyclobutylammonium)tetraiodoplumbate(II)","","- C8 H20 I4 N2 Pb -","- C8 H20 I4 N2 Pb -","- C16 H40 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0347","0.0264","","","0.0554","0.0573","","","","","","0.985","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202663","14","0.02","8.928","0.014","8.949","0.015","90","","108.57","0.04","90","","1060","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopentylammonium)tetraiodoplumbate(ii)","bis(cyclopentylammonium)tetraiodoplumbate(II)","","- C10 H24 I4 N2 Pb -","- C10 H24 I4 N2 Pb -","- C20 H48 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.1012","0.093","","","0.2339","0.261","","","","","","1.045","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202664","9.1677","0.0015","8.7335","0.0014","27.276","0.005","90","","90","","90","","2183.9","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(cyclohexylammonium)tetraiodoplumbate(ii)","bis(cyclohexylammonium)tetraiodoplumbate(II)","","- C12 H28 I4 N2 Pb -","- C12 H28 I4 N2 Pb -","- C48 H112 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0511","0.0315","","","0.069","0.0749","","","","","","1.052","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202665","34.587","0.005","8.7821","0.0012","26.662","0.003","90","","124.255","0.002","90","","6693.7","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(cycloheptylammonium)pentaiodoplumbate(ii)","tris(cycloheptylammonium)pentaiodoplumbate(II)","","- C21 H48 I5 N3 Pb -","- C21 H48 I5 N3 Pb -","- C168 H384 I40 N24 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0452","0.0351","","","0.0828","0.087","","","","","","1.063","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202666","7.9889","0.0012","8.6291","0.0013","22.455","0.003","90","","90","","90","","1548","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(cyclooctylammonium)triiodoplumbate(ii)","(cyclooctylammonium)triiodoplumbate(II)","","- C8 H18 I3 N Pb -","- C8 H18 I3 N Pb -","- C32 H72 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.049","0.0423","","","0.0995","0.1019","","","","","","1.064","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202667","8.2675","0.0016","11.014","0.002","11.281","0.002","77.077","0.003","84.154","0.003","70.74","0.003","944.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N O8 Zn -","- C22 H14 N O8 Zn -","- C44 H28 N2 O16 Zn2 -","2","1","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0517","0.0396","","","0.0908","0.0957","","","","","","0.967","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202668","18.694","0.004","12.899","0.004","12.535","0.003","90","","108.991","0.007","90","","2858.1","1.3","278","2","278","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N8 O18 Zn4 -","- C62 H48 N8 O18 Zn4 -","- C124 H96 N16 O36 Zn8 -","2","0.25","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0708","0.0542","","","0.1295","0.1359","","","","","","1.062","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202669","7.3409","0.0016","10.135","0.002","11.966","0.003","75.521","0.003","75.762","0.004","74.716","0.003","815.9","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Cd2 O19 -","- C34 H26 Cd2 O19 -","- C34 H26 Cd2 O19 -","1","0.5","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0774","0.0598","","","0.1178","0.1209","","","","","","1.072","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202670","18.277","0.003","9.8838","0.0018","15.724","0.003","90","","102.463","0.001","90","","2773.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Cd2 N4 O14 -","- C21 H36 Cd2 N4 O14 -","- C84 H144 Cd8 N16 O56 -","4","0.5","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0679","0.0481","","","0.108","0.114","","","","","","0.994","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202671","8.6677","0.0007","13.1873","0.0011","12.1442","0.001","90","","93.983","0.002","90","","1384.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Br4 N2 O4 Pd -","- C22 H32 Br4 N2 O4 Pd -","- C44 H64 Br8 N4 O8 Pd2 -","2","0.5","","Neve, Francesco; Crispini, Alessandra","Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts","CrystEngComm","2007","9","8","698","","10.1039/b618696c","","","0.71073","MoKα","","0.0251","0.0211","","","0.0491","0.0509","","","","","","1.051","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202672","7.7977","0.0009","8.3354","0.001","19.246","0.002","97.599","0.002","92.545","0.002","104.395","0.002","1197.1","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 Br4 N2 O4 Pd -","- C42 H72 Br4 N2 O4 Pd -","- C42 H72 Br4 N2 O4 Pd -","1","0.5","","Neve, Francesco; Crispini, Alessandra","Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts","CrystEngComm","2007","9","8","698","","10.1039/b618696c","","","0.71073","MoKα","","0.0484","0.0348","","","0.083","0.0868","","","","","","0.957","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202673","14.636","0.003","17.062","0.003","25.079","0.004","76.787","0.01","85.972","0.012","64.566","0.009","5503.2","1.8","143","2","143","2","","","","","","","","4","P -1","-P 1","2","3S (aminopyridyl)ethynylcavitand, NO22PhCOOH","3S (aminopyridyl)ethynylcavitand, NO22PhCOOH","","- C114 H106.1 N18.45 O32.55 -","- C114 H106.1 N18.45 O32.55 -","- C228 H212.2 N36.9 O65.1 -","2","1","","Christer Aakeröy; Nate Schultheiss; John Desper","Synthesis and hydrogen-bond capabilities of an amino-pyridine functionalized cavitand","CrystEngComm","2007","9","3","211","","10.1039/b618728e","","","0.71073","MoKα","","0.3967","0.1084","","","0.2468","0.3484","","","","","","0.762","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202674","12.7783","0.0009","24.5634","0.0018","29.317","0.002","90","","90","","90","","9202","1.1","85","2","85","2","","","","","","","","4","P n m a","-P 2ac 2n","62","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","","- C101.6 H111 N9 O16 -","- C102.1 H111.598 N9 O16 -","- C408.4 H446.392 N36 O64 -","4","0.5","","Christer Aakeröy; Nate Schultheiss; John Desper","Synthesis and hydrogen-bond capabilities of an amino-pyridine functionalized cavitand","CrystEngComm","2007","9","3","211","","10.1039/b618728e","","","0.71073","MoKα","","0.1589","0.0945","","","0.2654","0.3114","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202683","7.475","0.002","11.848","0.003","12.856","0.003","90","","103.12","0.03","90","","1108.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","brucinium bromide dihydrate","","- C23 H31 Br N2 O6 -","- C23 H31 Br N2 O6 -","- C46 H62 Br2 N4 O12 -","2","1","","Agata Białońska; Zbigniew Ciunik","Intermolecular hinge?a new function of the C?H?? hydrogen bond","CrystEngComm","2007","9","7","570","","10.1039/b700211d","","","0.71073","MoKα","","0.078","0.0409","","","0.0703","0.0774","","","","","","0.847","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202684","21.1635","0.0016","5.6554","0.0004","16.5577","0.0013","90","","114.797","0.007","90","","1799","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,3,4,5,6-pentafluorophenol 2,3,4,5,6-pentafluoroaniline 2:1 adduct","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C72 H16 F60 N4 O8 -","4","1","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0431","0.0313","","","0.0573","0.0608","","","","","","0.95","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202685","5.1398","0.0009","19.0901","0.0016","19.152","0.0015","90","","90","","90","","1879.2","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,5,6-pentafluorophenol","","- C6 H F5 O -","- C6 H F5 O -","- C72 H12 F60 O12 -","12","3","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0695","0.049","","","0.0929","0.1012","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202686","12.938","0.003","4.8572","0.0013","10.01","0.002","90","","106.55","0.02","90","","603","0.3","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,4,5,6-pentafluorophenol","","- C6 H F5 O -","- C6 H F5 O -","- C24 H4 F20 O4 -","4","1","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0667","0.0505","","","0.1359","0.1505","","","","","","1.104","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202687","12.0266","0.0005","10.2443","0.0004","4.9988","0.0002","90","","90","","90","","615.87","0.04","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene","1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene","","- C13 H6 F4 I N -","- C13 H6 F4 I N1.434 -","- C26 H12 F8 I2 N2.868 -","2","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0505","0.038","","","0.0695","0.0737","","","","","","0.997","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202688","8.9889","0.0003","9.0836","0.0003","12.9622","0.0005","88.061","0.002","86.489","0.002","67.894","0.002","978.67","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","N7 Cu(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br- phenyl)ethene)2","N7 Cu(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br-phenyl)ethene]2","","- C36 H14 Br2 Cu F20 N2 O4 -","- C36 H14 Br2 Cu F20 N2 O4 -","- C36 H14 Br2 Cu F20 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0535","0.0332","","","0.0793","0.0886","","","","","","1.019","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202689","8.9245","0.0004","9.0077","0.0003","13.0921","0.0005","86.37","0.002","86.442","0.002","70.214","0.002","987.42","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","NSBrCo Co(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br- phenyl)ethene)2","NSBrCo Co(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br-phenyl)ethene]2","","- C36 H14 Br2 Co F20 N2 O4 -","- C36.004 H14 Br2 Co F20.012 N2 O4 -","- C36.004 H14 Br2 Co F20.012 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0562","0.0354","","","0.0795","0.0874","","","","","","1.027","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202690","9.0352","0.0004","9.0357","0.0004","13.2174","0.0006","87.447","0.002","88.53","0.002","69.506","0.002","1009.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","N3 Cu(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-I- phenyl)ethene)2","N3 Cu(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene]2","","- C36 H14 Cu F20 I2 N2 O4 -","- C36 H14 Cu F20 I2 N2 O4 -","- C36 H14 Cu F20 I2 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.047","0.0327","","","0.0716","0.0784","","","","","","1.031","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202691","9.9628","0.0006","10.6131","0.0007","12.7053","0.0008","114.135","0.001","98.032","0.001","92.76","0.001","1205.68","0.13","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.031","0.027","","","0.057","0.059","","","","","","1","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202692","8.4818","0.0006","11.9828","0.0008","12.1684","0.0008","105.973","0.001","99.485","0.001","106.821","0.001","1097.24","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Au2 N2 O2 P2 S2 -","- C46 H48 Au2 N2 O2 P2 S2 -","- C46 H48 Au2 N2 O2 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.038","0.035","","","0.089","0.09","","","","","","1.16","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202693","8.9734","0.0012","10.5472","0.0014","25.098","0.003","90","","92.957","0.003","90","","2372.2","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au2 N2 O2 P2 S2 -","- C48 H52 Au2 N2 O2 P2 S2 -","- C96 H104 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.048","0.033","","","0.071","0.077","","","","","","1.02","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202694","9.2907","0.0005","11.4082","0.0006","12.0751","0.0006","115.352","0.001","91.155","0.001","90.652","0.001","1156.07","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 Au2 N4 O6 P2 S2 -","- C46 H46 Au2 N4 O6 P2 S2 -","- C46 H46 Au2 N4 O6 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.03","0.027","","","0.063","0.064","","","","","","1","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202695","8.872","0.002","12.31","0.003","12.717","0.003","104.028","0.005","90.272","0.005","107.186","0.005","1282.9","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H54 Au2 N4 O7 P2 S2 -","- C49 H50 Au2 N4 O7 P2 S2 -","- C49 H50 Au2 N4 O7 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.096","0.048","","","0.113","0.136","","","","","","1.01","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202696","13.8791","0.001","13.3279","0.001","26.1381","0.0019","90","","104.601","0.002","90","","4678.9","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Au2 N2 O4 P2 S2 -","- C46 H48 Au2 N2 O4 P2 S2 -","- C184 H192 Au8 N8 O16 P8 S8 -","4","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.062","0.042","","","0.118","0.125","","","","","","1.07","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202697","9.2316","0.0019","10.341","0.002","24.703","0.005","90","","99.062","0.005","90","","2328.8","0.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au2 N2 O2 P2 S2 -","- C48 H52 Au2 N2 O2 P2 S2 -","- C96 H104 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.054","0.037","","","0.082","0.097","","","","","","1.04","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202698","9.3315","0.0011","10.3035","0.0012","24.665","0.003","90","","95.074","0.003","90","","2362.2","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Au2 N2 O2 P2 S2 -","- C50 H56 Au2 N2 O2 P2 S2 -","- C100 H112 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.054","0.039","","","0.087","0.092","","","","","","1.03","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202699","11.6255","0.0013","15.2552","0.0017","15.2882","0.0018","90","","92.341","0.002","90","","2709.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-(n-butylpyridinium) Octamolybdate","","- C36 H56 Mo8 N4 O26 -","- C36 H56 Mo8 N4 O26 -","- C72 H112 Mo16 N8 O52 -","2","0.5","","Ming-Lin, Guo; Hui-Zhen, Li","Selective oxidation of benzyl alcohol to benzaldehyde with hydrogen peroxide over tetra-alkylpyridinium octamolybdate catalysts","Green Chemistry","2007","9","5","421","","10.1039/b700534b","","","0.71073","MoKα","","0.0527","0.0446","","","0.1247","0.1319","","","","","","1.088","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202700","7.8386","0.001","12.791","0.003","13.187","0.002","90","","99.17","0.011","90","","1305.3","0.4","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Marcel Bouvet; Bernard Malézieux; Patrick Herson; Françoise Villain","Self-organization of the 2-methoxyquinhydrone charge transfer complex in polar planes","CrystEngComm","2007","9","4","270","","10.1039/b700652g","","","0.71073","MoKα","","0.2296","0.0675","","0.1282","0.057","0.057","","","","","","1.0526","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202701","4.9678","0.0007","10.533","0.004","13.094","0.002","90","","91.194","0.013","90","","685","0.3","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Marcel Bouvet; Bernard Malézieux; Patrick Herson; Françoise Villain","Self-organization of the 2-methoxyquinhydrone charge transfer complex in polar planes","CrystEngComm","2007","9","4","270","","10.1039/b700652g","","","0.71073","MoKα","","0.0706","0.0473","","0.0756","0.0595","0.0595","","","","","","1.0549","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202702","12.2204","0.0002","12.5113","0.0002","13.5098","0.0002","69.946","0.001","87.21","0.001","68.896","0.001","1803.58","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H50 N4 O9 -","- C34 H50 N4 O9 -","- C68 H100 N8 O18 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1046","0.069","","","0.2015","0.2305","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202703","20.7294","0.0019","7.8139","0.0007","22.774","0.002","90","","104.081","0.002","90","","3578","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O5 -","- C19 H19 N3 O5 -","- C152 H152 N24 O40 -","8","2","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1887","0.0958","","","0.1779","0.2165","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202704","11.19","0.0002","11.3769","0.0002","17.1563","0.0004","80.895","0.001","76.141","0.001","65.615","0.001","1927.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 N4 O13 S2 -","- C38 H40 N4 O13 S2 -","- C76 H80 N8 O26 S4 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0812","0.0634","","","0.1673","0.1846","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202705","11.4032","0.0005","11.4631","0.0005","15.0226","0.0007","80.782","0.003","72.286","0.003","68.221","0.003","1734.59","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O5 -","- C38 H38 N4 O5 -","- C76 H76 N8 O10 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1814","0.0688","","","0.1241","0.1641","","","","","","0.984","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202706","7.528","0.002","11.516","0.003","12.334","0.003","114.29","0.004","99.137","0.004","96.136","0.004","944.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","1","0.5","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0768","0.0456","","","0.136","0.1604","","","","","","0.99","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202707","8.1869","0.0002","10.402","0.0002","13.6322","0.0003","111.239","0.002","93.668","0.002","105.441","0.002","1026.25","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0581","0.0437","","","0.1082","0.12","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202708","5.1139","0.0001","13.4807","0.0003","24.8362","0.0005","90","","90","","90","","1712.18","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1171","0.0501","","","0.0852","0.1036","","","","","","0.989","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202709","9.4877","0.0015","12.6863","0.0019","14.832","0.002","90","","90","","90","","1785.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1017","0.0481","","","0.1248","0.1545","","","","","","0.931","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202710","25.39","0.006","5.557","0.002","13.342","0.001","90","","93.826","0.014","90","","1878.3","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H20 N3 O0.5 -","- C23 H19 N3 O0.5 -","- C92 H76 N12 O2 -","4","1","","Smith, Nicole M.; Raston, Colin L.; Smith, Christopher B.; Sobolev, Alexandre N.","PEG mediated synthesis of amino-functionalised 2,4,6-triarylpyridines","Green Chemistry","2007","9","11","1185","","10.1039/b700893g","","","0.71073","MoKα","","0.1599","0.0905","","","0.2019","0.2378","","","","","","1.005","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202711","8.8927","0.0006","22.5574","0.0015","22.7642","0.0015","90","","95.59","0.002","90","","4544.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(La(BA)3(DMSO))n","","","- C23 H21 La O7 S -","- C23.0005 H21 La O7 S -","- C184.004 H168 La8 O56 S8 -","8","2","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1096","0.1055","","","0.2212","0.2228","","","","","","1.437","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202712","13.537","0.0003","15.4019","0.0004","17.2256","0.0004","69.58","0.001","73.354","0.001","71.91","0.001","3134.8","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly(tris(dimethylformamide)hexakis(3-nitrobenzoato)bis- lanthanum (iii)) DMF/H2O solvate","poly[tris(dimethylformamide)hexakis(3-nitrobenzoato)bis-lanthanum (III)] DMF/H2O solvate","","- C54 H58 La2 N10 O29 -","- C54 H58 La2 N10 O29 -","- C108 H116 La4 N20 O58 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0333","0.0294","","","0.0654","0.0671","","","","","","1.135","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202713","16.4013","0.001","9.6954","0.0005","20.2097","0.0011","90","","108.461","0.002","90","","3048.3","0.3","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly((aqua)(dimethylsulphoxide)tris(4- nitrobenzoato)lanthanum(iii)) DMSO solvate","poly[(aqua)(dimethylsulphoxide)tris(4-nitrobenzoato)lanthanum(III)] DMSO solvate","","- C25 H26 La N3 O15 S2 -","- C25 H26 La N3 O15 S2 -","- C100 H104 La4 N12 O60 S8 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0859","0.0511","","","0.0812","0.0988","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202714","9.6514","0.0004","21.4458","0.0005","15.9922","0.0003","90","","95.028","0.001","90","","3297.36","0.17","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","poly((aqua)(dimethylsulphoxide)tris(3- methoxybenzoato)lanthanum (iii)), DMSO solvate.","poly[(aqua)(dimethylsulphoxide)tris(3-methoxybenzoato)lanthanum (III)], DMSO solvate.","","- C28 H35 La O12 S2 -","- C28 H35 La O12 S2 -","- C112 H140 La4 O48 S8 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0632","0.0365","","","0.0785","0.0881","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202715","9.6002","0.0002","11.3814","0.0002","14.8606","0.0003","95.295","0.001","101.131","0.001","95.719","0.001","1574.87","0.05","123","1","123","1","","","","","","","","5","P -1","-P 1","2","HB18DMSO","","","- C29 H35 La O14 S -","- C29 H35 La O14 S -","- C58 H70 La2 O28 S2 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.023","0.0218","","","0.0516","0.0525","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202716","9.633","0.0003","10.038","0.0003","32.5121","0.0008","86.171","0.001","89.509","0.001","75.716","0.001","3039.7","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly((bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum).DMSO.H2O)","poly{[bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum].DMSO.H2O}","","- C54 H66 La2 O24 S3 -","- C54 H64 La2 O24 S3 -","- C108 H128 La4 O48 S6 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0834","0.0465","","","0.1022","0.1172","","","","","","1.023","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202717","11.5323","0.0002","33.7471","0.0006","9.5791","0.0003","90","","104.326","0.001","90","","3612.08","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((aqua)(dimethylformamide)tris(4- ethoxybenzoato)lanthanum(iii))","[(aqua)(dimethylformamide)tris(4-ethoxybenzoato)lanthanum(III)]","","- C33 H43 La N2 O12 -","- C33 H43 La N2 O12 -","- C132 H172 La4 N8 O48 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.083","0.0371","","","0.0798","0.0939","","","","","","0.959","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202718","20.0604","0.0003","17.4169","0.0002","23.1887","0.0003","90","","114.945","0.001","90","","7346.1","0.18","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((La3(BA)9(DMF)3).DMF)n","","","- C75 H73 La3 N4 O22 -","- C75 H73 La3 N4 O22 -","- C300 H292 La12 N16 O88 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0663","0.0396","","","0.0788","0.0863","","","","","","1.024","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202719","15.4745","0.0001","21.8201","0.0002","22.9482","0.0002","90","","106.962","0.001","90","","7411.5","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(La3(2-MeBA)9(DMF)2)n","","","- C78 H74 La3 N2 O20 -","- C78 H77 La3 N2 O20 -","- C312 H308 La12 N8 O80 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0621","0.0458","","","0.0838","0.0881","","","","","","1.167","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202720","9.6022","0.0002","9.9801","0.0002","16.1375","0.0003","106.171","0.001","94.743","0.001","101.49","0.001","1439.75","0.05","123","1","123","1","","","","","","","","5","P -1","-P 1","2","poly((aqua)(dimethylsulphoxide)tris(3- methylbenzoato)lanthanum(iii)) water solvate","poly[(aqua)(dimethylsulphoxide)tris(3-methylbenzoato)lanthanum(III)] water solvate","","- C26 H31 La O9 S -","- C26 H31 La O9 S -","- C52 H62 La2 O18 S2 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0464","0.0345","","","0.0736","0.0774","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202721","8.2424","0.0003","12.3545","0.0006","16.3741","0.0009","79.625","0.003","87.983","0.003","82.373","0.003","1625.51","0.13","123","1","123","1","","","","","","","","4","P -1","-P 1","2","poly(tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(iii)) 3-methylbenzoic acid solvate","poly[tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(III)] 3- methylbenzoic acid solvate","","- C36 H33 La O9 -","- C36 H32.5 La O9 -","- C72 H65 La2 O18 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1288","0.0959","","","0.2267","0.2566","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202722","25.5545","0.0002","19.5508","0.0002","16.9228","0.0002","90","","118.495","0.001","90","","7430.59","0.15","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(bis(dimethylsulphoxide)tris(2,4,6- trimethylbenzoato)lanthanum (iii))","bis[bis(dimethylsulphoxide)tris(2,4,6-trimethylbenzoato)lanthanum (III)]","","- C68 H90 La2 O16 S4 -","- C68 H90 La2 O16 S4 -","- C272 H360 La8 O64 S16 -","4","0.5","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.087","0.045","","","0.1004","0.1136","","","","","","1.039","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202723","22.1543","0.0018","16.1425","0.0013","9.6019","0.0007","90","","93.077","0.003","90","","3428.9","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","poly((dimethylsulphoxide)tris(4-tert- butylbenzoato)lanthanum(iii))","poly[(dimethylsulphoxide)tris(4-tert-butylbenzoato)lanthanum(III)]","","- C35 H45 La O7 S -","- C35 H45 La O7 S -","- C140 H180 La4 O28 S4 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1913","0.1868","","","0.4019","0.404","","","","","","1.272","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202724","24.9553","0.0011","8.0474","0.0003","30.679","0.0013","90","","90","","90","","6161.1","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","poly((dimethylformamide)tris(2- aminomethylbenzoato)lanthanum(iii)) DMF solvate","poly[(dimethylformamide)tris(2-aminomethylbenzoato)lanthanum(III)] DMF solvate","","- C30 H38 La N5 O8 -","- C30 H38 La N5 O8 -","- C240 H304 La8 N40 O64 -","8","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.149","0.1324","","","0.2328","0.2389","","","","","","1.468","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202725","9.9777","0.0001","13.9145","0.0002","13.9532","0.0002","70.295","0.001","82.314","0.001","75.908","0.001","1766.03","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","poly((aqua)(dimethylsulphoxide)tris(3- nitrobenzoato)lanthanum(iii)) bis DMSO solvate","poly[(aqua)(dimethylsulphoxide)tris(3-nitrobenzoato)lanthanum(III)] bis DMSO solvate","","- C27 H32 La N3 O16 S3 -","- C26.996 H32 La N3 O16 S3 -","- C53.992 H64 La2 N6 O32 S6 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.037","0.0277","","","0.0593","0.0626","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202730","17.028","0.004","16.175","0.004","33.771","0.007","90","","100.799","0.004","90","","9137","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H84 Cl4 Co2 N24 O24 -","- C80 H84 Cl4 Co2 N24 O24 -","- C320 H336 Cl16 Co8 N96 O96 -","4","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1027","0.0617","","","0.1545","0.1828","","","","","","1.033","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202731","16.992","0.003","15.164","0.003","17.489","0.003","90","","90","","90","","4506.3","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O7 S -","- C20 H20 Co N6 O7 S -","- C160 H160 Co8 N48 O56 S8 -","8","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1085","0.0692","","","0.1518","0.1715","","","","","","1.113","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202732","24","0.02","15.522","0.016","16.523","0.017","90","","133.517","0.003","90","","4464","7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Co2 N16 O14 -","- C40 H40 Co2 N16 O14 -","- C160 H160 Co8 N64 O56 -","4","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.0659","0.0545","","","0.1183","0.1229","","","","","","1.094","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202733","10.5491","0.0016","14.136","0.002","16.082","0.003","87.483","0.003","86.253","0.003","89.096","0.003","2390.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cd Cl2 N12 O12 -","- C40 H42 Cd Cl2 N12 O12 -","- C80 H84 Cd2 Cl4 N24 O24 -","2","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1581","0.0543","","","0.0996","0.1366","","","","","","1.002","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202734","25.284","0.0003","25.284","0.0003","12.1961","0.0003","90","","90","","120","","6752.2","0.2","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C93 H97 Cu3 N9 O26 -","- C93 H87 Cu3 N9 O21 -","- C279 H261 Cu9 N27 O63 -","3","0.333333","","Jeong, Kyung Seok; Kim, Sun Young; Oh, Youjin; Min, Dong Won; Kim, Jaheon; Jeong, Nakcheol","A chiral trianglular coordination complex derived from (S,S)-1,2-dimethoxy-di-4-(2?-carboxyl-5?-pyridyl)phenyl ethane and Cu(ii) by self-assembly","CrystEngComm","2007","9","4","273","","10.1039/b701121k","","","0.71073","MoKα","","0.0984","0.059","","","0.1464","0.1598","","","","","","1.039","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202735","20.8688","0.0006","18.5411","0.0005","9.8944","0.0003","90","","94.905","0.001","90","","3814.42","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd2 N10 S6 -","- C34 H30 Cd2 N10 S6 -","- C136 H120 Cd8 N40 S24 -","4","1","","Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui","Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework","CrystEngComm","2007","9","5","345","","10.1039/b701229b","","","0.71073","MoKα","","0.0219","0.0169","","","0.0419","0.0429","","","","","","1.139","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202736","41.046","0.0008","4.5649","0.0005","7.978","0.004","90","","90","0.002","90","","1494.8","0.8","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C30 H34 N6 O2 S2 -","- C30 H34 N6 O2 S2 -","- C60 H68 N12 O4 S4 -","2","0.25","","Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui","Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework","CrystEngComm","2007","9","5","345","","10.1039/b701229b","","","0.71073","MoKα","","0.1038","0.0764","","","0.2074","0.2333","","","","","","1.115","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202737","6.7781","0.0009","13.5566","0.0018","26.631","0.004","90","","90","","90","","2447.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-ethyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-ethyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.0731","0.0419","","","0.0942","0.1066","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202738","14.569","0.004","25.121","0.007","6.7399","0.0019","90","","96.743","0.005","90","","2449.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-4-(2-(9-methyl carbazol-3-yl)vinyl)pyridinium 2- methyl-5-nitro benzenesulfonate","N-methyl-4-[2-(9-methyl carbazol-3-yl)vinyl]pyridinium 2-methyl-5-nitro benzenesulfonate","","- C28 H25 N3 O5 S -","- C28 H25 N3 O5 S -","- C112 H100 N12 O20 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.1072","0.0506","","","0.1049","0.1262","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202739","6.6773","0.0006","14.0015","0.0015","24.593","0.002","90","","90","","90","","2299.3","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-methyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-methyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.119","0.0628","","","0.0929","0.1077","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202740","5.8976","0.0005","5.8184","0.0005","23.7875","0.0019","90","","90.573","0.001","90","","816.22","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn -","- C7 H5 N O6 Zn -","- C28 H20 N4 O24 Zn4 -","4","1","","Wu, Wei-Ping; Wang, Yao-Yu; Wu, Ya-Pan; Liu, Jian-Qiang; Zeng, Xi-Rui; Shi, Qi-Zhen; Peng, Shie-Ming","Hydro(solvo)thermal synthesis, structures, luminescence of 2-D zinc(ii) and 1-D copper(ii) complexes constructed from pyridine-2,6-dicarboxylic acid N-oxide and decarboxylation of the ligand","CrystEngComm","2007","9","9","753","","10.1039/b701384a","","","0.71073","MoKα","","0.0524","0.0358","","","0.091","0.0958","","","","","","1.038","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202741","3.39","0.0007","12.59","0.003","12.17","0.002","90","","94.18","0.03","90","","518.04","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O6 -","- C12 H8 Cu N2 O6 -","- C24 H16 Cu2 N4 O12 -","2","0.5","","Wu, Wei-Ping; Wang, Yao-Yu; Wu, Ya-Pan; Liu, Jian-Qiang; Zeng, Xi-Rui; Shi, Qi-Zhen; Peng, Shie-Ming","Hydro(solvo)thermal synthesis, structures, luminescence of 2-D zinc(ii) and 1-D copper(ii) complexes constructed from pyridine-2,6-dicarboxylic acid N-oxide and decarboxylation of the ligand","CrystEngComm","2007","9","9","753","","10.1039/b701384a","","","0.71073","MoKα","","0.0257","0.0238","","","0.073","0.0738","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202743","24.016","0.003","7.4363","0.0006","11.1585","0.001","90","","97.587","0.012","90","","1975.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Me4N+, [Ni(tfadt)2]-","","","- C12 H12 F6 N3 Ni S4 -","- C12 H12 F6 N3 Ni S4 -","- C48 H48 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1059","0.0648","","","0.1766","0.1992","","","","","","0.993","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202744","7.6741","0.0006","18.8293","0.0019","16.2154","0.0019","90","","97.86","0.01","90","","2321.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Et4N+, [Ni(tfadt)2]-","","","- C16 H20 F6 N3 Ni S4 -","- C16 H8 F6 N3 Ni S4 -","- C64 H32 F24 N12 Ni4 S16 -","4","1","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1336","0.0472","","","0.0999","0.1231","","","","","","0.795","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202745","16.384","0.003","7.7447","0.0015","19.192","0.004","90","","90","","90","","2435.3","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Et4N+, Ni(tfadt)2-","","","- C16 H20 F6 N3 Ni S4 -","- C16 F6 N3 Ni S4 -","- C64 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1686","0.0806","","","0.2238","0.2721","","","","","","0.793","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202746","8.141","0.0005","14.8045","0.001","9.7157","0.0006","90","","101.931","0.001","90","","1145.67","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.087","0.064","","","0.153","0.166","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202747","8.105","0.0008","10.9411","0.001","11.9874","0.0012","90","","90.821","0.002","90","","1062.9","0.18","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.067","0.052","","","0.13","0.139","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202748","7.1307","0.0006","19.8847","0.0017","8.2842","0.0006","90","","99.827","0.001","90","","1157.4","0.16","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.059","0.044","","","0.113","0.121","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202749","16.017","0.004","10.324","0.003","12.342","0.003","90","","104.048","0.005","90","","1979.8","0.9","293","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.1249","0.0476","","","0.0933","0.1214","","","","","","0.979","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202750","10.177","0.002","11.855","0.002","13.009","0.003","100.42","0.03","100.3","0.03","115.33","0.03","1336","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 Cl3 Cu I N4 O0.5 -","- C29 H18 Cl3 Cu I N4 O0.5 -","- C58 H36 Cl6 Cu2 I2 N8 O -","2","1","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0835","0.0646","","","0.1598","0.1783","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202751","17.163","0.01","15.442","0.009","12.133","0.007","90","","113.534","0.008","90","","2948","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H56 Cd N10 O10 -","- C64 H56 Cd N10 O10 -","- C128 H112 Cd2 N20 O20 -","2","0.25","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0562","0.0471","","","0.132","0.1423","","","","","","1.033","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202752","8.302","0.002","25.713","0.007","9.153","0.003","90","","102.842","0.005","90","","1905","0.9","294","2","294","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C31 H21 Ag B Cl9 F4 N4 O0 -","- C31 H21 Ag B Cl9 F4 N4 -","- C62 H42 Ag2 B2 Cl18 F8 N8 -","2","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.1659","0.0938","","","0.2454","0.2899","","","","","","1.05","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202753","23.438","0.005","16.481","0.003","7.9237","0.0016","90","","93.64","0.03","90","","3054.6","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Ag Cl6 N5 O3 -","- C30 H20 Ag Cl6 N5 O3 -","- C120 H80 Ag4 Cl24 N20 O12 -","4","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0778","0.0709","","","0.2012","0.2095","","","","","","1.074","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202754","9.0079","0.0016","12.129","0.002","14.031","0.002","110.672","0.002","100.713","0.003","98.948","0.003","1367.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H38 Cl8 Mn N8 -","- C58 H36 Cl8 Mn N8 -","- C58 H36 Cl8 Mn N8 -","1","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0979","0.0594","","","0.1451","0.1704","","","","","","1.025","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202755","12.586","0.005","16.546","0.007","26.9","0.012","90","","99.338","0.01","90","","5528","4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 N4 S2 -","- C22 H40 N4 S2 -","- C176 H320 N32 S16 -","8","2","","Custelcean, Radu; Engle, Nancy L.; Bonnesen, Peter V.","Crystalline hydrogen-bonded nanocolumns of cyclic thiourea octamers","CrystEngComm","2007","9","6","452","","10.1039/b701570d","","","0.71073","MoKα","","0.1558","0.0696","","","0.1388","0.163","","","","","","0.864","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202759","13.8208","0.0014","6.8015","0.0006","16.8268","0.0016","90","","103.653","0.002","90","","1537.1","0.3","571","2","571","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N6 O4 Zn -","- C12 H10 N6 O4 Zn -","- C48 H40 N24 O16 Zn4 -","4","0.5","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0321","0.03","","","0.0879","0.0895","","","","","","1.077","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202760","16.202","0.004","12.591","0.003","11.488","0.003","90","","90.283","0.004","90","","2343.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N8 O8 Zn2 -","- C20 H16 N8 O8 Zn2 -","- C80 H64 N32 O32 Zn8 -","4","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0488","0.0428","","","0.123","0.1374","","","","","","1.109","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202761","10.3273","0.0008","15.0682","0.0012","19.0674","0.0015","90","","90","","90","","2967.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 O4 Zn -","- C13 H14 N4 O4 Zn -","- C104 H112 N32 O32 Zn8 -","8","2","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0261","0.0246","","","0.0613","0.0622","","","","","","1.056","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202762","6.7562","0.0003","13.1951","0.0007","33.5642","0.0017","90","","94.263","0.001","90","","2983.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N12 O9 Zn2 -","- C24 H22 N12 O9 Zn2 -","- C96 H88 N48 O36 Zn8 -","4","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0548","0.0478","","","0.1117","0.116","","","","","","1.078","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202763","6.8528","0.0004","7.1459","0.0004","14.3017","0.0008","100.991","0.001","91.827","0.001","94.104","0.001","685","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N4 O4 Zn -","- C12 H12 N4 O4 Zn -","- C24 H24 N8 O8 Zn2 -","2","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.022","0.0215","","","0.0571","0.0574","","","","","","1.044","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202764","18.91","0.0016","5.9777","0.0006","17.2465","0.0017","90","","96.236","0.004","90","","1938","0.3","90","1","90","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.0743","0.0495","","","0.1178","0.1337","","","","","","1.002","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202765","43.6174","0.0015","5.9652","0.0002","7.4612","0.0003","90","","90","","90","","1941.3","0.12","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.1055","0.0508","","","0.0946","0.1136","","","","","","0.955","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202766","23.76","0.002","6.0368","0.0005","13.6085","0.0012","90","","101.123","0.003","90","","1915.3","0.3","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","0.5","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.0522","0.0416","","","0.1078","0.1177","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202767","6.86","0.002","13.404","0.005","22.474","0.009","90","","90","","90","","2066.5","1.3","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H13 N5 O12 -","- C19 H13 N5 O12 -","- C76 H52 N20 O48 -","4","1","","Balevicius, Vytautas; Bariseviciute, Ruta; Aidas, Kestutis; Svoboda, Ingrid; Ehrenberg, Helmut; Fuess, Hartmut","Proton transfer in hydrogen-bonded pyridine/acid systems: the role of higher aggregation.","Physical chemistry chemical physics : PCCP","2007","9","24","3181","3189","10.1039/b701775h","","","0.71073","MoKα","","0.0729","0.042","","","0.0913","0.1078","","","","","","0.952","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202768","7.9642","0.001","9.1534","0.0012","10.9628","0.0014","84.746","0.002","79.247","0.002","79.584","0.002","770.83","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 Zn -","- C15 H15 N3 O5 Zn -","- C30 H30 N6 O10 Zn2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0575","0.0471","","","0.124","0.138","","","","","","1.101","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202769","8.486","0.004","9.551","0.004","16.351","0.006","90","","97.79","0.02","90","","1313","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 B F4.17 N3 O2 Zn0.5 -","- C11 H11 B F4.18 N3 O2 Zn0.5 -","- C44 H44 B4 F16.72 N12 O8 Zn2 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.1225","0.0667","","","0.1511","0.1757","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202770","7.805","0.003","13.773","0.006","13.362","0.004","90","","119.81","0.017","90","","1246.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 N3 O Zn -","- C11 H9 Cl2 N3 O Zn -","- C44 H36 Cl8 N12 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.1586","0.1014","","","0.1876","0.204","","","","","","1.174","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202771","7.8782","0.001","8.2339","0.001","9.8945","0.0012","93.223","0.002","98.037","0.002","112.535","0.002","582.76","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cd0.5 N4 O4 -","- C11 H9 Cd0.5 N4 O4 -","- C22 H18 Cd N8 O8 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0306","0.0304","","","0.0807","0.081","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202772","10.2806","0.001","22.399","0.002","15.2443","0.0011","90","","124.862","0.004","90","","2880.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd N8 O8 -","- C22 H18 Cd N8 O8 -","- C88 H72 Cd4 N32 O32 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0982","0.0871","","","0.1957","0.1996","","","","","","1.289","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202773","8.738","0.004","9.491","0.004","15.969","0.007","90","","92.922","0.007","90","","1322.6","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 N3 O Zn -","- C11 H9 Cl2 N3 O Zn -","- C44 H36 Cl8 N12 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0438","0.0341","","","0.083","0.0884","","","","","","0.894","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202774","6.203","0.003","6.7961","0.0012","6.998","0.002","90","0.017","90","0.03","90","0.03","295.01","0.17","293","2","293","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- C4 H6 Cu O5 -","- C4 H6 Cu O5 -","- C8 H12 Cu2 O10 -","2","0.5","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0385","0.0352","","","0.0862","0.0872","","","","","","1.09","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202775","6.2854","0.0002","16.4373","0.0006","7.0129","0.0002","90","","92.594","0.002","90","","723.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Cu N O4 -","- C6 H6 Cu N O4 -","- C24 H24 Cu4 N4 O16 -","4","1","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0382","0.03","","","0.0704","0.0738","","","","","","0.906","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202776","7.2395","0.0004","19.4035","0.0014","7.3889","0.0003","90","0.005","91.844","0.005","90","0.005","1037.39","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu N O5 -","- C9 H10 Cu N O5 -","- C36 H40 Cu4 N4 O20 -","4","1","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0921","0.0597","","","0.1035","0.1145","","","","","","1.052","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202777","14.144","0.003","14.144","0.003","3.8148","0.0007","90","","90","","90","","763.2","0.3","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 1","","","- C10 H6 Cl6 Hg N2 -","- C10 H6 Cl6 Hg N2 -","- C20 H12 Cl12 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0397","0.03","","","0.0735","0.0798","","","","","","1.018","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202778","14.147","0.002","14.147","0.002","3.8871","0.0008","90","","90","","90","","778","0.2","293","2","293","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","Compound 2","","","- C10 H6 Br4 Cl2 Hg N2 -","- C10 H6 Br4 Cl2 Hg N2 -","- C20 H12 Br8 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0268","0.0233","","","0.0507","0.0516","","","","","","0.99","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202779","14.1357","0.0007","14.1357","0.0007","3.9721","0.0003","90","","90","","90","","793.7","0.08","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 3a","","","- C14 H18 Cl2 Hg N2 -","- C14 H18 Cl2 Hg N2 -","- C28 H36 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0236","0.0197","","","0.0487","0.0497","","","","","","1.172","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202780","3.996","0.0009","20.203","0.004","16.572","0.004","90","","95.292","0.005","90","","1332.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3b","","","- C14 H18 Cl8 Hg4 N2 -","- C14 H18 Cl8 Hg4 N2 -","- C28 H36 Cl16 Hg8 N4 -","2","0.5","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.07","0.0411","","","0.0896","0.0994","","","","","","1.025","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202781","4.0533","0.0009","17.987","0.004","13.77","0.003","90","","90.315","0.005","90","","1003.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C5 H3 Br2 Cl2 Hg N -","- C5 H3 Br2 Cl2 Hg N -","- C20 H12 Br8 Cl8 Hg4 N4 -","4","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0709","0.0412","","","0.0893","0.0996","","","","","","1.009","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202782","4.0004","0.0011","14.637","0.004","14.682","0.004","86.845","0.005","84.25","0.005","82.925","0.005","848.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 5","","","- C10 H6 Br6 Hg N2 -","- C10 H6 Br6 Hg N2 -","- C20 H12 Br12 Hg2 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.1286","0.057","","","0.1063","0.129","","","","","","0.958","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202783","8.0661","0.0008","8.8122","0.0008","12.985","0.0012","79.354","0.002","86.643","0.002","74.281","0.003","873.13","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 6","","","- C14 H18 Br2 Hg N2 -","- C14 H18 Br2 Hg N2 -","- C28 H36 Br4 Hg2 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0955","0.0521","","","0.1049","0.1221","","","","","","1.017","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202784","30.27","0.007","4.2661","0.001","18.671","0.004","90","","115.47","0.004","90","","2176.7","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 7","","","- C5 H3 Cl2 Hg I2 N -","- C5 H3 Cl2 Hg I2 N -","- C40 H24 Cl16 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0433","0.0341","","","0.0689","0.0716","","","","","","1.037","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202785","31.509","0.004","4.3075","0.0005","19.009","0.002","90","","115.703","0.002","90","","2324.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 8","","","- C5 H3 Br2 Hg I2 N -","- C5 H3 Br2 Hg I2 N -","- C40 H24 Br16 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0583","0.0386","","","0.0767","0.0824","","","","","","1.03","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202786","31.055","0.003","4.3117","0.0004","19.1185","0.0018","90","","115.52","0.002","90","","2310.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 9a","","","- C7 H9 Hg I2 N -","- C7 H9 Hg I2 N -","- C56 H72 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0724","0.0418","","","0.0919","0.1025","","","","","","0.987","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202787","8.2309","0.0006","9.1784","0.0007","13.092","0.001","79.229","0.003","88.173","0.003","74.877","0.003","937.83","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 9b","","","- C14 H18 Hg I2 N2 -","- C14 H18 Hg I2 N2 -","- C28 H36 Hg2 I4 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0944","0.0456","","","0.0886","0.1042","","","","","","0.968","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202789","9.1435","0.0016","11.0699","0.0019","15.513","0.003","80.882","0.003","80.403","0.003","86.436","0.003","1527.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 F12 Hg N11 O2 P2 -","- C20 H21 F12 Hg N11 O2 P2 -","- C40 H42 F24 Hg2 N22 O4 P4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0367","0.0304","","","0.0747","0.0768","","","","","","1.05","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202790","8.6944","0.0006","13.1067","0.0011","13.2853","0.0009","77.141","0.006","87.457","0.007","77.036","0.006","1438.31","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 F12 Hg N10 O2 P2 -","- C18 H18 F12 Hg N10 O2 P2 -","- C36 H36 F24 Hg2 N20 O4 P4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0617","0.0529","","","0.122","0.125","","","","","","1.212","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202791","8.6505","0.0004","12.0994","0.0005","12.9051","0.0006","81.206","0.001","77.8","0.001","87.34","0.001","1304.56","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 B2 F8 Hg N10 O2 -","- C18 H18 B2 F8 Hg N10 O2 -","- C36 H36 B4 F16 Hg2 N20 O4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0291","0.0271","","","0.0803","0.0816","","","","","","1.046","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202792","18.305","0.002","11.4053","0.0013","7.8859","0.0009","90","","91.556","0.002","90","","1645.8","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Ag F6 N10 O4 P S2 -","- C22 H34 Ag F6 N10 O4 P S2 -","- C44 H68 Ag2 F12 N20 O8 P2 S4 -","2","0.5","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0893","0.0468","","","0.1364","0.1675","","","","","","1.065","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202793","5.3605","0.0003","8.1395","0.0004","8.8621","0.0005","84.19","0.004","73.687","0.005","88.389","0.005","369.2","0.04","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","1","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0228","0.0205","","","0.0591","0.0597","","","","","","1.113","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202794","7.5615","0.0006","9.542","0.0008","19.8392","0.0016","90","","90","","90","","1431.4","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 Cl4 N2 -","- C12 H12 Cl4 N2 -","- C48 H48 Cl16 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0684","0.0344","","","0.0643","0.0935","","","","","","0.892","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202795","7.5938","0.0002","9.5918","0.0003","20.0837","0.0007","90","","90","","90","","1462.86","0.08","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C56 H72 Cl8 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0243","0.0209","","","0.05","0.0505","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202796","8.1288","0.0006","8.0393","0.0005","45.532","0.003","90","","90","","90","","2975.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C112 H144 Cl16 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0774","0.0434","","","0.0992","0.1254","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202797","16.221","0.002","16.221","0.002","6.7461","0.0012","90","","90","","90","","1775","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C16 H22 Cl2 N2 O2 -","- C16 H22 Cl2 N2 O2 -","- C64 H88 Cl8 N8 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.1268","0.0739","","","0.1799","0.2093","","","","","","1.004","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202798","14.938","0.002","5.2272","0.0008","13.1403","0.0016","90","","109.792","0.013","90","","965.4","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 Cl6 N2 O3 -","- C12 H16 Cl6 N2 O3 -","- C24 H32 Cl12 N4 O6 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0673","0.0284","","","0.0504","0.0541","","","","","","0.789","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202799","21.716","0.0018","21.6971","0.0016","7.6449","0.0006","90","","93.524","0.006","90","","3595.3","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Cl8 N8 O4 -","- C24 H42 Cl8 N8 O4 -","- C96 H168 Cl32 N32 O16 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0982","0.0345","","","0.0689","0.0834","","","","","","0.769","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202800","29.02","0.003","7.2098","0.0007","7.345","0.0007","90","","94.869","0.008","90","","1531.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 F8 N2 O2 -","- C12 H10 Cl2 F8 N2 O2 -","- C48 H40 Cl8 F32 N8 O8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0421","0.0265","","","0.0664","0.0747","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202801","12.8813","0.0006","7.2351","0.0002","15.5983","0.0008","90","","101.215","0.004","90","","1425.96","0.11","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl F8 N2 O -","- C13 H9 Cl F8 N2 O -","- C52 H36 Cl4 F32 N8 O4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0301","0.0241","","","0.0709","0.0721","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202802","10.7907","0.0004","8.9839","0.0004","23.175","0.0008","90","","90","","90","","2246.64","0.15","104","2","104","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H4 F8 N2 -","- C12 H4 F8 N2 -","- C96 H32 F64 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.04","0.0273","","","0.0802","0.0823","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202803","23.811","0.006","6.1672","0.0014","4.9037","0.0013","90","","100.84","0.02","90","","707.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C28 H36 Cl4 N4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.034","0.0284","","","0.0732","0.0747","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202804","12.336","0.003","13.411","0.003","22.475","0.005","76.27","0.03","75.26","0.03","67.95","0.03","3290.9","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H34 La4 N8 O40 -","- C58 H26 La4 N8 O40 -","- C116 H52 La8 N16 O80 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0446","0.0278","","","0.0735","0.0889","","","","","","1.038","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202805","12.275","0.003","13.386","0.003","22.313","0.005","76.23","0.03","75.33","0.03","68.03","0.03","3247","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H34 N8 O40 Pr4 -","- C58 H26 N8 O40 Pr4 -","- C116 H52 N16 O80 Pr8 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0454","0.0346","","","0.0985","0.1064","","","","","","1.096","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202806","9.798","0.002","10.729","0.002","13.238","0.003","94.33","0.03","102.05","0.03","115.42","0.03","1207.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 La N3 O14 -","- C21 H11 La N3 O14 -","- C42 H22 La2 N6 O28 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0587","0.0474","","","0.1305","0.1353","","","","","","0.999","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202807","9.978","0.002","10.9","0.002","13.237","0.003","74.72","0.03","78.43","0.03","62.9","0.03","1230.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 O16 Pr -","- C21 H11 N3 O16 Pr -","- C42 H22 N6 O32 Pr2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0458","0.0425","","","0.1145","0.1171","","","","","","1.114","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202808","9.885","0.002","10.786","0.002","13.178","0.003","94.95","0.03","101.36","0.03","116.45","0.03","1208.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 Nd O16 -","- C21 H11 N3 Nd O16 -","- C42 H22 N6 Nd2 O32 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0424","0.0383","","","0.1067","0.1128","","","","","","0.937","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202809","8.6638","0.0017","9.3886","0.0019","13.781","0.003","85.33","0.03","78.1","0.03","74.43","0.03","1056.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Sm -","- C21 H11 N3 O12 Sm -","- C42 H22 N6 O24 Sm2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0472","0.0363","","","0.0946","0.109","","","","","","1.065","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202810","8.6559","0.0017","9.3993","0.0019","13.812","0.003","85.16","0.03","78.16","0.03","74.51","0.03","1059.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Eu N3 O12 -","- C21 H11 Eu N3 O12 -","- C42 H22 Eu2 N6 O24 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0238","0.0219","","","0.0639","0.0808","","","","","","1.082","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202811","8.6598","0.0017","9.3878","0.0019","13.796","0.003","85.1","0.03","78.24","0.03","74.21","0.03","1056.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Tb -","- C21 H11 N3 O12 Tb -","- C42 H22 N6 O24 Tb2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0318","0.0293","","","0.1037","0.1074","","","","","","1.078","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202812","8.6712","0.0017","9.3753","0.0019","13.804","0.003","84.93","0.03","77.99","0.03","73.92","0.03","1054.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Ho N3 O12 -","- C21 H11 Ho N3 O12 -","- C42 H22 Ho2 N6 O24 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0253","0.0228","","","0.0737","0.0794","","","","","","1.042","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202813","8.6721","0.0017","9.3671","0.0019","13.849","0.003","84.74","0.03","77.93","0.03","73.63","0.03","1054.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Yb -","- C21 H11 N3 O12 Yb -","- C42 H22 N6 O24 Yb2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0504","0.0392","","","0.1123","0.1346","","","","","","1.066","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202814","12.277","0.002","16.356","0.002","23.341","0.004","90","","90","","90","","4686.9","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Cl O3 P2 -","- C24 H25 Cl O3 P2 -","- C192 H200 Cl8 O24 P16 -","8","1","","Mátyás Czugler; Tamás Körtvélyesi; László Fábián; Melinda Sipos; György Keglevich","Intra- and intermolecular interactions and water pincer in the crystal structure of a 3-P(O)Ph2 substituted 1,2,3,6-tetrahydrophosphinine oxide hydrate","CrystEngComm","2007","9","7","561","","10.1039/b702137b","","","0.7107","MoKα","","0.0466","0.0368","","","0.0979","0.1021","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202815","13.941","0.003","15.075","0.003","15.075","0.003","82.15","0.03","87.23","0.03","87.23","0.03","3132","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cu2 N2 O8 -","- C38 H24 Cu2 N2 O8 -","- C76 H48 Cu4 N4 O16 -","2","1","","Pichon, Anne; Fierro, Claudio Mendicute; Nieuwenhuyzen, Mark; James, Stuart L.","A pillared-grid MOF with large pores based on the Cu2(O2CR)4 paddle-wheel","CrystEngComm","2007","9","6","449","","10.1039/b702176c","","","0.71073","MoKα","","0.2103","0.1425","","","0.3683","0.4106","","","","","","1.088","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202816","8.6425","0.0017","13.656","0.003","11.778","0.002","90","","109.65","0.03","90","","1309.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1191","0.0597","","","0.1321","0.1508","","","","","","0.947","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202817","13.241","0.003","7.9263","0.0016","13.576","0.003","90","","110.66","0.03","90","","1333.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.0722","0.0482","","","0.1292","0.1378","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202818","7.6682","0.0006","12.761","0.001","16.8947","0.0012","90","","90","","90","","1653.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N3 O6 -","- C14 H18 Cl N3 O6 -","- C56 H72 Cl4 N12 O24 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.088","0.0675","","","0.1912","0.2157","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202819","10.0234","0.0017","10.8158","0.0018","14.61","0.002","90","","99.832","0.003","90","","1560.6","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C56 H72 N16 O20 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.0441","0.0354","","","0.0977","0.1021","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202820","14.118","0.003","16.665","0.003","25.163","0.005","90","","90","","90","","5920","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N6 O6 S -","- C28 H32 N6 O6 S -","- C224 H256 N48 O48 S8 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1799","0.0532","","","0.1272","0.1567","","","","","","0.797","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202821","11.659","0.002","12.283","0.003","21.669","0.004","90","","90","","90","","3103.2","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl N3 O5 -","- C14 H16 Cl N3 O5 -","- C112 H128 Cl8 N24 O40 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1432","0.0567","","","0.1642","0.1922","","","","","","0.85","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202824","14.2158","0.0004","14.2158","0.0004","9.4244","0.0002","90","","90","","120","","1649.4","0.07","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.06","0.0575","","","0.2134","0.2173","","","","","","1.257","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202825","14.311","0.002","14.311","0.002","9.5165","0.0019","90","","90","","120","","1687.9","0.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3'-diol-H)cobalt(iii)","","","- C30 H21 Co N6 O6 -","- C30 H21 Co N6 O6 -","- C60 H42 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.1372","0.1321","","","0.454","0.4634","","","","","","2.358","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202826","14.1281","0.0003","14.1281","0.0003","9.4484","0.0002","90","","90","","120","","1633.26","0.06","30","2","30","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0798","0.0628","","","0.1927","0.2086","","","","","","1.102","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202827","14.2706","0.0005","14.2706","0.0005","9.4516","0.0004","90","","90","","120","","1666.94","0.11","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) 1,2- dibromobenzene clathrate","","","- C36 H25 Br2 Co N6 O6 -","- C36 H21 Br2.04 Co N6 O6 -","- C72 H42 Br4.08 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0694","0.0495","","","0.125","0.1378","","","","","","1.054","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202828","13.1259","0.0003","13.1259","0.0003","22.2808","0.0006","90","","90","","90","","3838.74","0.16","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","(2,2'-bipyridine-3,3'-diol -H)chlorocopper(ii)","","","- C10 H7 Cl Cu N2 O2 -","- C10 H7 Cl Cu N2 O2 -","- C160 H112 Cl16 Cu16 N32 O32 -","16","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0467","0.0364","","","0.0887","0.0949","","","","","","1.074","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202829","13.2775","0.0001","13.2775","0.0001","22.4184","0.0003","90","","90","","90","","3952.18","0.07","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","(2,2'-bipyridine-3,3'-diol-H)bromocopper(ii)","","","- C10 H7 Br Cu N2 O2 -","- C10 H7 Br Cu N2 O2 -","- C160 H112 Br16 Cu16 N32 O32 -","16","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0562","0.0539","","","0.1403","0.1413","","","","","","1.287","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202830","9.196","0.0002","10.6603","0.0003","11.4383","0.0003","90","","103.196","0.001","90","","1091.71","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(2,2'-bipyridine-3,3'-diol-H)nitrocopper(ii)","","","- C10 H7 Cu N3 O5 -","- C10 H7 Cu N3 O5 -","- C40 H28 Cu4 N12 O20 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0376","0.0342","","","0.0944","0.0973","","","","","","1.035","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202831","6.4055","0.0013","9.589","0.002","13.479","0.005","78.22","0.03","86.37","0.03","73.407","0.015","776.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 F4 I2 N O2 -","- C13 H7 F4 I2 N O2 -","- C26 H14 F8 I4 N2 O4 -","2","1","","Russo, Luca; Biella, Serena; Lahtinen, Manu; Liantonio, Rosalba; Metrangolo, Pierangelo; Resnati, Giuseppe; Rissanen, Kari","Solution stoichiometry determines crystal stoichiometry in halogen-bonded supramolecular complexes","CrystEngComm","2007","9","5","341","","10.1039/b702512m","","","0.71073","MoKα","","0.0385","0.027","","","0.0415","0.0459","","","","","","1.118","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202832","4.1581","0.0004","10.7974","0.0008","12.7958","0.0019","91.102","0.011","97.913","0.012","90.912","0.008","568.81","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F4 I2 N2 O4 -","- C20 H14 F4 I2 N2 O4 -","- C20 H14 F4 I2 N2 O4 -","1","0.5","","Russo, Luca; Biella, Serena; Lahtinen, Manu; Liantonio, Rosalba; Metrangolo, Pierangelo; Resnati, Giuseppe; Rissanen, Kari","Solution stoichiometry determines crystal stoichiometry in halogen-bonded supramolecular complexes","CrystEngComm","2007","9","5","341","","10.1039/b702512m","","","0.71073","MoKα","","0.022","0.0163","","","0.0365","0.0404","","","","","","1.179","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202833","14.3627","0.0014","7.0254","0.0007","16.8441","0.0016","90","","98.104","0.002","90","","1682.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Hg N6 S2 -","- C14 H10 Hg N6 S2 -","- C56 H40 Hg4 N24 S8 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0174","0.0172","","","0.0425","0.0425","","","","","","1.102","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202834","16.1971","0.0007","12.6635","0.0005","7.7778","0.0003","90","","95.58","0.001","90","","1587.76","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Hg N6 S2 -","- C14 H10 Hg N6 S2 -","- C56 H40 Hg4 N24 S8 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0241","0.022","","","0.0481","0.0553","","","","","","1.139","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202835","4.9173","0.0004","23.3133","0.0017","12.9459","0.0009","90","","93.332","0.001","90","","1481.59","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 -","- C12 H10 Br2 Hg N4 -","- C48 H40 Br8 Hg4 N16 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0295","0.0241","","","0.0532","0.0548","","","","","","1.041","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202836","8.3698","0.0011","14.932","0.002","11.9038","0.0016","90","","90","","90","","1487.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Br2 Hg N4 -","- C12 H10 Br2 Hg N4 -","- C48 H40 Br8 Hg4 N16 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0323","0.0292","","","0.0761","0.0777","","","","","","1.059","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202837","4.0783","0.0008","9.1943","0.0017","11.753","0.002","87.235","0.003","88.002","0.003","85.696","0.003","438.73","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 Br2 Hg N2 -","- C6 H5 Br2 Hg N2 -","- C12 H10 Br4 Hg2 N4 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0428","0.0408","","","0.1015","0.1026","","","","","","1.112","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202840","6.7478","0.0003","10.4917","0.0003","11.4993","0.0005","64.737","0.001","87.555","0.002","73.999","0.002","705.08","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Ag2 N7 O6 -","- C11 H8 Ag2 N7 O6 -","- C22 H16 Ag4 N14 O12 -","2","1","","Zhang, Jian; Shen, Yi-Cheng; Qin, Ye-Yan; Li, Zhao-Ji; Yao, Yuan-Gen","Polycatenated 3-connected hydrogen-bonding bilayer stabilized by argentophilic interactions","CrystEngComm","2007","9","8","636","","10.1039/b702972a","","","0.71073","MoKα","","","0.0246","","","0.06","0.0633","","","","","","1.108","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202841","5.2737","0.001","11.658","0.002","7.7995","0.0015","90","","94.07","0.015","90","","478.31","0.15","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-aminoethane sulfonic acid","2-aminoethane sulfonic acid","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Beukes, J. A.; Mo, F.; van Beek, W.","X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study.","Physical chemistry chemical physics : PCCP","2007","9","33","4709","4720","10.1039/b703000b","","x-ray","0.71","Synchrotron","","0.0353","0.0326","","","0.0905","0.0921","","","","","","1.101","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202842","5.2815","0.0011","11.644","0.002","7.9276","0.0016","90","","94.09","0.03","90","","486.29","0.16","296","1","296","1","","","100","","","","Commercial","5","P 1 21/c 1","-P 2ybc","14","2-aminoethane sulfonic acid","2-aminoethane sulfonic acid","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","","Beukes, J. A.; Mo, F.; van Beek, W.","X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study.","Physical chemistry chemical physics : PCCP","2007","9","33","4709","4720","10.1039/b703000b","","x-ray","0.7256","Synchrotron","","0.0445","0.0324","","","0.0897","0.1017","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202843","8.5166","0.0014","10.879","0.0018","16.006","0.003","90","","103","0.003","90","","1445","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3-methyl-1-(tetrahydro-2H-pyran-2-ylmethyl)-1H-imidazol-3-ium trifluoromethanesulfonate","","","- C11 H17 F3 N2 O4 S -","- C11 H17 F3 N2 O4 S -","- C44 H68 F12 N8 O16 S4 -","4","1","","Leclercq, Loïc; Suisse, Isabelle; Nowogrocki, Guy; Agbossou-Niedercorn, Francine","Halide-free highly-pure imidazolium triflate ionic liquids: Preparation and use in palladium-catalysed allylic alkylation","Green Chemistry","2007","9","10","1097","","10.1039/b703096g","","","0.71073","MoKα","","0.0394","0.035","","","0.0933","0.0968","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202844","8.6516","0.0015","10.1699","0.0017","12.195","0.002","87.354","0.003","85.474","0.003","83.36","0.003","1061.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3-methyl-1-(4-(1-methyl-1H-imidazol-3-ium-3-yl)butyl)-1H- imidazol-3-ium bis(trifluoromethanesulfonate)","","","- C14 H20 F6 N4 O6 S2 -","- C14 H20 F6 N4 O6 S2 -","- C28 H40 F12 N8 O12 S4 -","2","1","","Leclercq, Loïc; Suisse, Isabelle; Nowogrocki, Guy; Agbossou-Niedercorn, Francine","Halide-free highly-pure imidazolium triflate ionic liquids: Preparation and use in palladium-catalysed allylic alkylation","Green Chemistry","2007","9","10","1097","","10.1039/b703096g","","","0.71073","MoKα","","0.0394","0.0341","","","0.089","0.0927","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202845","9.5883","0.0013","9.7729","0.0013","19.198","0.003","85.627","0.002","88.693","0.002","88.563","0.002","1792.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1-methyl-3-(tetrahydrofuran-3-ylmethyl)-1H-imidazol-3-ium trifluoromethanesulfonate / tetrabuthylammonium trifluoromethanesulfonate","","","- C27 H51 F6 N3 O7 S2 -","- C27 H51 F6 N3 O7 S2 -","- C54 H102 F12 N6 O14 S4 -","2","1","","Leclercq, Loïc; Suisse, Isabelle; Nowogrocki, Guy; Agbossou-Niedercorn, Francine","Halide-free highly-pure imidazolium triflate ionic liquids: Preparation and use in palladium-catalysed allylic alkylation","Green Chemistry","2007","9","10","1097","","10.1039/b703096g","","","0.71073","MoKα","","0.0786","0.0578","","","0.157","0.1722","","","","","","1.124","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202846","12.148","0.001","12.386","0.002","22.901","0.004","87.67","0.01","87.14","0.01","83.88","0.01","3419.7","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.2866","0.07","","","0.0608","0.0936","","","","","","0.82","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202847","12.257","0.001","12.423","0.001","23.024","0.004","87.52","0.01","86.01","0.01","83.46","0.01","3472.4","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.2128","0.0729","","","0.1585","0.1931","","","","","","1.117","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202848","12.401","0.002","12.239","0.004","23.312","0.006","87.29","0.02","83.32","0.02","82.89","0.02","3485.2","1.6","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.3251","0.0604","","","0.0877","0.1174","","","","","","1","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202849","25.512","0.0005","25.512","0.0005","12.9978","0.0004","90","","90","","90","","8459.8","0.4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C69 H103 Ba Cl9 O20 U -","- C69 H98 Ba Cl9 O20 U -","- C276 H392 Ba4 Cl36 O80 U4 -","4","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0543","0.0456","","","0.1198","0.1238","","","","","","0.982","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202850","25.358","0.001","12.341","0.0009","23.866","0.0015","90","","114.062","0.004","90","","6819.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H80 Ba O18 U -","- C74 H80 Ba O18 U -","- C296 H320 Ba4 O72 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0765","0.0599","","","0.1524","0.1601","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202851","13.4804","0.0006","29.3642","0.0017","21.7965","0.0012","90","","92.601","0.003","90","","8619.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H78 Ba Br6 Cl6 O26 U2 -","- C70 H78 Ba Br6 Cl6 O26 U2 -","- C280 H312 Ba4 Br24 Cl24 O104 U8 -","4","1","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.1189","0.0772","","","0.2277","0.2441","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202852","15.223","0.003","18.754","0.003","16.684","0.003","90","","106.362","0.009","90","","4570.2","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Ba2 O22 S4 U2 -","- C78 H96 Ba2 O22 S4 U2 -","- C156 H192 Ba4 O44 S8 U4 -","2","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0954","0.0661","","","0.1727","0.1852","","","","","","0.939","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202853","12.0923","0.0007","24.6602","0.0009","25.5672","0.0016","90","","103.061","0.003","90","","7426.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H216 K4 O48 U2 -","- C132 H216 K4 O48 U2 -","- C264 H432 K8 O96 U4 -","2","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0785","0.0505","","","0.1124","0.1208","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202854","11.508","0.0014","19.262","0.002","20.466","0.002","108.102","0.002","104.842","0.002","91.297","0.002","4142.3","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Cl2 N7 O16 Zn -","- C35 H42 Cl2 N7 O16 Zn -","- C140 H168 Cl8 N28 O64 Zn4 -","4","2","","Song, Hui-Hua; Ma, Bao-Qing","A well-resolved discrete dodecameric water cluster in a metal‒organic complex","CrystEngComm","2007","9","8","625","","10.1039/b703185h","","","0.71073","MoKα","","0.1147","0.0528","","","0.1174","0.1405","","","","","","0.942","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202855","16.5938","0.0007","15.1034","0.0006","18.0112","0.0004","90","","90","","90","","4514","0.3","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H44 Cu N4 O27 U2 -","- C32 H36 Cu N4 O27 U2 -","- C128 H144 Cu4 N16 O108 U8 -","4","1","","Pierre Thuéry","Uranyl citrate dimers as guests in a copper?bipyridine framework: a novel heterometallic inorganic?organic hybrid compound","CrystEngComm","2007","9","5","358","","10.1039/b703227g","","","0.71073","MoKα","","0.0537","0.0472","","","0.1201","0.1232","","","","","","1.086","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202856","12.7819","0.0006","12.7819","0.0006","85.294","0.004","90","","90","","120","","12068.1","1","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C42 H72 N Nd7 O61 -","- C42 H40 N Nd7 O60 -","- C252 H240 N6 Nd42 O360 -","6","0.5","","Pierre Thuéry","Neodymium(iii) d(?)-citramalate: a chiral three-dimensional framework with water-filled channels","CrystEngComm","2007","9","6","460","","10.1039/b703230g","","","0.71073","MoKα","","0.081","0.0516","","","0.1146","0.1266","","","","","","0.993","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202857","6.7431","0.0005","8.0503","0.0006","13.8001","0.001","77.722","0.003","88.476","0.002","66.354","0.002","669.09","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","5-Chloro-2(3H)-benzoxazolone 2,4-dihydroxybenzoic acid","5-Chloro-2(3H)-benzoxazolone 2,4-dihydroxybenzoic acid","","- C14 H10 Cl N O6 -","- C14 H10 Cl N O6 -","- C28 H20 Cl2 N2 O12 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of chlorzoxazone with carboxylic acids","CrystEngComm","2007","9","5","364","","10.1039/b703292g","","","1.54178","CuKα","","0.0465","0.0413","","","0.0991","0.1023","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202859","41.574","0.008","5.7944","0.0011","16.876","0.003","90","","109.095","0.003","90","","3841.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Co N4 O12 -","- C42 H42 Co N4 O12 -","- C168 H168 Co4 N16 O48 -","4","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1319","0.0634","","","0.1524","0.1945","","","","","","1.008","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202860","13.931","0.002","21.777","0.002","35.14","0.006","90","","90","","90","","10661","3","294","2","294","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H28 Co N3 O7 -","- C27 H28 Co N3 O7 -","- C432 H448 Co16 N48 O112 -","16","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.7107","MoKα","","0.0764","0.0721","","","0.137","0.1386","","","","","","1.307","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202861","4.7808","0.0016","9.229","0.003","18.829","0.007","91.954","0.006","95.509","0.006","99.022","0.005","815.7","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Co N4 O10 -","- C38 H30 Co N4 O10 -","- C38 H30 Co N4 O10 -","1","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0757","0.0544","","","0.1299","0.145","","","","","","1.104","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202862","7.6417","0.0019","10.106","0.003","10.638","0.003","93.557","0.004","101.146","0.004","101.551","0.004","785.4","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Co2 N2 O18 -","- C28 H36 Co2 N2 O18 -","- C28 H36 Co2 N2 O18 -","1","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0686","0.0384","","","0.083","0.0958","","","","","","1.025","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202863","11.2742","0.0008","11.2742","0.0008","13.5885","0.0019","90","","90","","120","","1495.8","0.3","294","2","294","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C19 H18 N2 Ni O7 -","- C19 H18 N2 Ni O7 -","- C57 H54 N6 Ni3 O21 -","3","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0367","0.0303","","","0.0697","0.0718","","","","","","1.044","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202864","13.8794","0.0018","21.611","0.004","35.005","0.005","90","","90","","90","","10500","3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H28 N3 Ni O7 -","- C27 H28 N3 Ni O7 -","- C432 H448 N48 Ni16 O112 -","16","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0809","0.0622","","","0.1363","0.1447","","","","","","1.169","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202865","8.116","0.002","12.279","0.003","16.009","0.004","69.271","0.004","86.078","0.004","79.166","0.004","1465.5","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O11 Zn2 -","- C30 H26 N2 O11 Zn2 -","- C60 H52 N4 O22 Zn4 -","2","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1307","0.0533","","","0.0911","0.1223","","","","","","1.031","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202866","30.931","0.008","9.8752","0.0013","20.37","0.003","90","","149.31","0.006","90","","3175.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 N O5.5 Zn -","- C16.5 H16 N O5.5 Zn -","- C132 H128 N8 O44 Zn8 -","8","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.7107","MoKα","","0.0549","0.0464","","","0.1222","0.1296","","","","","","1.085","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202867","20.595","0.004","15.012","0.003","10.363","0.002","90","","93.967","0.004","90","","3196.3","1.1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 N O5.5 Zn -","- C16.5 H16 N O5.5 Zn -","- C132 H128 N8 O44 Zn8 -","8","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1035","0.0432","","","0.0763","0.0948","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202868","12.8373","0.0014","11.8355","0.0013","16.975","0.002","90","","90","","90","","2579.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.2955","0.0523","","","0.0918","0.1452","","","","","","0.799","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202869","6.7539","0.0009","9.3441","0.0012","11.4902","0.0015","89.773","0.003","81.497","0.003","88.363","0.003","716.87","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br Cu N3 O2 -","- C14 H12 Br Cu N3 O2 -","- C28 H24 Br2 Cu2 N6 O4 -","2","1","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.1337","0.0491","","","0.0835","0.1028","","","","","","0.752","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202870","12.598","0.004","18.483","0.006","10.818","0.004","90","","90","","90","","2519","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H24 N6 O4 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.1166","0.0512","","","0.0691","0.0788","","","","","","0.889","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202877","8.827","0.003","11.675","0.004","21.16","0.007","96.847","0.006","100.776","0.006","102.133","0.006","2065.6","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Ru(tpypy)2Ag(NO3)(MeCN)](NO3)2.H2O.MeCN","","","- C44 H36 Ag N13 O10 Ru -","- C46 H31 Ag N12 O10 Ru -","- C92 H62 Ag2 N24 O20 Ru2 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Price, David J.","The first example of a coordination polymer from the expanded 4,4'-bipyridine ligand [Ru(pytpy)~2~]^2+^(pytpy = 4'-(4-pyridyl)-2,2':6',2''-terpyridine)","CrystEngComm","2007","9","6","456","459","10.1039/b703622a","","","0.71073","MoKα","","0.0622","0.0465","","","0.1289","0.1399","","","","","","1.041","","","","has coordinates","275106","2022-05-06","14:46:46",""
"7202881","9.2018","0.0018","12.148","0.002","24.678","0.005","84.98","0.03","84.63","0.03","70.99","0.03","2591.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Cl2 Cu2 N10 O15 -","- C44 H56 Cl2 Cu2 N10 O15 -","- C88 H112 Cl4 Cu4 N20 O30 -","2","1","","Zhang, Jian-Ying; Liu, Cai-Ming; Zhang, De-Qing; Gao, Song; Zhu, Dao-Ben","Magnetic properties tuned by oxamido bridging ligand derivatives in two new hybrid organic inorganic nitronyl nitroxide copper(ii) complexes","CrystEngComm","2007","9","9","799","","10.1039/b704127f","","","0.71073","MoKα","","0.092","0.0607","","","0.1502","0.1633","","","","","","0.942","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202882","16.254","0.003","13.211","0.003","11.776","0.002","90","","108.4","0.03","90","","2399.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cl2 Cu2 N10 O14 -","- C42 H52 Cl2 Cu2 N10 O14 -","- C84 H104 Cl4 Cu4 N20 O28 -","2","0.5","","Zhang, Jian-Ying; Liu, Cai-Ming; Zhang, De-Qing; Gao, Song; Zhu, Dao-Ben","Magnetic properties tuned by oxamido bridging ligand derivatives in two new hybrid organic inorganic nitronyl nitroxide copper(ii) complexes","CrystEngComm","2007","9","9","799","","10.1039/b704127f","","","0.71073","MoKα","","0.0924","0.0615","","","0.1604","0.1805","","","","","","1.032","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202883","13.0204","0.001","20.3203","0.0014","15.8814","0.0011","90","","90","","90","","4201.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H34 N4 O17 Zn2 -","- C44 H32 N4 O17 Zn2 -","- C176 H128 N16 O68 Zn8 -","4","0.5","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0894","","","0.2378","0.2753","","","","","","1.099","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202884","13.017","0.002","12.495","0.0014","14.208","0.002","90","","108.619","0.007","90","","2189.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18.66 N2 O10.33 Zn2 -","- C20 H18 N2 O10.33 Zn2 -","- C80 H72 N8 O41.32 Zn8 -","4","1","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0513","","","0.1292","0.1376","","","","","","1.026","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202885","8.3945","0.0007","10.2207","0.0009","18.3523","0.0017","104.241","0.002","101.498","0.002","92.684","0.002","1487.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Cd3 N8 O20 -","- C60 H50 Cd3 N8 O20 -","- C60 H50 Cd3 N8 O20 -","1","0.5","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.1039","","","0.2013","0.2315","","","","","","1.111","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202886","11.5513","0.0004","12.2888","0.0004","13.3152","0.0005","64.541","0.001","72.497","0.001","62.539","0.001","1501.83","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22.67 Cd2 N4 O8.34 -","- C34 H22 Cd2 N4 O8.33 -","- C68 H44 Cd4 N8 O16.66 -","2","1","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.047","","","0.1415","0.1586","","","","","","1.006","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202887","9.424","0.018","14.37","0.03","15.4","0.03","90","","104.87","0.06","90","","2016","7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H60 N8 O34 Zn8 -","- C80 H52 N8 O34 Zn8 -","- C80 H52 N8 O34 Zn8 -","1","0.25","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0482","","","0.1286","0.1374","","","","","","1.097","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202888","5.9566","0.00013","7.0989","0.00015","7.1164","0.00015","109.5","0.017","98.39","0.017","114.69","0.017","243","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- H4 I Na O2 -","- H4 I Na O2 -","- H8 I2 Na2 O4 -","2","1","","Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","Energy aspect of the chemical bonding peculiarities in the crystal of sodium iodide dihydrate","CrystEngComm","2007","9","8","632","","10.1039/b704326k","","","0.71073","MoKα","","0.0173","0.0166","","","0.0425","0.043","","","","","","0.993","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202891","16.634","0.002","16.634","0.002","11.234","0.002","90","","90","","120","","2691.9","0.7","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C84 H99 N15 Ni3 O27 -","- C57.012 H33.012 N6 Ni3 O18 -","- C57.012 H33.012 N6 Ni3 O18 -","1","0.0833333","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Jianfang; Sun, Chunyan","Design and construction of a microporous metal?organic framework based on the pillared-layer motif","CrystEngComm","2007","9","7","545","","10.1039/b704433j","","","0.71073","MoKα","","0.0505","0.0472","","","0.1188","0.1206","","","","","","1.086","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202892","16.609","0.002","16.609","0.002","14.325","0.003","90","","90","","120","","3422.3","0.9","293","2","293","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C15 H17 N2 Ni O8 -","- C15 H17 N2 Ni O8 -","- C90 H102 N12 Ni6 O48 -","6","0.25","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Jianfang; Sun, Chunyan","Design and construction of a microporous metal?organic framework based on the pillared-layer motif","CrystEngComm","2007","9","7","545","","10.1039/b704433j","","","0.71073","MoKα","","0.0586","0.0511","","","0.1416","0.1469","","","","","","1.193","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202893","7.2636","0.0018","10.409","0.003","11.639","0.003","100.486","0.003","101.062","0.003","95.619","0.003","841.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9.5 Ag Eu N2.5 O9 -","- C17 H6 Ag Eu N2.5 O9 -","- C34 H12 Ag2 Eu2 N5 O18 -","2","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0319","0.0308","","","0.0787","0.0794","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202894","7.35","0.003","10.453","0.004","11.652","0.004","100.265","0.005","101.038","0.004","96.057","0.005","855.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9.5 Ag N2.5 Nd O9 -","- C17 H6 Ag N2.5 Nd O9 -","- C34 H12 Ag2 N5 Nd2 O18 -","2","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0708","0.0515","","","0.1171","0.1282","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202895","20.07","0.004","8.8346","0.0019","22.339","0.005","90","","90","","90","","3960.9","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag N3 Nd O7.5 -","- C18 H11 Ag N3 Nd O7.5 -","- C144 H88 Ag8 N24 Nd8 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0599","0.0338","","","0.0721","0.0818","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202896","19.954","0.002","8.8187","0.0009","22.344","0.002","90","","90","","90","","3931.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag Eu N3 O7.5 -","- C18 H11 Ag Eu N3 O7.5 -","- C144 H88 Ag8 Eu8 N24 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0303","0.0231","","","0.0553","0.0584","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202897","4.229","0.0008","14.112","0.003","23.312","0.005","90","","90","","90","","1391.3","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F3 I2 N -","- C13 H6 F3 I2 N -","- C52 H24 F12 I8 N4 -","4","1","","André C. B. Lucassen; Tatiana Zubkov; Linda J. W. Shimon; Milko E. van der Boom","Design, synthesis and crystal structure of a multiple donor?acceptor halogen bonded stilbazole: assembly of unimolecular interconnected helices","CrystEngComm","2007","9","7","538","","10.1039/b704569g","","","0.71073","MoKα","","0.0382","0.0294","","","0.0588","0.0613","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202898","24.2053","0.0005","3.7445","0.0001","20.9542","0.0007","90","","121.315","0.0011","90","","1622.55","0.08","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Pyridyl)malondialdehyde Sesquihydrate","","- C8 H10 N O3.5 -","- C8 H10 N O3.5 -","- C64 H80 N8 O28 -","8","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, Jim A.; Halcrow, Malcolm A.","Zwitterionic 2-(4-pyridyl)malondialdehyde sesquihydrate forms a helical, 3-D hydrogen-bonded lattice","CrystEngComm","2007","9","5","361","","10.1039/b704626j","","","0.71073","MoKα","","0.0753","0.0534","","","0.136","0.1556","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202899","9.6313","0.0009","10.9526","0.001","11.6996","0.0012","66.761","0.009","79.294","0.008","68.581","0.009","1054.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 F6 N2 P -","- C21 H21 F6 N2 P -","- C42 H42 F12 N4 P2 -","2","1","","Ruiz, Blanca; Coe, Benjamin J.; Gianotti, Reto; Gramlich, Volker; Jazbinsek, Mojca; Günter, Peter","Polymorphism, crystal growth and characterization of an organic nonlinear optical material: DAPSH","CrystEngComm","2007","9","9","772","","10.1039/b704737a","","","0.71073","MoKα","","0.108","0.0861","","","0.2592","0.2887","","","","","","1.106","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202900","23.264","0.002","7.6256","0.001","35.89","0.004","90","","105.85","0.009","90","","6124.9","1.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 F6 N2 O0 P -","- C21 H21 F6 N2 P -","- C252 H252 F72 N24 P12 -","12","3","","Ruiz, Blanca; Coe, Benjamin J.; Gianotti, Reto; Gramlich, Volker; Jazbinsek, Mojca; Günter, Peter","Polymorphism, crystal growth and characterization of an organic nonlinear optical material: DAPSH","CrystEngComm","2007","9","9","772","","10.1039/b704737a","","","0.71073","MoKα","","0.3874","0.1553","","","0.3409","0.4715","","","","","","0.969","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202906","7.0693","0.0002","9.4904","0.0003","17.7697","0.0004","90","","90.844","0.002","90","","1192.05","0.06","120","2","120","2","","","","","","","Pepe","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 B9 Co -","- C7 H16 B9 Co -","- C28 H64 B36 Co4 -","4","1","","Planas, José Giner; Viñas, Clara; Teixidor, Francesc; Light, Mark E.; Hursthouse, Michael B.","Polymorphism and phase transformations in cobaltacarborane molecular crystals","CrystEngComm","2007","9","10","888","","10.1039/b704833e","","","0.71073","MoKα","","0.038","0.0318","","","0.0942","0.1005","","","","","","1.017","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202909","11.5009","0.0008","9.8934","0.0005","14.9322","0.0011","90","","112.168","0.001","90","","1573.44","0.18","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.7107","MoKα","","0.0425","0.0389","","","0.091","0.0939","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202910","10.146","0.002","17.455","0.002","12.088","0.002","90","","110.9","0.02","90","","1999.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","","- C24 H26 O4 -","- C24 H25.364 O4 -","- C96 H101.456 O16 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.71073","MoKα","","0.0915","0.0532","","","0.1282","0.1452","","","","","","0.937","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202911","10.263","0.004","12.628","0.004","17.701","0.006","93.276","0.004","96.005","0.003","107.958","0.005","2160.6","1.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","2","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.7107","MoKα","","0.066","0.048","","","0.1308","0.1392","","","","","","1.102","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202913","16.035","0.005","19.797","0.005","24.936","0.005","90","0.005","104.979","0.005","90","0.005","7647","3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C79 H122 Na2 O7 -","- C79 H122 Na2 O7 -","- C316 H488 Na8 O28 -","4","1","","Chen, Hsuan-Ying; Zhang, Jubo; Lin, Chu-Chieh; Reibenspies, Joseph H.; Miller, Stephen A.","Efficient and controlled polymerization of lactide under mild conditions with a sodium-based catalyst","Green Chemistry","2007","9","10","1038","","10.1039/b705622b","","","0.71073","MoKα","","0.0806","0.0631","","","0.1693","0.1963","","","","","","1.099","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202914","5.9129","0.0007","13.4826","0.0016","15.6657","0.0018","72.973","0.002","79.228","0.002","83.562","0.002","1170.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0972","0.0607","","","0.138","0.1688","","","","","","1.049","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202915","36.231","0.003","5.5605","0.0005","12.3394","0.0011","90","","92.661","0.002","90","","2483.2","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0453","0.0417","","","0.1031","0.1057","","","","","","1.039","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202916","36.599","0.006","5.6822","0.0009","12.545","0.002","90","","90.891","0.003","90","","2608.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H34 N2 O3 -","- C30 H33 N2 O3 -","- C120 H132 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.1499","0.0779","","","0.1861","0.2262","","","","","","1.043","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202917","36.751","0.008","5.6734","0.0012","12.304","0.003","90","","90.865","0.007","90","","2565.1","1","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H29 N2 O3 -","- C31 H35 N2 O3 -","- C124 H140 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.115","0.0874","","","0.229","0.2541","","","","","","1.024","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202918","12.2472","0.0013","5.6733","0.0006","20.771","0.002","90","","105.388","0.002","90","","1391.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C64 H76 N4 O6 -","2","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0649","0.0547","","","0.1117","0.117","","","","","","1.036","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202919","7.7477","0.0008","18.698","0.002","5.7744","0.0006","90","","90","","90","","836.52","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0259","0.0244","","","0.0614","0.062","","","","","","1.044","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202920","9.3424","0.0011","6.7836","0.0008","13.9741","0.0017","90","","100.688","0.002","90","","870.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0359","0.0279","","","0.0712","0.076","","","","","","1.098","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202921","9.3365","0.0011","6.7815","0.0008","13.9607","0.0016","90","","100.704","0.002","90","","868.55","0.18","153","1","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0323","0.0256","","","0.0639","0.0675","","","","","","1.008","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202922","7.6827","0.0006","18.7212","0.0014","5.7833","0.0004","90","","90","","90","","831.81","0.11","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0213","0.0207","","","0.0554","0.0556","","","","","","1.089","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202923","8.3945","0.0008","15.806","0.0016","14.8833","0.0015","90","","100.332","0.002","90","","1942.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Co N3 O11 -","- C15 H22 Co N3 O11 -","- C60 H88 Co4 N12 O44 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1179","0.1298","","","","","","1.006","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202924","8.8363","0.0013","10.4211","0.0016","10.8556","0.0016","78.769","0.003","75.255","0.003","68.71","0.003","894.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Co N3 O10 -","- C15 H20 Co N3 O10 -","- C30 H40 Co2 N6 O20 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.1037","0.065","","","0.1573","0.1989","","","","","","1.067","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202925","14.887","0.0013","11.8596","0.001","13.9457","0.0012","90","","115.344","0.001","90","","2225.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Co N3 O12 -","- C19 H26 Co N3 O12 -","- C76 H104 Co4 N12 O48 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.0564","0.0451","","","0.102","0.1067","","","","","","1.087","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202926","14.228","0.002","14.831","0.003","14.954","0.003","61.237","0.003","79.335","0.003","66.117","0.003","2529.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H37 Co2 N6 O28 -","- C38 H37 Co2 N6 O28 -","- C76 H74 Co4 N12 O56 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.1492","0.0913","","","0.2158","0.2563","","","","","","1.05","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202927","7.4425","0.0011","14.654","0.002","14.796","0.003","114.311","0.01","102.45","0.011","95.86","0.014","1402.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Co N2 O20 -","- C20 H32 Co N2 O20 -","- C40 H64 Co2 N4 O40 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0923","0.0615","","","0.1331","0.1532","","","","","","1.217","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202928","8.4119","0.0014","8.5298","0.0009","13.321","0.003","85.328","0.011","76.027","0.014","80.489","0.013","913.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Co N2 O12 -","- C15 H21 Co N2 O12 -","- C30 H42 Co2 N4 O24 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0692","0.0368","","","0.0665","0.0738","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202929","7.6523","0.0008","9.522","0.001","10.7629","0.0008","112.019","0.006","92.828","0.007","100.95","0.009","707.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N4 O14 -","- C30 H24 Co N4 O14 -","- C30 H24 Co N4 O14 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0319","0.0257","","","0.0607","0.0635","","","","","","1.133","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202930","10.9277","0.0009","11.1926","0.0006","12.7187","0.0009","90","","97.006","0.006","90","","1544","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Co N2 O9 -","- C15 H15 Co N2 O9 -","- C60 H60 Co4 N8 O36 -","4","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.1257","0.0594","","","0.0785","0.0923","","","","","","1.104","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202931","21.8492","0.0012","21.8492","0.0012","7.3635","0.0009","90","","90","","90","","3515.2","0.5","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Tetrakis-(4-sulfonatophenyl)methane","Tetrakis-(4-sulfonatophenyl)methane","","- C50 H32 O44 S8 -","- C50 H32 O44 S8 -","- C100 H64 O88 S16 -","2","0.125","","Sarma, Bipul; Nangia, Ashwini","Tetrakis(4-sulfophenyl)methane dodecahydrate. Reversible and selective water inclusion and release in an organic host","CrystEngComm","2007","9","8","628","","10.1039/b706194c","","","0.71073","MoKα","","0.1272","0.0818","","","0.1821","0.2067","","","","","","1.084","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202932","29.62","0.015","8.458","0.004","13.838","0.007","90","","90","","90","","3467","3","218","2","218","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H40 N4 O8 S8 Zn2 -","- C20 H40 N4 O8 S8 Zn2 -","- C80 H160 N16 O32 S32 Zn8 -","4","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.041","0.036","","","0.086","0.089","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202933","8.3821","0.0015","11.6432","0.0018","16.978","0.004","90","","102.926","0.005","90","","1615","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 O4 S8 Zn2 -","- C20 H39.14 N4 O4 S8 Zn2 -","- C40 H78.28 N8 O8 S16 Zn4 -","2","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.049","0.048","","","0.123","0.123","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202934","10.47","0.004","12.345","0.006","12.615","0.006","95.483","0.013","96.282","0.01","100.576","0.011","1582","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 N4 O5 S8 Zn2 -","- C17 H36 N4 O5 S8 Zn2 -","- C34 H72 N8 O10 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.087","0.069","","","0.151","0.163","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202935","11.249","0.004","13.214","0.005","15.581","0.006","105.335","0.003","105.092","0.004","93.881","0.005","2133.2","1.4","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N6 O8 S8 Zn2 -","- C30 H47.64 N6 O8 S8 Zn2 -","- C60 H95.28 N12 O16 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.07","0.05","","","0.106","0.118","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202936","11.074","0.006","13.249","0.005","15.35","0.006","104.546","0.007","107.095","0.015","92.74","0.008","2065.6","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N6 O4 S8 Zn2 -","- C30 H48 N6 O4 S8 Zn2 -","- C60 H96 N12 O8 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.064","0.059","","","0.162","0.168","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202937","9.5416","0.0018","11.309","0.002","11.418","0.002","75.64","0.004","73.016","0.004","85.238","0.004","1141.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 N6 O6 S8 Zn2 -","- C32 H56 N6 O6 S8 Zn2 -","- C32 H56 N6 O6 S8 Zn2 -","1","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.05","0.041","","","0.103","0.111","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202938","8.6591","0.0007","14.0066","0.0011","15.5984","0.0013","90","","97.409","0.002","90","","1876","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N6 O4 S8 Zn2 -","- C26 H40 N6 O4 S8 Zn2 -","- C52 H80 N12 O8 S16 Zn4 -","2","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.04","0.032","","","0.068","0.071","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202939","5.4669","0.0013","9.497","0.002","11.694","0.003","83.366","0.003","89.406","0.004","77.092","0.004","587.8","0.2","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O14 P4 -","- C14 H30 N4 O14 P4 -","- C14 H30 N4 O14 P4 -","1","0.5","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0579","0.0545","","","0.1569","0.1579","","","","","","1.172","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202940","7.0561","0.0006","9.9086","0.0008","13.0837","0.001","83.777","0.001","79.444","0.001","85.213","0.001","892.09","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N3 O8 P2 -","- C14 H19 N3 O8 P2 -","- C28 H38 N6 O16 P4 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0539","0.0482","","","0.1295","0.1356","","","","","","1.024","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202941","7.4045","0.0005","11.7344","0.0008","12.485","0.0008","74.149","0.001","85.389","0.001","72.903","0.001","997.42","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N3 O11 P3 -","- C13 H24 N3 O11 P3 -","- C26 H48 N6 O22 P6 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid–base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0388","0.035","","","0.0969","0.1004","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202942","7.2243","0.0005","12.3575","0.0008","13.2057","0.0009","80.957","0.001","89.559","0.001","78.953","0.001","1142.4","0.13","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H28 N3 O13 P3 -","- C15 H26 N3 O13 P3 -","- C30 H52 N6 O26 P6 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0398","0.0373","","","0.1062","0.1083","","","","","","1.058","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202943","7.596","0.006","12.988","0.011","20.897","0.017","100.891","0.011","95.406","0.01","95.522","0.01","2002","3","143.1","","","","","","","","","","","4","P -1","-P 1","2","4-Amino-1-(3,5-bis-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-benzyl)-1H-pyrimidin-2-one 2-amino-9-butyl-1,9- dihydro-purin-6-one","","","- C36 H52 N12 O7 -","- C36 H51 N12 O7 -","- C72 H102 N24 O14 -","2","1","","Tanaka, Hiroyuki; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Cytosine‒guanine base pairing in a hydrogen-bonded complex of stable open-shell molecules with S = 1 spins","CrystEngComm","2007","9","9","767","","10.1039/b706521n","","","0.7107","MoKα","","","0.0999","","","","0.2666","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202945","8.7001","0.0002","10.0485","0.0002","14.2342","0.0003","105.956","0.0012","94.3267","0.0012","107.717","0.0012","1122.38","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Ag Cl N2 O6 -","- C22 H22 Ag Cl N2 O6 -","- C44 H44 Ag2 Cl2 N4 O12 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0574","0.0355","","","0.0801","0.0892","","","","","","1.033","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202946","11.2181","0.0002","11.614","0.0001","13.7958","0.0002","77.7882","0.0005","81.4908","0.0005","76.7651","0.0005","1700.7","0.04","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H28 Ag F3 N4 O3 S -","- C41 H28 Ag F3 N4 O3 S -","- C82 H56 Ag2 F6 N8 O6 S2 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.036","0.0287","","","0.0686","0.0724","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202947","13.729","0.0002","17.3654","0.0002","8.5825","0.0004","90","","90","","90","","2046.15","0.1","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42 H32 Ag2 B2 F8 N4 O3 -","- C42 H32 Ag2 B2 F8 N4 O3 -","- C84 H64 Ag4 B4 F16 N8 O6 -","2","0.5","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0331","0.0307","","","0.0773","0.0794","","","","","","1.075","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202948","11.1133","0.0003","12.2933","0.0002","13.1444","0.0003","74.591","0.0014","83.1028","0.0011","74.0146","0.0012","1662.15","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 Ag F3 N4 O2 -","- C42 H28 Ag F3 N4 O2 -","- C84 H56 Ag2 F6 N8 O4 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.038","0.0317","","","0.0705","0.074","","","","","","1.039","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202949","13.3039","0.0002","7.0004","0.0001","21.1996","0.0004","90","","96.5097","0.0007","90","","1961.64","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Ag2 N4 O6 -","- C20 H14 Ag2 N4 O6 -","- C80 H56 Ag8 N16 O24 -","4","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0469","0.0357","","","0.0849","0.0908","","","","","","1.085","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202950","10.6509","0.0005","15.9095","0.0008","7.248","0.0004","90","","93.044","0.005","90","","1226.44","0.11","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Hg N14 O2 -","- C24 H16 Hg N14 O2 -","- C48 H32 Hg2 N28 O4 -","2","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0351","0.0303","","","0.0744","0.079","","","","","","1.033","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202951","34.493","0.004","5.921","0.0007","18.57","0.002","90","","121.566","0.001","90","","3231.4","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Hg N6 O S2 -","- C14 H8 Hg N6 O S2 -","- C112 H64 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0402","0.0312","","","0.0744","0.078","","","","","","1.008","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202952","11.4448","0.001","22.0985","0.0019","8.4069","0.0007","90","","100.226","0.002","90","","2092.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Hg2 I4 N4 O -","- C12 H8 Hg2 I4 N4 O -","- C48 H32 Hg8 I16 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0623","0.0505","","","0.1091","0.1137","","","","","","1.108","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202953","5.2468","0.0006","21.221","0.002","13.2169","0.0014","90","","96.837","0.002","90","","1461.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br2 Hg N4 O -","- C12 H8 Br2 Hg N4 O -","- C48 H32 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0406","0.0362","","","0.0887","0.091","","","","","","1.056","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202954","5.9134","0.0008","18.776","0.002","13.2924","0.0017","90","","101.608","0.002","90","","1445.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Hg N6 O5 -","- C12 H8 Hg N6 O5 -","- C48 H32 Hg4 N24 O20 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0262","0.024","","","0.0585","0.0595","","","","","","1.101","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202955","15.3004","0.0005","15.3004","0.0005","43.667","0.003","90","","90","","120","","8853","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H5 Mn43 Na17 O144 P36 -","- Mn43 Na17 O144 P36 -","- Mn129 Na51 O432 P108 -","3","0.166667","","Wang, Jingping; Bi, Dongqin; Niu, Jingyang","A three-dimensional heterocluster containing manganese clusters and hexanuclear sodium wheels","CrystEngComm","2007","9","9","740","","10.1039/b707476j","","","0.71073","MoKα","","0.0353","0.0307","","","0.0709","0.0731","","","","","","1.047","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202956","12.143","0.004","12.325","0.004","13.869","0.004","99.008","0.012","96.572","0.012","95.481","0.013","2022.9","1.1","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Au2 Cl4 F6 O4 P2 -","- C36 H28 Au2 Cl4 F6 O4 P2 -","- C72 H56 Au4 Cl8 F12 O8 P4 -","2","1","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0629","0.0558","","","0.1372","0.1424","","","","","","1.059","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202957","19.827","0.002","19.827","0.002","22.206","0.003","90","","90","","90","","8729.4","1.7","103","2","103","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C360 H272 Au16 Cl16 F48 N16 O32 P16 -","8","0.5","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0655","0.0634","","","0.136","0.1371","","","","","","1.207","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202958","10.0634","0.0014","21.126","0.003","22.728","0.004","90","","100.424","0.006","90","","4752.2","1.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94 H80 Au4 Cl4 F12 N4 O12 P4 -","- C94 H80 Au4 Cl4 F12 N4 O12 P4 -","- C188 H160 Au8 Cl8 F24 N8 O24 P8 -","2","0.5","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0486","0.0386","","","0.0801","0.0841","","","","","","1.037","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202959","6.7981","0.0008","7.1085","0.0009","9.5555","0.001","71.489","0.011","84.54","0.009","69.982","0.012","411.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia","New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers","CrystEngComm","2007","9","9","735","","10.1039/b707581b","","","0.71073","MoKα","","0.0701","0.0306","","","0.0546","0.0592","","","","","","0.74","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202960","9.7381","0.001","25.655","0.003","13.6416","0.0014","90","","105.04","0.009","90","","3291.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7-amino-4-methylcoumarin","7-amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C160 H144 N16 O32 -","16","2","","Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia","New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers","CrystEngComm","2007","9","9","735","","10.1039/b707581b","","","0.71073","MoKα","","0.1079","0.0513","","","0.114","0.133","","","","","","0.96","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202961","11.9869","0.001","12.7263","0.001","13.6184","0.0011","88.244","0.001","75.796","0.001","77.068","0.001","1962.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 Eu N4 O14 S3 -","- C39 H25 Eu N4 O14 S3 -","- C78 H50 Eu2 N8 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0354","0.031","","","0.0782","0.0799","","","","","","0.992","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202962","11.9725","0.001","12.7153","0.001","13.5923","0.0011","88.299","0.001","75.855","0.001","77.128","0.001","1955.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 Gd N4 O14 S3 -","- C39 H25 Gd N4 O14 S3 -","- C78 H50 Gd2 N8 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.034","0.0297","","","0.0741","0.0755","","","","","","1.007","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202963","12.048","0.001","12.767","0.001","13.6822","0.0011","88.259","0.001","75.781","0.001","77.032","0.001","1987.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 N4 Nd O14 S3 -","- C39 H25 N4 Nd O14 S3 -","- C78 H50 N8 Nd2 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0603","0.0374","","","0.0823","0.0918","","","","","","1.158","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202964","12.175","0.003","12.937","0.003","13.847","0.003","88.391","0.003","76.116","0.003","77.176","0.003","2063.7","0.8","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 N4 O14 S3 Tb -","- C39 H25 N4 O14 S3 Tb -","- C78 H50 N8 O28 S6 Tb2 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0431","0.0319","","","0.0773","0.0833","","","","","","1.045","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202965","10.7529","0.0013","12.5987","0.0015","13.7199","0.0016","83.876","0.002","68.643","0.002","75.372","0.002","1674.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 Eu2 N8 O20 S4 -","- C68 H54 Eu2 N8 O20 S4 -","- C68 H54 Eu2 N8 O20 S4 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0497","0.0404","","","0.1084","0.1167","","","","","","1.045","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202966","10.6498","0.0013","12.6501","0.0016","13.682","0.002","84.05","0.003","68.256","0.002","75.975","0.002","1660.9","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 Gd2 N8 O20 S4 -","- C68 H54 Gd2 N8 O20 S4 -","- C68 H54 Gd2 N8 O20 S4 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0538","0.0405","","","0.1054","0.1154","","","","","","1.046","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202967","10.685","0.003","12.699","0.004","13.698","0.004","84.405","0.004","68.237","0.004","75.866","0.004","1673.9","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 N8 O20 S4 Tb2 -","- C68 H58 N8 O20 S4 Tb2 -","- C68 H58 N8 O20 S4 Tb2 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate–lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.057","0.0432","","","0.1132","0.1223","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202968","33.27","0.04","4.739","0.004","21.54","0.02","90","","127.46","0.01","90","","2696","5","223.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetra(n-butyl)tetracene, form A","","","- C34 H44 -","- C34 H44 -","- C136 H176 -","4","0.5","","Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo","Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene","CrystEngComm","2007","9","8","644","","10.1039/b707685c","","","0.7107","MoKα","","","0.0864","","","","0.1852","","","","","","1.196","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202969","5.392","0.006","8.66","0.01","15.19","0.02","101.41","0.03","98.8","0.04","99.35","0.06","673.4","1.4","223.2","","","","","","","","","","","2","P -1","-P 1","2","1,4,7,10-tetra(n-butyl)tetracene, form B","","","- C34 H44 -","- C34 H44 -","- C34 H44 -","1","0.5","","Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo","Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene","CrystEngComm","2007","9","8","644","","10.1039/b707685c","","","0.7107","MoKα","","","0.0845","","","","0.2089","","","","","","1.797","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202970","9.1441","0.0018","13.157","0.003","17.564","0.004","90","","95.04","0.03","90","","2104.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 S2 -","- C24 H18 N2 O4 S2 -","- C96 H72 N8 O16 S8 -","4","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.05","0.045","","","0.094","0.097","","","","","","1.13","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202971","10.607","0.0002","12.3972","0.0002","17.3834","0.0004","90","","90.323","0.001","90","","2285.83","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O4 S2 -","- C26 H20 N2 O4 S2 -","- C104 H80 N8 O16 S8 -","4","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.056","0.037","","","0.097","0.115","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202972","28.8615","0.0009","10.188","0.0004","19.9562","0.0008","90","","125.715","0.002","90","","4764.4","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O4 S2 -","- C26 H22 N2 O4 S2 -","- C208 H176 N16 O32 S16 -","8","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.096","0.053","","","0.13","0.153","","","","","","1.06","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202973","7.5501","0.0015","9.0077","0.0018","18.787","0.004","88.56","0.03","81.33","0.03","74.86","0.03","1219.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O6 S2 -","- C26 H26 N2 O6 S2 -","- C52 H52 N4 O12 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.036","0.034","","","0.086","0.087","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202974","7.8072","0.0016","11.128","0.002","11.413","0.002","64.69","0.03","82.89","0.03","77.7","0.03","875.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N O5 S2 -","- C19 H16 N O5 S2 -","- C38 H32 N2 O10 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.069","0.061","","","0.109","0.112","","","","","","1.2","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202975","19.512","0.003","7.8294","0.0013","23.312","0.004","90","","102.726","0.004","90","","3473.8","1","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N2 O8 S4 -","- C40 H30 N2 O8 S4 -","- C160 H120 N8 O32 S16 -","4","0.5","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.048","0.042","","","0.092","0.095","","","","","","1.12","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202976","19.734","0.004","7.8916","0.0016","23.226","0.005","90","","100.8","0.03","90","","3553","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N O4 S2 -","- C20 H16 N O4 S2 -","- C160 H128 N8 O32 S16 -","8","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.041","0.04","","","0.093","0.094","","","","","","1.09","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202977","8.9817","0.0003","9.135","0.0002","12.9172","0.0005","93.469","0.002","90.466","0.002","97.325","0.002","1049.12","0.06","173","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N O5 S2 -","- C22 H22 N O5 S2 -","- C44 H44 N2 O10 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.08","0.055","","","0.157","0.178","","","","","","1.1","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202978","9.873","0.002","10.671","0.002","10.578","0.002","90","","104.58","0.03","90","","1078.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,3'-dinitro-2,2'-bipyridine-1-oxide","3,3'-dinitro-2,2'-bipyridine-1-oxide","","- C10 H6 N4 O5 -","- C10 H6 N4 O5 -","- C40 H24 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.0677","0.0462","","","0.1145","0.1228","","","","","","1.015","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202979","6.1226","0.0003","7.4847","0.0004","13.52","0.0008","102.825","0.0002","90.226","0.002","111.154","0.003","560.99","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3,3-Dinitro-2,2-bipyridine-1,1-dioxide","3,3-Dinitro-2,2-bipyridine-1,1-dioxide","","- C10 H6 N4 O6 -","- C10 H6 N4 O6 -","- C20 H12 N8 O12 -","2","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.097","0.057","","","0.1398","0.1578","","","","","","1.104","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202980","8.167","0.0003","13.4699","0.0006","11.3597","0.0006","90","","94.7505","0.0016","90","","1245.37","0.1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","5,5'-dimethyl-2,2'-bipyridine-1-oxide","5,5'-dimethyl-2,2'-bipyridine-1-oxide","","- C12 H10 N4 O5 -","- C12 H10 N4 O5 -","- C48 H40 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.082","0.0507","","","0.1352","0.1478","","","","","","0.943","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202981","12.044","0.004","7.544","0.003","15.093","0.005","90","","108.48","0.003","90","","1300.6","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide","5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide","","- C12 H10 N4 O6 -","- C12 H10 N4 O6 -","- C48 H40 N16 O24 -","4","0.5","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.064","0.0566","","","0.1499","0.1537","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202982","7.8557","0.0006","8.813","0.0006","11.4793","0.001","90","","93.78","0.004","90","","793.01","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-nitroquinoline-1-oxide","8-nitroquinoline-1-oxide","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.0559","0.0431","","","0.1067","0.1142","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202983","16.32","0.002","23.887","0.003","14.326","0.002","90","","106.433","0.002","90","","5356.7","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O8 -","- C29 H30 N2 O8 -","- C232 H240 N16 O64 -","8","2","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal–pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0973","0.0483","","","0.1195","0.1467","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202984","9.087","0.002","13.014","0.003","13.168","0.003","87.749","0.003","89.854","0.003","80.647","0.003","1535.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Mn N2 O12 -","- C29 H36 Mn N2 O12 -","- C58 H72 Mn2 N4 O24 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal–pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0491","0.0399","","","0.1113","0.1162","","","","","","1.085","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202985","10.1125","0.0007","11.695","0.0008","27.4427","0.0018","90","","94.882","0.001","90","","3233.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Cu N3 O10 -","- C32 H37 Cu N3 O10 -","- C128 H148 Cu4 N12 O40 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0421","0.0317","","","0.0841","0.0882","","","","","","1.062","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202986","28.323","0.002","11.0466","0.0008","20.5022","0.0016","90","","120.905","0.001","90","","5503.8","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H65 Cd N5 O15 -","- C50 H44 Cd N2 O12 -","- C200 H176 Cd4 N8 O48 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0538","0.0452","","","0.141","0.1472","","","","","","1.147","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202987","12.4015","0.0012","9.7313","0.0009","26.458","0.003","90","","96.289","0.001","90","","3173.8","0.6","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H29 N3 O7 Zn -","- C36 H29 N3 O7 Zn -","- C144 H116 N12 O28 Zn4 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0699","0.042","","","0.0999","0.1123","","","","","","1.05","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202988","15.742","0.0009","9.389","0.0005","22.7454","0.0013","90","","94.819","0.001","90","","3349.9","0.3","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H30 Cd N3 O7.5 -","- C36 H29 Cd N3 O7.5 -","- C144 H116 Cd4 N12 O30 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0367","0.028","","","0.072","0.0752","","","","","","1.03","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202989","15.649","0.002","22.963","0.004","11.545","0.003","90","","115.738","0.001","90","","3737.1","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Mn N4 O9 -","- C47 H36 Mn N4 O9 -","- C188 H144 Mn4 N16 O36 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0452","0.0312","","","0.0746","0.0795","","","","","","1.037","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202990","16.08","0.007","10.678","0.005","22.186","0.01","90","","101.95","0.007","90","","3727","3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cu N4 O9 -","- C41 H38 Cu N4 O9 -","- C164 H152 Cu4 N16 O36 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.116","0.0613","","","0.1643","0.1983","","","","","","1.044","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202991","15.913","0.002","10.4978","0.0016","22.979","0.003","90","","102.159","0.002","90","","3752.6","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H34.5 N3.5 O8.5 Zn -","- C39.5 H34.5 N3.5 O8.5 Zn -","- C158 H138 N14 O34 Zn4 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0977","0.065","","","0.1935","0.2192","","","","","","1.067","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202992","11.8834","0.0019","15.273","0.002","19.365","0.003","90","","110.135","0.008","90","","3299.9","0.9","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H29 Cd N3 O7 -","- C38 H29 Cd N3 O7 -","- C152 H116 Cd4 N12 O28 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0437","0.0313","","","0.0822","0.0877","","","","","","1.039","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202993","14.6316","0.001","11.0803","0.0008","11.7201","0.0008","90","","108.242","0.001","90","","1804.6","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39 H36 Cu N4 O8 -","- C39 H36 Cu N4 O8 -","- C78 H72 Cu2 N8 O16 -","2","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0378","0.0321","","","0.0933","0.0969","","","","","","1.011","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202994","13.6265","0.0013","16.8941","0.0016","19.4796","0.0018","90","","107.239","0.001","90","","4282.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 Cd N4 O7 -","- C43 H32 Cd N4 O7 -","- C172 H128 Cd4 N16 O28 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0881","0.0555","","","0.1772","0.2012","","","","","","1.057","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202999","8.952","0.002","10.126","0.003","14.757","0.004","70.511","0.01","79.526","0.01","76.96","0.01","1220.2","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 N2 -","- C14 H20 N2 -","- C56 H80 N8 -","4","2","","Waldemar M. Czaplik; Jörg-M. Neudörfl; Axel Jacobi von Wangelin","On the quantitative recycling of Raney–Nickel catalysts on a lab-scale","Green Chemistry","2007","9","11","1163","","10.1039/b708057c","","","0.71073","MoKα","","0.2461","0.0879","","","0.2204","0.2937","","","","","","0.978","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203000","8.8638","0.0008","14.5474","0.0014","15.4248","0.0012","90","","121.174","0.004","90","","1701.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Ce N3 O10 S3 -","- C9 H14 Ce N3 O10 S3 -","- C36 H56 Ce4 N12 O40 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0642","0.0442","","","0.123","0.1333","","","","","","1.074","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203001","8.8231","0.0003","14.5403","0.0006","15.3938","0.0006","90","","121.052","0.001","90","","1691.88","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N3 O10 Pr S3 -","- C9 H14 N3 O10 Pr S3 -","- C36 H56 N12 O40 Pr4 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0605","0.0489","","","0.154","0.1671","","","","","","1.035","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203002","8.8368","0.0018","14.529","0.003","15.467","0.003","90","","121.3","0.03","90","","1696.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N3 Nd O10 S3 -","- C9 H14 N3 Nd O10 S3 -","- C36 H56 N12 Nd4 O40 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0842","0.0462","","","0.1549","0.172","","","","","","1.094","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203003","8.4178","0.0012","9.0262","0.0013","11.6753","0.0017","99.299","0.002","99.648","0.003","96.047","0.002","855","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 N3 O10 S3 Sm -","- C9 H14 N3 O10 S3 Sm -","- C18 H28 N6 O20 S6 Sm2 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0361","0.0324","","","0.0858","0.0885","","","","","","1.051","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203004","8.403","0.004","9.008","0.005","11.651","0.006","99.135","0.007","99.531","0.005","96.161","0.006","850.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Eu N3 O10 S3 -","- C9 H14 Eu N3 O10 S3 -","- C18 H28 Eu2 N6 O20 S6 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0496","0.0393","","","0.0908","0.096","","","","","","1.066","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203005","8.442","0.003","8.996","0.003","11.7","0.004","98.85","0.004","99.386","0.005","96.468","0.004","857.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 N3 O10 S3 Tb -","- C9 H14 N3 O10 S3 Tb -","- C18 H28 N6 O20 S6 Tb2 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0448","0.038","","","0.0944","0.0973","","","","","","1.012","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203006","8.575","0.003","10.879","0.004","10.988","0.004","70.103","0.004","86.18","0.005","79.849","0.005","948.7","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 Dy2 N6 O24 S6 -","- C18 H36 Dy2 N6 O24 S6 -","- C18 H36 Dy2 N6 O24 S6 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0429","0.0361","","","0.092","0.0947","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203007","8.5663","0.0011","10.8794","0.0015","10.9674","0.0015","70.289","0.002","86.198","0.002","79.714","0.002","946.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 Er2 N6 O24 S6 -","- C18 H36 Er2 N6 O24 S6 -","- C18 H36 Er2 N6 O24 S6 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0322","0.0294","","","0.076","0.078","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203008","8.535","0.005","10.872","0.006","10.939","0.006","70.189","0.008","86.112","0.01","79.489","0.008","938.9","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 N6 O24 S6 Yb2 -","- C18 H36 N6 O24 S6 Yb2 -","- C18 H36 N6 O24 S6 Yb2 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0594","0.0479","","","0.0858","0.0871","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203009","35.243","0.005","35.243","0.005","5.1853","0.001","90","","90","","120","","5577.6","1.6","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15.4 H12 N2 O1.1 -","- C15.4 H12 N2 O1.1 -","- C277.2 H216 N36 O19.8 -","18","1","","Fabbiani, Francesca P. A.; Byrne, Lindsay T.; McKinnon, Joshua J.; Spackman, Mark A.","Solvent inclusion in the structural voids of form II carbamazepine: single-crystal X-ray diffraction, NMR spectroscopy and Hirshfeld surface analysis","CrystEngComm","2007","9","9","728","","10.1039/b708303n","","","0.71073","MoKα","","0.0688","0.0512","","0.1554","0.1482","0.1554","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203010","8.2799","0.0017","8.8747","0.0018","28.103","0.006","90","","95.03","0.03","90","","2057.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 B N O3 -","- C26 H22 B N O3 -","- C104 H88 B4 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.0689","0.0412","","","0.1047","0.1202","","","","","","0.903","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203011","13.1","0.003","8.6206","0.0017","18.923","0.004","90","","106.7","0.03","90","","2046.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 B N O3 -","- C26 H22 B N O3 -","- C104 H88 B4 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.1195","0.0453","","","0.1029","0.1175","","","","","","0.812","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203012","9.802","0.002","22.74","0.005","11.474","0.002","90","","92.32","0.03","90","","2555.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B Cl3 N O3 -","- C27 H23 B Cl3 N O3 -","- C108 H92 B4 Cl12 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.1889","0.0648","","","0.161","0.2107","","","","","","0.79","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203013","9.848","0.003","9.927","0.003","11.596","0.003","70.257","0.005","65.314","0.004","71.302","0.004","947.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O6 -","- C20 H19 Mn N2 O6 -","- C40 H38 Mn2 N4 O12 -","2","1","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0417","0.0392","","","0.1039","0.1061","","","","","","0.973","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203014","25.896","0.002","11.0511","0.0009","17.3434","0.0015","90","","118.826","0.002","90","","4348.3","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N4 O16 Zn3 -","- C42 H36 N4 O16 Zn3 -","- C168 H144 N16 O64 Zn12 -","4","0.5","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0874","0.055","","","0.1284","0.1367","","","","","","1.083","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203015","8.6864","0.001","14.2414","0.0018","16.885","0.002","90","","100.046","0.003","90","","2056.8","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Co N2 O7 -","- C17 H18 Co N2 O7 -","- C68 H72 Co4 N8 O28 -","4","1","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0904","0.0562","","","0.0968","0.1022","","","","","","1.062","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203016","9.4861","0.0019","6.0392","0.0012","32.99","0.007","90","","95.82","0.03","90","","1880.2","0.7","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","N,N,4-tris(pyridin-2-ylmethyl)aniline","N,N,4-tris(pyridin-2-ylmethyl)aniline","","- C24 H22 N4 -","- C24 H22 N4 -","- C96 H88 N16 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0653","0.0535","","","0.1125","0.1187","","","","","","1.104","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203017","8.7284","0.0002","17.3023","0.0003","15.7446","0.0004","90","","102.236","0.001","90","","2323.76","0.09","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","","","- C24 H22 Cl2 Mn N4 -","- C24 H22 Cl2 Mn N4 -","- C96 H88 Cl8 Mn4 N16 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0764","0.0396","","","0.1032","0.1251","","","","","","0.782","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203018","9.4866","0.0003","12.7984","0.0005","13.0868","0.0005","98.379","0.002","104.084","0.002","91.693","0.002","1521.2","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2.03 Cu N4 O2.79 -","- C24 H22 Cl2 Cu N4 O2.71 -","- C48 H44 Cl4 Cu2 N8 O5.42 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.1681","0.1534","","","0.3578","0.3674","","","","","","1.208","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203019","9.3562","0.0002","10.2179","0.0002","13.8837","0.0004","101.079","0.001","96.15","0.001","110.015","0.001","1202.18","0.05","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Co N6 O6 -","- C24 H22 Co N6 O6 -","- C48 H44 Co2 N12 O12 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0725","0.0377","","","0.0803","0.0889","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203020","8.0308","0.0016","8.6296","0.0017","20.091","0.004","93.94","0.03","92.29","0.03","116.16","0.03","1242.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cu N7 O9 -","- C24 H23 Cu N7 O9 -","- C48 H46 Cu2 N14 O18 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0692","0.0648","","","0.1884","0.192","","","","","","1.411","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203021","10.6604","0.0002","10.7821","0.0002","11.5302","0.0002","80.902","0.001","84.283","0.001","79.048","0.001","1281.48","0.04","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Co N4 O6 S -","- C26 H30 Co N4 O6 S -","- C52 H60 Co2 N8 O12 S2 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0748","0.043","","","0.0947","0.105","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203022","9.4677","0.0002","10.179","0.0002","16.2431","0.0004","79.789","0.001","75.907","0.001","71.378","0.001","1430.31","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cu N4 O8.25 S1.25 -","- C24 H22.5 Cu N4 O8.26 S1.25 -","- C48 H45 Cu2 N8 O16.52 S2.5 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0552","0.0488","","","0.1478","0.1542","","","","","","1.062","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203023","8.4675","0.0001","12.8704","0.0002","24.3518","0.0004","90","","90","","90","","2653.86","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl4 Cu2 N4 O2 -","- C24 H22 Cl4 Cu2 N4 O2 -","- C96 H88 Cl16 Cu8 N16 O8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0823","0.0433","","","0.1026","0.1263","","","","","","0.765","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203024","8.5212","0.0002","12.8596","0.0003","24.1208","0.0005","90","","90","","90","","2643.14","0.1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C96.8 H88 Cl16 Cu8 N16 O0.8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0786","0.0431","","","0.077","0.0853","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203025","22.2733","0.0012","22.2733","0.0012","8.9917","0.0003","90","","90","","90","","4460.8","0.4","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Y(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)yttrium(III)]","","- C23 H21 O7 S Y -","- C23 H21 O7 S Y -","- C184 H168 O56 S8 Y8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0917","0.0456","","","0.0661","0.0741","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203026","22.2964","0.0003","22.2964","0.0003","8.9633","0.0002","90","","90","","90","","4455.92","0.13","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Tb(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)terbium(III)]","","- C23 H21 O7 S Tb -","- C23 H21 O7 S Tb -","- C184 H168 O56 S8 Tb8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0193","0.017","","","0.0353","0.0363","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203027","11.5806","0.0006","8.3012","0.0012","24.9731","0.0007","90","","101.617","0.006","90","","2351.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Y(BA)3(H2O)(DMF)]2","bis[(aqua)tris(benzoato)(dimethylformamide)yttrium(III)]","","- C48 H48 N2 O16 Y2 -","- C48 H48 N2 O16 Y2 -","- C96 H96 N4 O32 Y4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0922","0.0502","","","0.1128","0.123","","","","","","0.88","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203028","8.0308","0.0003","13.9735","0.0006","19.0422","0.0008","90","","90","","90","","2136.88","0.15","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Y(2-MeBA)3]n","poly[tri(2-methylbenzoato)yttrium]","","- C24 H21 O6 Y -","- C24 H21 O6 Y -","- C96 H84 O24 Y4 -","4","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.036","0.0279","","","0.0565","0.0594","","","","","","0.803","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203029","27.125","0.005","8.6116","0.0017","23.062","0.005","90","","105.1","0.03","90","","5201","1.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SH7DMF","bis[tris(3-methylbenzoato)(dimethylformamide)yttrium(III)]","","- C54 H60 N2 O16 Y2 -","- C54 H60 N2 O16 Y2 -","- C216 H240 N8 O64 Y8 -","4","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0821","0.052","","","0.1168","0.1323","","","","","","1.039","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203030","8.5731","0.0017","12.059","0.002","16.072","0.003","106.75","0.03","96.04","0.02","102.04","0.03","1531.6","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Y(3-MeBA)3(DMSO)(H2O)]2.2DMSO","bis[(aqua)(dimethylsulphoxide)tris(3-methylbenzoate)yttrium (III)].dmso solvate","","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","1","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0543","0.0439","","","0.1074","0.1127","","","","","","1.023","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203031","8.5475","0.0004","13.4364","0.0008","14.1992","0.0008","99.577","0.002","106.649","0.003","102.216","0.002","1481.45","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","{[Y(4-MeBA)3(DMSO)(H2O)].DMSO}2","","","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","1","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0807","0.052","","","0.0978","0.1091","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203032","8.2242","0.0004","13.0741","0.0008","13.1527","0.0008","90.801","0.004","105.04","0.003","106.894","0.003","1300.72","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly[(dmf)tris(3-nitrobenzoato)yttrium(III)]","poly[tris(3-nitrobenzoate)yttrium(III)(DMF)]","","- C24 H19 N4 O13 Y -","- C24 H19 N4 O13 Y -","- C48 H38 N8 O26 Y2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0779","0.0444","","","0.0913","0.1034","","","","","","1.019","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203033","8.2095","0.0002","13.1346","0.0003","13.1596","0.0004","91.09","0.001","106.536","0.001","104.418","0.002","1311.26","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Tb(3-NO2BA)3(DMF)]n","","","- C24 H19 N4 O13 Tb -","- C24 H19 N4 O13 Tb -","- C48 H38 N8 O26 Tb2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0766","0.0507","","","0.1006","0.1109","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203034","10.4247","0.0005","16.1016","0.0008","18.7135","0.0006","93.351","0.002","101.038","0.002","106.429","0.003","2935.9","0.2","123","1","123","2","","","","","","","","6","P -1","-P 1","2","SH5DMSO","poly[hexa(3-nitrobenzoato)(dimethylsulphoxide)bis(aqua)bisyttrium (III)].DMSO solvate","","- C48 H46 N6 O29 S3 Y2 -","- C48 H46 N6 O29 S3 Y2 -","- C96 H92 N12 O58 S6 Y4 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0852","0.0445","","","0.0902","0.1037","","","","","","0.987","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203035","9.6946","0.0001","26.4487","0.0004","14.4156","0.0002","90","","105.594","0.001","90","","3560.24","0.08","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tb(4-NO2BA)3(DMF)]2.4DMF","bis[(dimethylformamide)tris(4-nitrobenzoato)terbium (III)].4dimethylformamide","","- C60 H70 N12 O32 Tb2 -","- C60 H70 N12 O32 Tb2 -","- C120 H140 N24 O64 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0314","0.027","","","0.0587","0.0606","","","","","","1.059","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203036","9.9516","0.0003","10.5178","0.0003","15.9228","0.0005","98.84","0.001","96.54","0.001","107.148","0.002","1551.09","0.08","123","1","123","1","","","","","","","","6","P -1","-P 1","2","{[(H2O)2(DMSO)(4-NO2BA)3Y]DMSO}n","poly{[bis(aqua)(dimethylsulphoxide)tris(4-nitrobenzoate)yttrium(III)] dimethylsulphoxide}","","- C25 H28 N3 O16 S2 Y -","- C25 H28 N3 O16 S2 Y -","- C50 H56 N6 O32 S4 Y2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0338","0.027","","","0.065","0.0679","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203037","9.9572","0.0003","10.5317","0.0004","15.9559","0.0006","98.894","0.002","96.585","0.001","107.184","0.002","1556.36","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","{[Tb(4-NO2BA)3(DMSO)(H2O)2].DMSO}n","poly{[bis(aqua)(dimethylsulphoxide)tris(4-nitrobenzoato)terbium (III)].dimethylsulphoxide}","","- C25 H28 N3 O16 S2 Tb -","- C25 H28 N3 O16 S2 Tb -","- C50 H56 N6 O32 S4 Tb2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0498","0.0381","","","0.0715","0.0758","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203038","8.3522","0.0013","24.8189","0.003","14.2312","0.0021","90","","106.889","0.006","90","","2822.8","0.7","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Y(4-MeOBA)3(H2O)(DMF)]2","di[(aqua)(dimethylformamide)tris(4-methoxybenzoato)yttrium(III)]","","- C54 H60 N2 O22 Y2 -","- C54 H60 N2 O22 Y2 -","- C108 H120 N4 O44 Y4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.1054","0.0418","","","0.0818","0.1037","","","","","","0.968","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203039","8.3594","0.0003","24.7689","0.0008","14.2505","0.0005","90","","106.805","0.001","90","","2824.6","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(dmf/dsmo)(4-MeOBA)3Tb]2","bis[(dimethylformamide)tri(4-methoxybenzoato)terbium(III)]","","- C53.91 H59.91 N1.91 O22 S0.09 Tb2 -","- C53.906 H59.906 N1.906 O22 S0.094 Tb2 -","- C107.812 H119.812 N3.812 O44 S0.188 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0242","0.0206","","","0.0457","0.0475","","","","","","1.075","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203040","8.3013","0.0002","24.635","0.0005","14.0564","0.0003","90","","105.388","0.001","90","","2771.52","0.11","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Tb(4-MeOBA)3(DMSO)(H2O)]2","","","- C52 H58 O22 S2 Tb2 -","- C52 H58 O22 S2 Tb2 -","- C104 H116 O44 S4 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.034","0.0258","","","0.0532","0.0571","","","","","","1.036","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203041","9.5399","0.0009","12.0328","0.0011","12.2882","0.0012","101.156","0.004","100.498","0.004","99.211","0.004","1332.6","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - pyridine clathrate (1:1)","","","- C23 H40 N4 O4 -","- C23 H40 N4 O4 -","- C46 H80 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0959","0.0757","","","0.1945","0.2169","","","","","","1.038","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203042","9.5544","0.0005","12.1536","0.0007","12.369","0.0007","102.81","0.003","105.373","0.002","97.475","0.002","1322.91","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 2-methylpyridine clathrate (1:1:0.12)","","","- C24 H42.24 N4 O4.12 -","- C24 H42 N4 O4.125 -","- C48 H84 N8 O8.25 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0573","0.0534","","","0.1418","0.1456","","","","","","1.038","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203043","9.5671","0.0014","12.091","0.002","12.44","0.002","102.069","0.008","101.335","0.007","99.598","0.007","1346.9","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 3-methylpyridine clathrate (1:1)","","","- C24 H42 N4 O4 -","- C24 H42 N4 O4 -","- C48 H84 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.1744","0.1291","","","0.3111","0.3669","","","","","","1.114","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203044","9.5358","0.0006","23.642","0.0017","12.0899","0.0008","90","","98.904","0.003","90","","2692.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-leucyl-L-leucyl-L-leucine - 4-methylpyridine clathrate (1:1:0.14)","","","- C24 H42.28 N4 O4.14 -","- C24 H42 N4 O4.14 -","- C96 H168 N16 O16.56 -","4","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0691","0.0436","","","0.0985","0.1129","","","","","","1.032","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203046","14.3232","0.0008","18.5768","0.0012","12.4832","0.0008","90","","111.061","0.004","90","","3099.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 Ni O4 P2 S6 -","- C26 H28 N2 Ni O4 P2 S6 -","- C104 H112 N8 Ni4 O16 P8 S24 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0321","0.028","","","0.0679","0.0703","","","","","","1.03","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203047","17.618","0.003","8.0323","0.0016","25.068","0.005","90","","100.63","0.03","90","","3486.6","1.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 Ni O4 P2 S7 -","- C28 H32 N2 Ni O4 P2 S7 -","- C112 H128 N8 Ni4 O16 P8 S28 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0725","0.0709","","","0.1914","0.1941","","","","","","1.485","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203048","8.1601","0.0004","9.4126","0.0011","17.9991","0.0009","99.453","0.007","99.986","0.005","94.511","0.009","1334.85","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 N2 Ni O4 P2 S5 -","- C18 H28 N2 Ni O4 P2 S5 -","- C36 H56 N4 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0402","0.0393","","","0.1251","0.1264","","","","","","1.212","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203049","11.6911","0.0012","9.9945","0.001","12.1366","0.0012","90","","102.743","0.005","90","","1383.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","0.5","","Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C.","Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism","CrystEngComm","2007","9","9","743","","10.1039/b709136m","","","0.71073","MoKα","","0.0383","0.0356","","","0.1085","0.111","","","","","","1.088","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203050","3.6811","0.0007","7.5912","0.0014","12.455","0.002","85.638","0.009","87.856","0.01","84.221","0.01","345.11","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","1","0.5","","Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C.","Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism","CrystEngComm","2007","9","9","743","","10.1039/b709136m","","","0.71073","MoKα","","0.0476","0.0405","","","0.1153","0.1212","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203051","15.067","0.01","15.478","0.007","23.36","0.02","101.02","0.06","99.84","0.08","105.1","0.04","5021","6","100","2","100","2","","","","","","","","4","P 1","P 1","1","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","","- C150 H165.28 N8 O142.05 -","- C150 H165.28 N8 O142.06 -","- C150 H165.28 N8 O142.06 -","1","1","","Chatziefthimiou, Spyros D.; Yannakopoulou, Konstantina; Mavridis, Irene M.","β-Cyclodextrin trimers enclosing an unusual organization of guest: The inclusion complex β-cyclodextrin/4-pyridinealdazine","CrystEngComm","2007","9","11","976","","10.1039/b709155a","","","0.8015","SYNCHROTRON","","0.0681","0.0653","","","0.1772","0.1804","","","","","","1.037","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203052","7.1982","0.0005","8.634","0.0006","9.2042","0.0007","105.813","0.001","99.892","0.001","112.181","0.001","484.83","0.06","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Cs2 N4 Ni O14 -","- C10 H16 Cs2 N4 Ni O14 -","- C10 H16 Cs2 N4 Ni O14 -","1","0.5","","Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros","Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes","CrystEngComm","2007","9","10","852","","10.1039/b709168k","","","0.71073","MoKα","","0.0147","0.014","","","0.0359","0.0363","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203053","12.1915","0.0004","12.3098","0.0006","16.4178","0.0007","90.374","0.004","96.009","0.003","95.849","0.003","2437.24","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H84 N6 Ni O12 -","- C42 H82 N6 Ni O12 -","- C84 H164 N12 Ni2 O24 -","2","1","","Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros","Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes","CrystEngComm","2007","9","10","852","","10.1039/b709168k","","","0.71073","MoKα","","0.1034","0.0758","","","0.1316","0.1422","","","","","","1.139","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203054","7.9761","0.0001","8.2004","0.0001","7.3668","0.0001","90","","103.414","0.001","90","","468.697","0.011","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H5 N3 O4 -","- C H5 N3 O4 -","- C4 H20 N12 O16 -","4","1","","Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu.","NO3–⋯NO3– and NO3–⋯π interactions in the crystal of urea nitrate","CrystEngComm","2007","9","11","991","","10.1039/b709180j","","","0.71073","MoKα","","0.048","0.033","","","0.0869","0.0985","","","","","","1","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203056","14.745","0.002","5.7176","0.0005","20.659","0.003","90","","90","","90","","1741.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H8 O S -","- C9 H8 O S -","- C72 H64 O8 S8 -","8","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.1854","0.0585","","","0.1081","0.14","","","","","","0.998","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203057","5.9369","0.0006","10.9023","0.001","13.2907","0.0019","90","","90","","90","","860.25","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O S -","- C9 H8 O S -","- C36 H32 O4 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0345","0.029","","","0.077","0.0836","","","","","","1.091","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203058","22.1885","0.0013","5.6567","0.0005","14.0833","0.0009","90","","90","","90","","1767.6","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C72 H64 O16 S8 -","8","2","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0554","0.0371","","","0.0888","0.1066","","","","","","1.153","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203059","6.0507","0.001","9.6244","0.0011","7.9662","0.0006","90","","109.273","0.01","90","","437.91","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C18 H16 O4 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0583","0.0562","","","0.1452","0.1476","","","","","","1.172","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203060","6.7881","0.0004","7.9542","0.0004","8.7386","0.0004","94.048","0.005","92.037","0.006","95.872","0.007","467.75","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O S -","- C10 H10 O S -","- C20 H20 O2 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0552","0.0399","","","0.1012","0.1156","","","","","","1.129","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203061","10.5942","0.0007","7.9196","0.0003","11.5721","0.0005","90","","98.59","0.004","90","","960.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O2 S -","- C10 H10 O2 S -","- C40 H40 O8 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71069","MoKα","","0.0503","0.0388","","","0.1019","0.1151","","","","","","1.118","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203062","7.9083","0.0004","8.889","0.0004","14.4521","0.0007","90","","90","","90","","1015.94","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O3 S -","- C10 H10 O3 S -","- C40 H40 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71069","MoKα","","0.0365","0.029","","","0.0675","0.0766","","","","","","1.133","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203063","7.389","0.001","8.134","0.003","8.474","0.002","109.23","0.02","98.6","0.02","106.01","0.02","445.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 F O2 S -","- C9 H7 F O2 S -","- C18 H14 F2 O4 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.1602","0.078","","","0.234","0.3204","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203064","6.586","0.0002","10.1867","0.0003","16.9358","0.0006","90","","90","","90","","1136.22","0.06","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 S -","- C11 H12 O3 S -","- C44 H48 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C–H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.044","0.0325","","","0.0753","0.08","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203066","5.8976","0.001","16.381","0.003","16.464","0.003","90","","90","","90","","1590.6","0.5","303","2","303","2","","","101","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","none","(10-nitro-phenantren-9-yl)(phenyl)sulphide","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C80 H52 N4 O8 S4 -","4","1","","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","Concomitant formation of chiral and racemic crystals of a diaryl sulfide","CrystEngComm","2007","9","10","856","","10.1039/b709387j","","x-ray","0.71073","mokα","","0.0327","0.0298","","","0.078","0.0793","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203067","8.6557","0.0015","12.706","0.002","14.439","0.003","90","","94.42","0.007","90","","1583.3","0.5","303","2","303","2","","","101","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","none","(10-nitro-phenantren-9-yl)(phenyl)sulphide","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C80 H52 N4 O8 S4 -","4","1","","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","Concomitant formation of chiral and racemic crystals of a diaryl sulfide","CrystEngComm","2007","9","10","856","","10.1039/b709387j","","x-ray","0.71073","MoKα","","0.0494","0.0412","","","0.1145","0.119","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203068","10.864","0.002","5.116","0.001","12.282","0.002","90","","104.53","0.01","90","","660.8","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","catena-(mu-cyanido-kappaC,N)(mu-isonicotinato-kappaN,O) (mu- isonicotinic acid-kappaN,O)dicopper(i)","catena-(μ-cyanido-κC,N)(μ-isonicotinato-κN,O) (μ-isonicotinic acid-κN,O)dicopper(I)","","- C13 H9 Cu2 N3 O4 -","- C13 H9 Cu2 N3 O4 -","- C26 H18 Cu4 N6 O8 -","2","1","","Amo-Ochoa, Pilar; Miguel, Pablo J. Sanz; Castillo, Oscar; Zamora, Félix","An unusual triple parallel interpenetrated 2D Cu-polymer, with a 3D triple interpenetration via H-bonding","CrystEngComm","2007","9","11","987","","10.1039/b709457d","","","0.71069","MoKα","","0.0438","0.0298","","","0.0727","0.0756","","","","","","0.947","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203069","9.5456","0.0006","11.1348","0.0007","37.703","0.002","82.05","0.002","86.294","0.002","66.254","0.002","3632.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Fe N O13 S32 -","- C54 H46 Fe N O13 S32 -","- C108 H92 Fe2 N2 O26 S64 -","2","1","","Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth","Metallic molecular crystals containing chiral or racemic guest molecules","CrystEngComm","2007","9","10","865","","10.1039/b709558a","","","0.6814","synchrotron","","0.0866","0.0469","","","0.097","0.1099","","","","","","1.011","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203070","9.5293","0.0004","11.168","0.0005","37.6039","0.0016","81.788","0.002","86.147","0.001","66.364","0.001","3628.4","0.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H46 Fe N O13 S32 -","- C54 H46 Fe N O13 S32 -","- C108 H92 Fe2 N2 O26 S64 -","2","2","","Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth","Metallic molecular crystals containing chiral or racemic guest molecules","CrystEngComm","2007","9","10","865","","10.1039/b709558a","","","0.71073","MoKα","","0.1094","0.0835","","","0.1869","0.2113","","","","","","1.088","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203071","7.802","0.003","8.471","0.003","8.709","0.003","114.3","0.04","96.46","0.03","114.38","0.04","449.3","0.4","293","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-dimesitylethanediamide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","1","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0638","0.0491","","","0.1418","0.153","","","","","","1.079","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203072","10.875","0.0013","4.72","0.0007","15.978","0.002","90","","107.312","0.011","90","","783","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(3,5-dimethylphenyl)ethanediamide","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0506","0.0459","","","0.1293","0.1345","","","","","","1.1","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203073","9.9263","0.0005","5.6969","0.0005","21.257","0.0013","90","","94.431","0.005","90","","1198.47","0.14","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-diphenylethanediamide 2,3,4,5,6-pentafluorophenol 1:2","","- C26 H14 F10 N2 O4 -","- C26 H14 F10 N2 O4 -","- C52 H28 F20 N4 O8 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0518","0.0465","","","0.1236","0.1289","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203074","6.9797","0.0007","8.1338","0.0007","15.0081","0.0011","78.383","0.007","80.223","0.007","67.53","0.008","767.15","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","N,N'-dimesitylethanediamide 2,3,4,5,6-pentafluorophenol 1:2","","- C16 H13 F5 N O2 -","- C16 H13 F5 N O2 -","- C32 H26 F10 N2 O4 -","2","1","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0534","0.0429","","","0.1233","0.1293","","","","","","1.154","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203075","15.6385","0.0009","6.974","0.0006","15.1543","0.001","90","","118.275","0.006","90","","1455.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2,6-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol","","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","- C60 H44 F20 N4 O8 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0522","0.0449","","","0.1207","0.127","","","","","","1.106","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203076","7.0285","0.0005","7.5525","0.0005","13.6546","0.0009","91.511","0.005","101.938","0.006","92.892","0.006","707.74","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol","","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","1","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0447","0.0382","","","0.1065","0.1112","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203077","6.9617","0.001","8.311","0.0011","13.3819","0.0019","91.559","0.015","104.416","0.011","92.117","0.011","748.84","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorobenzoic acid","","- C16 H11 F5 N O3 -","- C16 H11 F5 N O3 -","- C32 H22 F10 N2 O6 -","2","1","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl–perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0581","0.0462","","","0.1244","0.132","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203078","11.292","0.006","15.112","0.01","15.805","0.012","90","","90","","90","","2697","3","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N4 O4 -","- C26 H31 N4 O4 -","- C104 H124 N16 O16 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.7107","MoKα","","","0.082","","","","0.097","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203079","9.4493","0.0016","14.125","0.002","21.736","0.004","90","","90","","90","","2901.1","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(Phe-Pro-Leu-Aha)","","","- C26 H44 N4 O7 -","- C26 H44 N4 O7 -","- C104 H176 N16 O28 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.71073","MoKα","","0.0768","0.0665","","","0.1537","0.1596","","","","","","1.149","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203080","18.473","0.004","37.249","0.007","15.502","0.003","90","","90","","90","","10667","4","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H24 Cu4 I4 N4 -","- C12 H18 Cu4 I4 N4 -","- C192 H288 Cu64 I64 N64 -","16","1","","Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua","A coordination polymer of copper(i) iodide with 654 topology constructed from Cu4I4(DABCO)4","CrystEngComm","2007","9","11","984","","10.1039/b709852a","","","0.71073","MoKα","","0.1473","0.0771","","","0.21","0.253","","","","","","1.021","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203081","9.955","0.009","10.404","0.009","10.839","0.009","97.689","0.009","98.771","0.007","111.382","0.016","1011","1.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H27 N O7 P2 -","- C16 H27 N O7 P2 -","- C32 H54 N2 O14 P4 -","2","1","","Zhang, Jianfeng; Cui, Zhanwei; Wang, Fei; Wang, Yadan; Miao, Zhiwei; Chen, Ruyu","Mannich type reactions of chlorophosphites, phosphoramides and aldehydes (ketones) under solvent-free and catalyst-free conditions—synthesis of N-phosphoramino α-aminophosphonates","Green Chemistry","2007","9","12","1341","","10.1039/b710008f","","","0.7107","MoKα","","0.0725","0.0574","","","0.1303","0.1388","","","","","","1.123","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203082","14.367","0.011","16.29","0.013","18.72","0.015","90","","105.06","0.014","90","","4231","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(tpypy)(tpypyH)](ClO4)3.EtOH","","","- C42 H35 Cl3 Fe N8 O13 -","- C42 H35 Cl3 Fe N8 O13 -","- C168 H140 Cl12 Fe4 N32 O52 -","4","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.1488","0.0615","","","0.112","0.139","","","","","","0.975","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203083","13.1562","0.0001","20.3741","0.0002","18.8557","0.0002","90","","90","","90","","5054.19","0.08","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H33 Fe2 N14 O2 S6 -","- C46 H33 Fe2 N14 O2 S6 -","- C184 H132 Fe8 N56 O8 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.0445","0.0279","","0.0463","0.0319","0.0319","","","","","","1.0827","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203084","13.3057","0.0001","20.3495","0.0002","18.4014","0.0002","90","","90","","90","","4982.44","0.08","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H32 Fe2 N15 S6 -","- C48 H32 Fe2 N15 S6 -","- C192 H128 Fe8 N60 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.091","0.0701","","0.0432","0.0414","0.0414","","","","","","0.9055","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203085","9.632","0.004","13.811","0.007","11.323","0.005","90","","107.433","0.007","90","","1437.1","1.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 N8 Ni O11 -","- C19 H28 N8 Ni O11 -","- C38 H56 N16 Ni2 O22 -","2","1","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0757","0.0627","","","0.1484","0.1517","","","","","","1.017","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203086","29.059","0.0016","10.0284","0.0005","18.1396","0.001","90","","90","","90","","5286.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 N16 Ni2 O19 -","- C42 H58 N16 Ni2 O19 -","- C168 H232 N64 Ni8 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.069","0.0546","","","0.1602","0.1689","","","","","","1.046","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203087","29.1836","0.0017","10.0604","0.0006","18.1377","0.001","90","","90","","90","","5325.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 Co2 N16 O19 -","- C42 H58 Co2 N16 O19 -","- C168 H232 Co8 N64 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0874","0.0643","","","0.1601","0.169","","","","","","1.036","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203088","10.473","0.002","17.597","0.004","14.503","0.003","90","","106.452","0.003","90","","2563.4","0.9","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 Co6 N32 O28 -","- C84 H92 Co6 N32 O28 -","- C84 H92 Co6 N32 O28 -","1","0.25","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.084","0.056","","","0.1101","0.1146","","","","","","1.094","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203089","14.5255","0.0005","7.921","0.0003","14.9241","0.0005","90","","98.607","0.003","90","","1697.78","0.1","0","","293","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C34 H65 N O6 -","- C34 H65 N O6 -","- C68 H130 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","0.0628","0.0488","","","0.1402","0.1517","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203090","18.291","0.007","7.973","0.003","20.566","0.007","90","","95.049","0.003","90","","2987.6","1.9","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H111 N O12 -","- C60 H89 N O12 -","- C120 H178 N2 O24 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54184","CuKα","","","0.0896","","","","0.294","","","","","","1.052","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203091","14.6044","0.0007","7.9746","0.0004","17.2816","0.0007","90","","102.785","0.003","90","","1962.79","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H73 N O6 -","- C38 H73 N O6 -","- C76 H146 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","","0.0725","","","","0.191","","","","","","1.009","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203092","14.593","0.004","7.99","0.002","18.702","0.008","90","","109.52","0.03","90","","2055.3","1.2","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H77 N O6 -","- C40 H77 N O6 -","- C80 H154 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.5412","CuKα","","","0.0726","","","","0.2303","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203093","8.3621","0.0004","11.0698","0.0005","9.8203","0.0005","90","","101.459","0.003","90","","890.91","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Au2 Cu N6 -","- C12 H18 Au2 Cu N6 -","- C24 H36 Au4 Cu2 N12 -","2","1","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0536","0.0434","","0.06","0.0558","0.0558","","","","","","0.9877","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203094","7.2413","0.0002","17.2528","0.0005","12.9833","0.0003","90","","90","","90","","1622.04","0.07","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C10 H18 Au Cl Cu N4 O4 -","- C10 H18 Au Cl Cu N4 O4 -","- C40 H72 Au4 Cl4 Cu4 N16 O16 -","4","0.5","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0554","0.0278","","0.0333","0.0254","0.0254","","","","","","0.7832","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203095","24.0685","0.0006","24.0685","0.0006","10.9542","0.0006","90","","90","","90","","6345.7","0.4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H168 N40 O100 -","- C48 H48 N40 O101.12 -","- C96 H96 N80 O202.24 -","2","0.0625","","Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.","Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)","CrystEngComm","2007","9","11","973","","10.1039/b711285h","","","0.7107","MoKα","","0.1262","0.1181","","","0.3212","0.3465","","","","","","1.744","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203096","14.4486","0.0003","14.4486","0.0003","10.5175","0.0005","90","","90","","120","","1901.49","0.11","100","2","100.1","1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C18 H55 Cl N12 O24 -","- C18 H18 Cl N12 O24.02 -","- C36 H36 Cl2 N24 O48.04 -","2","0.0833333","","Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.","Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)","CrystEngComm","2007","9","11","973","","10.1039/b711285h","","","0.7107","MoKα","","0.1581","0.1471","","","0.4227","0.4548","","","","","","2.232","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203097","11.8672","0.0018","12.2217","0.0019","6.4287","0.001","90","","90","","90","","932.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Pyrazine-N,N'-dioxide","Pyrazine-N,N'-dioxide","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Babu, N. Jagadeesh; Nangia, Ashwini","High Z′ polymorphs have shorter C–H⋯O interactions and O–H⋯O hydrogen bonds","CrystEngComm","2007","9","11","980","","10.1039/b711739f","","","0.71073","MoKα","","0.0874","0.0605","","","0.1439","0.1584","","","","","","1.151","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203098","3.7239","0.0013","11.01","0.004","5.683","0.002","90","","96.237","0.005","90","","231.62","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazine-N,N'-dioxide","Pyrazine-N,N'-dioxide","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Babu, N. Jagadeesh; Nangia, Ashwini","High Z′ polymorphs have shorter C–H⋯O interactions and O–H⋯O hydrogen bonds","CrystEngComm","2007","9","11","980","","10.1039/b711739f","","","0.71073","MoKα","","0.0651","0.0564","","","0.1178","0.122","","","","","","1.24","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203099","7.6982","0.0004","10.662","0.0006","19.4343","0.001","87.531","0.001","86.42","0.001","75.938","0.001","1543.67","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Fe N2 O8 -","- C34 H40 Fe N2 O8 -","- C68 H80 Fe2 N4 O16 -","2","1","","Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Palladino, Giuseppe; Polito, Marco","Solvent effect in a “solvent free” reaction","CrystEngComm","2007","9","10","879","","10.1039/b711983f","","","0.71073","MoKα","","0.0516","0.0338","","","0.0843","0.0916","","","","","","0.843","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7209365","4.4544","","4.4544","","11.106","","90","","90","","90","","220.362","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Ag2.80 Eu Na0.20 Te4","","- Ag2.8 Eu Na0.2 Te4 -","- Ag2.79 Eu Na0.21 Te4 -","- Ag2.79 Eu Na0.21 Te4 -","1","0.125","","Brazis, P.; Kannewurf, C.R.; Patschke, R.; Kanatzidis, M.G.","Cu0.66 Eu Te2, K Cu2 Eu Te4 and Na0.2 Ag2.8 Eu Te4: compounds with modulated square Te nets","Journal of Materials Chemistry","1999","9","","2293","2296","10.1039/a903945g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209467","3.17","","9.3847","","9.2498","","90","","90.22","","90","","275.175","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Fe2 O (B O3)","","- B Fe2 O4 -","- B Fe2 O4 -","- B4 Fe8 O16 -","4","1","","Attfield, J.P.; Rodriguez-Martinez, L.M.; Greneche, J.M.; Cernik, R.J.; Bell, A.M.T.; Clarke, J.F.; le Blanc, M.; Retoux, R.; Perkins, D.A.","Synthesis, structure and properties of a semivalent iron oxoborate, Fe2 O B O3","Journal of Materials Chemistry","1998","9","","205","209","10.1039/a804642e","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212954","15.157","0.009","8.7321","0.0018","13.507","0.015","90","","90.94","0.03","90","","1787","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Ag2 N3 S12 Se4 -","- C23 H16 Ag2 N3 S8 Se5.866 -","- C46 H32 Ag4 N6 S16 Se11.732 -","2","0.5","","Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc","Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2","Journal of Materials Chemistry","1999","9","2","387","","10.1039/a804995e","","","0.71073","MoKα","","0.1592","0.0552","","","0.1069","0.1337","","","","","","1.035","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212955","9.5839","0.0008","4.983","0.003","34.645","0.006","90","","90","","90","","1654.5","1","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H16 Ag N2 S8 Se8 -","- C22 H16 Ag N2 S8 Se8 -","- C44 H32 Ag2 N4 S16 Se16 -","2","0.5","","Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc","Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2","Journal of Materials Chemistry","1999","9","2","387","","10.1039/a804995e","","","0.71073","MoKα","","0.2658","0.057","","","0.1158","0.1738","","","","","","0.926","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212958","22.4037","0.0002","19.5153","0.0002","12.7108","0.0002","90","","90","","90","","5557.35","0.12","293","2","293","2","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C16 H57.5 Mo12.5 N6 O41.5 -","- C16 H38 Mo12.5 N6 O41.5 -","- C64 H152 Mo50 N24 O166 -","4","0.5","","Duraisamy, T.; Ramanan, A.; Vittal, J. J.","Two new inorganic-organic hybrid salts: [NH2Me2]4[NMe4]2-[Mo0.5O4⊂(Mo12O36)]·1.5H2O and [NMe4]2[NH4]2[Mo8O26]·2H2O","Journal of Materials Chemistry","1999","9","3","763","","10.1039/a806073h","","","0.71073","MoKα","","0.0595","0.0472","","0.1326","0.125","","","","1.119","1.155","1.155","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212959","11.2641","0.0001","16.3815","0.0001","10.0775","0.0001","90","","110.242","0.001","90","","1744.68","0.03","293","2","293","2","","","","","","","see text","5","C 1 2/m 1","-C 2y","12","","","","- C8 H36 Mo8 N4 O28 -","- C8 H36 Mo8 N4 O28 -","- C16 H72 Mo16 N8 O56 -","2","0.25","","Duraisamy, T.; Ramanan, A.; Vittal, J. J.","Two new inorganic-organic hybrid salts: [NH2Me2]4[NMe4]2-[Mo0.5O4⊂(Mo12O36)]·1.5H2O and [NMe4]2[NH4]2[Mo8O26]·2H2O","Journal of Materials Chemistry","1999","9","3","763","","10.1039/a806073h","","","0.71073","MoKα","","0.0279","0.0241","","0.064","0.0622","","","","1.101","1.126","1.126","","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7212962","8.6488","0.0009","8.919","0.003","11.316","0.002","82.06","0.02","74.331","0.01","85.71","0.02","831.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N14 Ni -","- C36 H38 N14 Ni -","- C36 H38 N14 Ni -","1","0.5","","Azcondo, M. Teresa; Ballester, Loreto; Golhen, Stephane; Gutierrez, Angel; Ouahab, Lahcene; Yartsev, Slav; Delhaes, Pierre","Structural, magnetic, electrical and optical characterization of systems built from [M([9]aneN3)2]2+ (M=CuII or NiII) and TCNQ or TCNQF4","Journal of Materials Chemistry","1999","9","6","1237","","10.1039/a807595f","","","0.71073","MoKα","","0.0853","0.0551","","0.1601","0.1423","","","","1.058","1.066","1.066","","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7212963","8.6806","0.0011","8.915","0.005","11.348","0.002","82.03","0.03","74.109","0.014","84.95","0.02","835.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Cu N14 -","- C36 H38 Cu N14 -","- C36 H38 Cu N14 -","1","0.5","","Azcondo, M. Teresa; Ballester, Loreto; Golhen, Stephane; Gutierrez, Angel; Ouahab, Lahcene; Yartsev, Slav; Delhaes, Pierre","Structural, magnetic, electrical and optical characterization of systems built from [M([9]aneN3)2]2+ (M=CuII or NiII) and TCNQ or TCNQF4","Journal of Materials Chemistry","1999","9","6","1237","","10.1039/a807595f","","","0.71073","MoKα","","0.0637","0.0433","","0.1264","0.1135","","","","1.005","0.996","0.996","","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7212964","8.35","0.002","9.884","0.004","14.369","0.004","74.1","0.02","89.01","0.02","69.11","0.02","1061.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 Cu N18 -","- C48 H42 Cu N18 -","- C48 H42 Cu N18 -","1","0.5","","Azcondo, M. Teresa; Ballester, Loreto; Golhen, Stephane; Gutierrez, Angel; Ouahab, Lahcene; Yartsev, Slav; Delhaes, Pierre","Structural, magnetic, electrical and optical characterization of systems built from [M([9]aneN3)2]2+ (M=CuII or NiII) and TCNQ or TCNQF4","Journal of Materials Chemistry","1999","9","6","1237","","10.1039/a807595f","","","0.71073","MoKα","","0.0427","0.0311","","0.0891","0.0829","","","","1.055","1.058","1.058","","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7212965","15.476","0.005","16.146","0.004","16.441","0.004","77.15","0.02","78.04","0.03","85.43","0.03","3915.9","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 Cu F8 N14 O1.5 -","- C36 H33 Cu F8 N14 O2.5 -","- C144 H132 Cu4 F32 N56 O10 -","4","2","","Azcondo, M. Teresa; Ballester, Loreto; Golhen, Stephane; Gutierrez, Angel; Ouahab, Lahcene; Yartsev, Slav; Delhaes, Pierre","Structural, magnetic, electrical and optical characterization of systems built from [M([9]aneN3)2]2+ (M=CuII or NiII) and TCNQ or TCNQF4","Journal of Materials Chemistry","1999","9","6","1237","","10.1039/a807595f","","","0.71073","MoKα","","0.1726","0.056","","0.1384","0.1039","","","","1.03","1.143","1.143","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212969","20.403","0.006","10.402","0.003","6.824","0.002","90","","96.69","0.02","90","","1438.4","0.7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N2 O4 -","- C14 H19 N2 O4 -","- C56 H76 N8 O16 -","4","1","","Stroh, Christophe; Romero, Francisco M.; Kyritsakas, Nathalie; Catala, Laure; Turek, Philippe; Ziessel, Raymond","Synthesis, structure and properties of benzoic acids bearing para- or meta-imino nitroxides or ortho-nitronyl nitroxide radical centres","Journal of Materials Chemistry","1999","9","4","875","","10.1039/a808018f","","","1.54184","Cu-Kα","","0.046","0.039","","0.058","","0.058","","","0.994","","","1.105","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212970","6.916","0.002","20.003","0.006","10.165","0.003","90","","106.68","0.02","90","","1347.1","0.7","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N2 O3 -","- C14 H17 N2 O3 -","- C56 H68 N8 O12 -","4","1","","Stroh, Christophe; Romero, Francisco M.; Kyritsakas, Nathalie; Catala, Laure; Turek, Philippe; Ziessel, Raymond","Synthesis, structure and properties of benzoic acids bearing para- or meta-imino nitroxides or ortho-nitronyl nitroxide radical centres","Journal of Materials Chemistry","1999","9","4","875","","10.1039/a808018f","","","0.71073","Mo-Kα","","0.145","0.043","","0.095","","0.055","","","1.728","","","1.034","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212971","25.458","0.002","7.6775","0.0006","15.1702","0.0005","90","","107.158","0.004","90","","2833.1","0.3","294","","294","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H17 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","2","","Stroh, Christophe; Romero, Francisco M.; Kyritsakas, Nathalie; Catala, Laure; Turek, Philippe; Ziessel, Raymond","Synthesis, structure and properties of benzoic acids bearing para- or meta-imino nitroxides or ortho-nitronyl nitroxide radical centres","Journal of Materials Chemistry","1999","9","4","875","","10.1039/a808018f","","","0.71073","Mo-Kα","","0.064","0.035","","0.063","","0.046","","","1.395","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212972","9.937","0.002","13.685","0.002","8.431","0.003","94.18","0.02","97.37","0.02","100.32","0.01","1113.2","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl O8 S8 -","- C16 H10 Cl O8 S8 -","- C32 H20 Cl2 O16 S16 -","2","1","","Iyoda, Masahiko; Ogura, Eiji; Hara, Kenji; Kuwatani, Yoshiyuki; Nishikawa, Hiroyuki; Sato, Tatsuo; Kikuchi, Koichi; Ikemoto, Isao; Mori, Takehiko","Conducting charge-transfer and radical ion salts based on bitetrathiafulvalenes; an approach to organic metals using stoichiometry control","Journal of Materials Chemistry","1999","9","2","335","","10.1039/a808053d","","","0.7107","MoKα","","","0.0479","","","0.0476","","","","","1.6","1.6","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212974","7.992","0.002","9.275","0.001","12.987","0.003","90","","106.356","0.005","90","","923.7","0.3","295","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H15 B3 N6 -","- C3 H15 B3 N6 -","- C12 H60 B12 N24 -","4","1","","Cornu, David; Miele, Philippe; Faure, René; Bonnetot, Bernard; Mongeot, Henri; Bouix, Jean","Conversion of B(NHCH3)3 into boron nitride and polyborazine fibres and tubular BN structures derived therefrom","Journal of Materials Chemistry","1999","9","3","757","","10.1039/a808213h","","","0.71073","MoKα","","","0.042","","","0.043","","","","","1.211","1.211","","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7212982","13.9032","0.0005","13.9032","0.0005","23.9326","0.0012","90","","90","","90","","4626.1","0.3","298","2","298","2","","","","","","","see text","3","P 43 21 2","P 4nw 2abw","96","Tetraethyl-ET","Bis(1,2-diethyl-ethylenedithio)tetrathiafulvalene","","- C18 H24 S8 -","- C18 H24 S8 -","- C144 H192 S64 -","8","1","","Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.","Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties","Journal of Materials Chemistry","1999","9","4","883","","10.1039/a809132c","","","0.71073","MoKα","","0.0819","0.0501","","0.1002","0.0898","","","","1.083","1.16","1.16","","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7212983","18.619","0.002","19.864","0.002","8.4853","0.0008","90","","90","","90","","3138.3","0.5","301","2","301","2","","","","","","","grown by electrocrystallization","5","C m c m","-C 2c 2","63","","Bis(1,2-diethyl-ethylenedithio)tetrathiafulvalenium tetrachloroaurate(III) dichloroaurate(I) (1:1:1)","","- C18 H32 Au2 Cl6 S8 -","- C18 Au2 Cl6 S8 -","- C72 Au8 Cl24 S32 -","4","0.25","","Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.","Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties","Journal of Materials Chemistry","1999","9","4","883","","10.1039/a809132c","","","0.71073","MoKα","","0.0844","0.059","","0.1232","0.1131","","","","1.155","1.201","1.201","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212984","13.19","0.003","18.925","0.004","6.5035","0.0013","90","","98.19","0.03","90","","1606.9","0.6","293","2","293","2","","","","","","","grown by electrocrystallization","5","C 1 2/m 1","-C 2y","12","","Bis(1,2-diethyl-ethylenedithio)tetrathiafulvalenium dibromoiodate (1:2)","","- C18 H24 Br4 I2 S8 -","- C18 H24 Br4 I2 S8 -","- C36 H48 Br8 I4 S16 -","2","0.25","","Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.","Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties","Journal of Materials Chemistry","1999","9","4","883","","10.1039/a809132c","","","0.71073","MoKα","","0.0633","0.0504","","0.1247","0.1174","","","","1.128","1.159","1.159","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212985","39.754","0.002","13.8902","0.0007","11.4853","0.0006","90","","92.722","0.001","90","","6334.9","0.6","298","2","298","2","","","","","","","diffusion-controlled chemical oxidation","5","C 1 2/c 1","-C 2yc","15","","Bis(1,2-diethyl-ethylenedithio)tetrathiafulvalenium triiodide solvate with 1,1,2-trichloroethane (1:1:ca.1)","","- C20 H27 Cl3 I3 S8 -","- C19 H24 Cl0.83 I3 S8 -","- C152 H192 Cl6.64 I24 S64 -","8","1","","Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.","Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties","Journal of Materials Chemistry","1999","9","4","883","","10.1039/a809132c","","","0.71073","MoKα","","0.1273","0.0849","","0.1761","0.1591","","","","1.247","1.363","1.363","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212986","35.639","0.002","9.4278","0.0004","14.7617","0.0007","90","","94.456","0.001","90","","4944.9","0.4","298","2","298","2","","","","","","","crystal grown by electrocrystallization","5","P 1 21/c 1","-P 2ybc","14","","(1,2-diethyl-ethylenedithio)tetrathiafulvalenium dibromoiodate (2:3)","","- C28 H32 Br6 I3 S16 -","- C28 H31.36 Br6 I3 S16 -","- C112 H125.44 Br24 I12 S64 -","4","1","","Kini, Aravinda M.; Parakka, James P.; Geiser, Urs; Wang, Hsien-Hau; Rivas, Felix; DiNino, Ernest; Thomas, Seddon; Dudek, James D.; Williams, Jack M.","Tetraalkyl- and dialkyl-substituted BEDT-TTF derivatives and their cation-radical salts: synthesis, structure, and properties","Journal of Materials Chemistry","1999","9","4","883","","10.1039/a809132c","","","0.71073","MoKα","","0.1597","0.0761","","0.1978","0.1646","","","","1.067","1.352","1.352","","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7212994","18.0967","0.0013","7.8886","0.0006","9.1507","0.0007","90","","111.838","0.002","90","","1212.59","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H6 N O4 P Sn -","- C2 H8 N1.33333 O5.33333 P1.33333 Sn1.33333 -","- C12 H48 N8 O32 P8 Sn8 -","6","0.75","","Vaidhyanathan, R.; Natarajan, Srinivasan","New open-framework layered tin(II) phosphates intercalated with amines","Journal of Materials Chemistry","1999","9","8","1807","","10.1039/a809682a","","","0.71073","MoKα","","0.0325","0.0263","","0.0611","0.0588","","","","1.112","1.131","1.131","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212995","18.1327","0.0013","7.8581","0.0006","9.3441","0.0007","90","","111.3","0.002","90","","1240.48","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H6 N O4 P Sn -","- C2 H7.44 N1.33333 O6.10667 P1.33333 Sn1.33333 -","- C12 H44.64 N8 O36.64 P8 Sn8 -","6","0.75","","Vaidhyanathan, R.; Natarajan, Srinivasan","New open-framework layered tin(II) phosphates intercalated with amines","Journal of Materials Chemistry","1999","9","8","1807","","10.1039/a809682a","","","0.71073","MoKα","","0.0403","0.0394","","0.1094","0.1087","","","","1.277","1.292","1.292","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213003","6.651","0.0006","10.7485","0.001","13.4022","0.0013","83.003","0.002","85.739","0.002","83.971","0.002","943.87","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 Co N2 O32 V12 -","- C8 H24 Co N2 O32 V12 -","- C8 H24 Co N2 O32 V12 -","1","0.5","","Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.; Ross, Kent","Electrochemical-hydrothermal synthesis and structure of [N(CH3)4]2[Co(H2O)4V12O28]","Journal of Materials Chemistry","1999","9","4","859","","10.1039/a809999e","","","0.71073","MoKα","","0.1172","0.0668","","0.1741","0.1419","","","","1.021","1.035","1.035","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213004","6.135","0.004","8.107","0.004","16.981","0.009","79.98","0.03","79.68","0.03","81.88","0.04","812.9","0.8","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 O4 S16 -","- C24 H18 O4 S16 -","- C24 H18 O4 S16 -","1","0.5","","Giffard, Michel; Riou, Amédée; Mabon, Gilles; Mercier, Nicolas; Molinié, Philippe; Nguyen, Thien Phap","Structural and electrical properties of bis(ethylenedithio)tetrathiafulvalenium hydrogen fumarate (2/1): a BEDT-TTF mixed-valency salt with a hydrogen-bonding organic anion","Journal of Materials Chemistry","1999","9","4","851","","10.1039/a810002k","","","0.71073","Mo-Kα","","0.091","0.064","","0.1","0.092","","","","2.032","1.865","1.865","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213005","17.216","0.005","10.832","0.003","6.247","0.002","90","","95.71","0.02","90","","1159.2","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N6 O4 -","- C24 H30 N6 O4 -","- C48 H60 N12 O8 -","2","0.5","","Ziessel, Raymond; Ulrich, Gilles; Lawson, Raphael C.; Echegoyen, Luis","Oligopyridine bis(nitronyl nitroxides): synthesis, structures, electrochemical, magnetic and electronic properties","Journal of Materials Chemistry","1999","9","7","1435","","10.1039/a810044f","","","1.54184","Cu-Kα","","0.05","0.04","","0.061","","0.06","","","0.999","","","1.113","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213006","16.334","0.005","10.316","0.003","11.99","0.003","90","","103.3","0.02","90","","1966.1","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N5 O4 -","- C19 H27 N5 O4 -","- C76 H108 N20 O16 -","4","1","","Ziessel, Raymond; Ulrich, Gilles; Lawson, Raphael C.; Echegoyen, Luis","Oligopyridine bis(nitronyl nitroxides): synthesis, structures, electrochemical, magnetic and electronic properties","Journal of Materials Chemistry","1999","9","7","1435","","10.1039/a810044f","","","1.54184","Cu-Kα","","0.042","0.033","","0.047","","0.047","","","0.99","","","1.06","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213007","6.192","0.002","11.794","0.003","13.513","0.004","90","","93.74","0.02","90","","984.7","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N5 O4 -","- C18 H24 N5.86 O4 -","- C36 H48 N11.72 O8 -","2","0.5","","Ziessel, Raymond; Ulrich, Gilles; Lawson, Raphael C.; Echegoyen, Luis","Oligopyridine bis(nitronyl nitroxides): synthesis, structures, electrochemical, magnetic and electronic properties","Journal of Materials Chemistry","1999","9","7","1435","","10.1039/a810044f","","","1.54184","Cu-Kα","","0.05","0.045","","0.078","","0.078","","","1.481","","","1.586","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213008","11.448","0.005","35.68","0.01","8.632","0.003","90","","90","","90","","3526","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H9 N S8 -","- C15 H9 N S8 -","- C120 H72 N8 S64 -","8","1","","Xu, Wei; Zhang, Deqing; Li, Hongxiang; Zhu, Daoben","New electron donors: BEDT-TTF derivatives bearing a pyridine group; synthesis, crystal structure, electrochemical studies and the formation of charge transfer complexes","Journal of Materials Chemistry","1999","9","6","1245","","10.1039/a900063a","","","0.71069","MoKα","","0.1036","0.0646","","0.2756","0.1956","","","","1.004","1.101","1.101","","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7213016","6.985","0.002","14.407","0.004","20.427","0.003","90","","93.7","0.02","90","","2051.3","0.9","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 F4 N5 O -","- C21 H18 F4 N5 O -","- C84 H72 F16 N20 O4 -","4","1","","Nakatsuji, Shin'ichi; Takai, Atsushi; Nishikawa, Kazuyoshi; Morimoto, Yukio; Yasuoka, Noritake; Suzuki, Kazuya; Enoki, Toshiaki; Anzai, Hiroyuki","CT complexes based on TEMPO radicals","Journal of Materials Chemistry","1999","9","8","1747","","10.1039/a900295b","","","1.5418","CuKα","","","0.059","","","0.047","","","","","3.05","3.05","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213017","12.47","0.004","17.279","0.002","9.599","0.003","90","","101.17","0.03","90","","2029.1","1","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl2 N3 O4 -","- C18 H24 Cl2 N3 O4 -","- C72 H96 Cl8 N12 O16 -","4","1","","Nakatsuji, Shin'ichi; Takai, Atsushi; Nishikawa, Kazuyoshi; Morimoto, Yukio; Yasuoka, Noritake; Suzuki, Kazuya; Enoki, Toshiaki; Anzai, Hiroyuki","CT complexes based on TEMPO radicals","Journal of Materials Chemistry","1999","9","8","1747","","10.1039/a900295b","","","0.7107","MoKα","","","0.0543","","","0.0769","","","","","1.17","1.17","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213018","20.309","0.002","20.265","0.003","13.452","0.001","90","","103.987","0.008","90","","5372.2","1.1","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 F4 N6 O -","- C24 H23 F4 N6 O -","- C192 H184 F32 N48 O8 -","8","1","","Nakatsuji, Shin'ichi; Takai, Atsushi; Nishikawa, Kazuyoshi; Morimoto, Yukio; Yasuoka, Noritake; Suzuki, Kazuya; Enoki, Toshiaki; Anzai, Hiroyuki","CT complexes based on TEMPO radicals","Journal of Materials Chemistry","1999","9","8","1747","","10.1039/a900295b","","","1.5418","CuKα","","","0.0975","","","0.1514","","","","","3.152","3.152","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213025","10.716","0.002","12.652","0.002","12.832","0.004","89.17","0.02","66.16","0.02","66.034","0.011","1430.6","0.7","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H42 In N3 O3 S3 -","- C21 H42 In N3 O3 S3 -","- C42 H84 In2 N6 O6 S6 -","2","1","","Horley, Graeme A.; O'Brien, Paul; Park, Jin-Ho; White, Andrew J. P.; Williams, David J.","Deposition of tetragonal β-In2S3 thin films from tris(N,N-diisopropylmonothiocarbamato)indium(III), In(SOCNiPr2)3, by low pressure metal-organic chemical vapour deposition","Journal of Materials Chemistry","1999","9","6","1289","","10.1039/a900503j","","","0.71073","MoKα","","0.0563","0.0416","","0.1024","0.0944","","","","1.035","1.065","1.065","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213033","5.44","0.001","5.413","0.001","23.74","0.005","90","","90","","90","","699.1","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Bi2 O9 W2 -","- Bi2 O9 W2 -","- Bi8 O36 W8 -","4","1","","Champarnaud-Mesjard, Jean-Claude; Frit, Bernard; Watanabe, Akiteru","Crystal structure of Bi2W2O9, the n=2 member of the homologous series (Bi2O2)BVInO3n+1 of cation-deficient Aurivillius phases","Journal of Materials Chemistry","1999","9","6","1319","","10.1039/a900992b","","","0.71073","MoKα","","0.0696","0.0458","","","0.0925","0.1002","","","","","","1.037","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213040","5.076","0.002","13.123","0.016","15.19","0.005","71.9","0.07","81.91","0.04","80.04","0.07","943.2","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-Propyl-4-nitroaniline","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","2","","Gangopadhyay, P.; Venugopal Rao, S.; Narayana Rao, D.; Radhakrishnan, T. P.","N-Alkyl-p-nitroanilines: impact of alkyl chain length on crystal structures and optical SHG","Journal of Materials Chemistry","1999","9","8","1699","","10.1039/a901591d","","","0.71073","MoKα","","0.0769","0.0405","","","0.1564","0.2487","","","","","","0.914","","","","has coordinates","301864","2025-08-22","15:14:30",""
"7213041","7.468","","15.348","0.018","18.528","","90","0.05","90","","90","0.01","2124","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Butyl-4-nitroaniline","","- C10 H14 N2 O2 -","- C10 H14 N2 O2 -","- C80 H112 N16 O16 -","8","2","","Gangopadhyay, P.; Venugopal Rao, S.; Narayana Rao, D.; Radhakrishnan, T. P.","N-Alkyl-p-nitroanilines: impact of alkyl chain length on crystal structures and optical SHG","Journal of Materials Chemistry","1999","9","8","1699","","10.1039/a901591d","","","0.71073","MoKα","","0.1394","0.0551","","","0.1232","0.1778","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:31",""
"7213042","6.192","0.003","15.61","0.07","11.851","0.006","90","0.13","97.52","0.04","90","0.13","1136","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Pentyl-4-nitroaniline","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","","Gangopadhyay, P.; Venugopal Rao, S.; Narayana Rao, D.; Radhakrishnan, T. P.","N-Alkyl-p-nitroanilines: impact of alkyl chain length on crystal structures and optical SHG","Journal of Materials Chemistry","1999","9","8","1699","","10.1039/a901591d","","","0.71073","MoKα","","0.0753","0.046","","","0.1338","0.1627","","","","","","1.259","","","","has coordinates","301864","2025-08-22","15:14:31",""
"7213043","5.2702","0.0015","5.2674","0.0007","14.231","0.0011","90","","90","","90","","395.06","0.13","297","2","297","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C H Mo0.5 N0.5 O1.5 -","- C H Mo0.5 N0.5 O1.5 -","- C8 H8 Mo4 N4 O12 -","8","1","","Xu, Yan; Lu, Jianjiang; Goh, Ngoh K.","Hydrothermal assembly and crystal structures of three novel open frameworks based on molybdenum(vi) oxides","Journal of Materials Chemistry","1999","9","7","1599","","10.1039/a901592b","","","0.71073","MoKα","","0.0179","0.0169","","0.0433","0.0414","","","","1.194","1.201","1.201","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213044","5.568","0.002","6.829","0.002","9.246","0.0012","100.716","0.012","101.521","0.015","112.5","0.03","304.6","0.17","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H5 Cu Mo N O4 -","- C2 H5 Cu Mo N O4 -","- C4 H10 Cu2 Mo2 N2 O8 -","2","1","","Xu, Yan; Lu, Jianjiang; Goh, Ngoh K.","Hydrothermal assembly and crystal structures of three novel open frameworks based on molybdenum(vi) oxides","Journal of Materials Chemistry","1999","9","7","1599","","10.1039/a901592b","","","0.71073","MoKα","","0.0324","0.0254","","0.0606","0.0532","","","","1.067","1.089","1.089","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213045","5.358","0.006","5.574","0.015","7.632","0.006","103.74","0.15","106.25","0.09","97.37","0.23","207.9","0.7","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu1.5 H Mo O5 -","- Cu1.5 H Mo O5 -","- Cu3 H2 Mo2 O10 -","2","1","","Xu, Yan; Lu, Jianjiang; Goh, Ngoh K.","Hydrothermal assembly and crystal structures of three novel open frameworks based on molybdenum(vi) oxides","Journal of Materials Chemistry","1999","9","7","1599","","10.1039/a901592b","","","0.71073","MoKα","","0.0295","0.025","","0.0721","0.0645","","","","1.067","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213055","7.2499","0.0008","8.1244","0.0009","8.6529","0.0009","73.472","0.002","80.085","0.002","85.077","0.002","480.94","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- H12 N2 O10 P2 V -","- N2 O10 P2 V -","- N4 O20 P4 V2 -","2","2","","Liu, Lumei; Wang, Xiqu; Bontchev, Ranko; Ross, Kent; Jacobson, Allan J.","Influence of reaction conditions on the electrochemical-hydrothermal synthesis of two ammonium vanadium phosphates: (NH4)2VO(HPO4)2·H2O and (NH4)2VO(V0.88P1.12O7)","Journal of Materials Chemistry","1999","9","7","1585","","10.1039/a901956a","","","0.71073","MoKα","","0.1001","0.0797","","0.2045","0.1937","","","","0.995","1.096","1.096","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213064","12.171","0.002","5.2299","0.0007","16.567","0.002","90","","107.709","0.01","90","","1004.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ni S8 -","- C16 H20 Ni S8 -","- C32 H40 Ni2 S16 -","2","0.5","","Bai, Jun‐Feng; Zuo, Jing‐Lin; Tan, Wei‐Lian; Ji, Wei; Shen, Zhen; Fun, Hoong‐Kun; Chinnakali, Kandasamy; Abdul Razak, Ibrahim; You, Xiao‐Zeng; Che, Chi‐Ming","Synthesis, structure and optical limiting effect of two new nickel complexes containing strongly bound geometrically fixed multi‐sulfur 1,2‐dithiolene ligands showing remarkable near‐IR absorption","Journal of Materials Chemistry","1999","9","10","2419","","10.1039/a902295c","","","0.71073","MoKα","","0.0247","0.0211","","0.0528","0.051","","","","1.06","1.074","1.074","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213072","6.372","0.0008","27.142","0.006","14.238","0.002","90","","92.29","0.02","90","","2460.5","0.7","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","EDT-TTF-CO2H","4-(4',5'-ethylenedithiotetrathiafulvalenyl)carboxylic acid","","- C9 H6 O2 S6 -","- C9 H5 O2 S6 -","- C72 H40 O16 S48 -","8","2","","Heuzé, Karine; Fourmigué, Marc; Batail, Patrick","The crystal chemistry of amide‐functionalized ethylenedithiotetrathiafulvalenes: EDT‐TTF‐CONRR′ (R, R′ = H, Me)","Journal of Materials Chemistry","1999","9","10","2373","","10.1039/a902852h","","","0.71073","MoKα","","0.2866","0.0819","","0.1902","0.1232","","","","0.712","1.04","1.04","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213073","6.3477","0.0006","30.765","0.003","16.438","0.002","90","","95.681","0.011","90","","3194.4","0.6","180","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","EDT-TTF-CONH2, 0.75 THF","3-amido-3',4'-ethylenedithiotetrathiafulvalene, THF solvate","","- C12 H13 N O1.75 S6 -","- C12 H9 N O1.75 S6 -","- C96 H72 N8 O14 S48 -","8","2","","Heuzé, Karine; Fourmigué, Marc; Batail, Patrick","The crystal chemistry of amide‐functionalized ethylenedithiotetrathiafulvalenes: EDT‐TTF‐CONRR′ (R, R′ = H, Me)","Journal of Materials Chemistry","1999","9","10","2373","","10.1039/a902852h","","","0.71073","MoKα","","0.1899","0.0689","","0.1512","0.1173","","","","0.827","1.074","1.074","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213074","7.6636","0.0015","17.584","0.004","21.553","0.004","90","","90","","90","","2904.4","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","EDT-TTF(CONHMe)","3-methylamido-3',4'ethylenedithiotetrathiafulvalene","","- C10 H9 N O S6 -","- C10 H9 N O S6 -","- C80 H72 N8 O8 S48 -","8","2","","Heuzé, Karine; Fourmigué, Marc; Batail, Patrick","The crystal chemistry of amide‐functionalized ethylenedithiotetrathiafulvalenes: EDT‐TTF‐CONRR′ (R, R′ = H, Me)","Journal of Materials Chemistry","1999","9","10","2373","","10.1039/a902852h","","","0.71073","MoKα","","0.0617","0.036","","0.0705","0.0643","","","","0.91","1.017","1.017","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213075","6.299","0.0013","7.886","0.002","29.631","0.006","90","","90","","90","","1471.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","EDT-TTF-CONMe2","3-dimethylamido-3',4'-ethylenedithiotetrathiafulvalene","","- C11 H11 N O S6 -","- C11 H11 N O S6 -","- C44 H44 N4 O4 S24 -","4","1","","Heuzé, Karine; Fourmigué, Marc; Batail, Patrick","The crystal chemistry of amide‐functionalized ethylenedithiotetrathiafulvalenes: EDT‐TTF‐CONRR′ (R, R′ = H, Me)","Journal of Materials Chemistry","1999","9","10","2373","","10.1039/a902852h","","","0.71073","Mo-Kα","","0.1987","0.047","","0.1998","0.1092","","","","0.921","0.936","0.936","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213081","13.055","0.003","16.915","0.003","10.772","0.002","95.66","0.01","105","0.01","99.65","0.01","2239.8","0.8","20","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N5 Ni S4 -","- C18.75 H10 N6.25 Ni1.125 S5 -","- C75 H40 N25 Ni4.5 S20 -","4","2","","Robertson, Neil; Bergemann, Christoph; Becker, Helmut; Agarwal, Prabhat; Julian, Stephen R.; Friend, Richard H.; Hatton, Nicholas J.; Underhill, Allan E.; Kobayashi, Akiko","Synthesis, structure and properties of [ethylpyridinium][Ni(mnt)2]: evidence for an unusual magnetically ordered ground state","Journal of Materials Chemistry","1999","9","8","1713","","10.1039/a903007g","","","0.7107","MoKα","","","0.0683","","","0.1067","","","","","0.094","0.094","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213082","13.311","0.002","17.093","0.001","11.016","0.001","95.095","0.008","105.2","0.01","101.189","0.01","2346.8","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N5 Ni S4 -","- C18.25 H10 N6 Ni1.125 S5 -","- C73 H40 N24 Ni4.5 S20 -","4","2","","Robertson, Neil; Bergemann, Christoph; Becker, Helmut; Agarwal, Prabhat; Julian, Stephen R.; Friend, Richard H.; Hatton, Nicholas J.; Underhill, Allan E.; Kobayashi, Akiko","Synthesis, structure and properties of [ethylpyridinium][Ni(mnt)2]: evidence for an unusual magnetically ordered ground state","Journal of Materials Chemistry","1999","9","8","1713","","10.1039/a903007g","","","0.7107","MoKα","","","0.0872","","","0.1611","","","","","0.144","0.144","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213094","27.653","0.007","8.13","0.002","9.857","0.004","90","","95.74","0.04","90","","2204.9","1.2","290.2","","290.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 O4 -","- C22 H40 O4 -","- C88 H160 O16 -","4","1","","Ruddick, Clare L.; Hodge, Philip; Zhuo, Yang; Beddoes, Roy L.; Helliwell, Madeleine","Cyclo‐depolymerisation of polyundecanoate and related polyesters: characterisation of cyclic oligoundecanoates and related cyclic oligoesters","Journal of Materials Chemistry","1999","9","10","2399","","10.1039/a903767e","","","0.7107","MoKα","","","0.0497","","","0.0354","","","","","1.775","1.775","","","","","has coordinates","301864","2025-08-22","15:14:31",""
"7213095","12.416","0.002","22.881","0.004","9.315","0.002","99.93","0.02","101.19","0.02","83.39","0.01","2548","0.8","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H156 N2 Pt S16 -","- C84 H146 N2 Pt S16 -","- C84 H146 N2 Pt S16 -","1","0.5","","Nakazono, Takeo; Nakano, Motohiro; Tamura, Hatsue; Matsubayashi, Gen‐etsu","Properties of Pt(ii) complexes with a sulfur‐rich dithiolate ligand having alkyl chains and of their oxidized species. The X‐ray crystal structure of [NBun4]2[Pt{C6S8(C10H21)2}]","Journal of Materials Chemistry","1999","9","10","2413","","10.1039/a903821c","","","0.7107","MoKα","","","0.039","","","0.043","0.043","","","","","","1.56","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213120","10.3148","0.0002","16.8937","0.0004","21.7803","0.0003","90","","103.515","0.003","90","","3690.23","0.13","293","2","293","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Eu F9 N2 O6 S3 -","- C34 H20 Eu F9 N2 O6 S3 -","- C136 H80 Eu4 F36 N8 O24 S12 -","4","1","","Chen, Xiao­Feng; Zhu, Xu­Hui; Xu, Yao­Hua; Shanmuga Sundara Raj, S.; Öztürk, Sema; Fun, Hoong­Kun; Ma, Jing; You, Xiao­Zeng","Triboluminescence and crystal structures of non­ionic europium complexes","Journal of Materials Chemistry","1999","9","11","2919","","10.1039/a904411f","","","0.71073","MoKα","","0.1275","0.063","","0.1651","0.1348","","","","1.028","1.123","1.123","","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213121","12.272","0.0002","23.5505","0.0004","16.8123","0.0003","90","","99.818","0.001","90","","4787.79","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H47 Eu N2 O7 -","- C57 H47 Eu N2 O7 -","- C228 H188 Eu4 N8 O28 -","4","1","","Chen, Xiao­Feng; Zhu, Xu­Hui; Xu, Yao­Hua; Shanmuga Sundara Raj, S.; Öztürk, Sema; Fun, Hoong­Kun; Ma, Jing; You, Xiao­Zeng","Triboluminescence and crystal structures of non­ionic europium complexes","Journal of Materials Chemistry","1999","9","11","2919","","10.1039/a904411f","","","0.71073","MoKα","","0.1621","0.0671","","","0.0866","0.1095","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:31",""
"7213145","7.112","0.001","10.489","0.001","10.681","0.001","65.4","0.01","76.58","0.01","73.05","0.01","687.35","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N8 S6 -","- C23 H14 N8 S6 -","- C23 H14 N8 S6 -","1","0.5","","Ranganathan, Anupama; Pedireddi, V. R.; Chatterjee, Swati; Rao, C. N. R.","An organic channel structure formed by the supramolecular assembly of trithiocyanuric acid and 4,4′‐bipyridyl","Journal of Materials Chemistry","1999","9","10","2407","","10.1039/a905344a","","","0.71073","MoKα","","0.0885","0.0626","","0.2136","0.1828","","","","1.446","1.453","1.453","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213146","7.282","0.001","10.621","0.001","10.648","0.001","66.3","0.01","76.53","0.01","70.42","0.01","705.86","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N8 S6 -","- C24 H14 N8 S6 -","- C24 H14 N8 S6 -","1","0.5","","Ranganathan, Anupama; Pedireddi, V. R.; Chatterjee, Swati; Rao, C. N. R.","An organic channel structure formed by the supramolecular assembly of trithiocyanuric acid and 4,4′‐bipyridyl","Journal of Materials Chemistry","1999","9","10","2407","","10.1039/a905344a","","","0.71073","MoKα","","0.0771","0.0669","","0.2018","0.1843","","","","1.031","1.027","1.027","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213147","10.324","0.001","11.615","0.001","12.319","0.001","102.16","0.01","93.46","0.01","90.68","0.01","1441","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N8 S6 -","- C24 H14 N8 S6 -","- C48 H28 N16 S12 -","2","1","","Ranganathan, Anupama; Pedireddi, V. R.; Chatterjee, Swati; Rao, C. N. R.","An organic channel structure formed by the supramolecular assembly of trithiocyanuric acid and 4,4′‐bipyridyl","Journal of Materials Chemistry","1999","9","10","2407","","10.1039/a905344a","","","0.71073","MoKα","","0.157","0.0818","","0.2548","0.2189","","","","1.125","1.432","1.432","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213148","13.656","0.005","20.254","0.004","12.638","0.004","104.75","0.02","116.18","0.03","81.57","0.02","3031.2","1.8","173.5","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Br2 Cl3 I S24 -","- C36 Br2 Cl3 I S24 -","- C72 Br4 Cl6 I2 S48 -","2","1","","Akutagawa, Tomoyuki; Abe, Yukako; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Sugiura, Ken­ich; Sakata, Yoshiteru; Christensen, Christian A.; Lau, Jesper; Becher, Jan","Crystal structures and optical properties of cation radical salts of a tetrathiafulvalene trisannulated macrocycle","Journal of Materials Chemistry","1999","9","11","2737","","10.1039/a905362j","","","0.7107","MoKα","","","0.079","","","0.0878","","","","3.506","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213149","13.653","0.002","20.303","0.003","12.677","0.001","104.622","0.01","116.501","0.007","81.65","0.01","3040.8","0.7","196.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H42 Cl3 I3 S24 -","- C36 Cl3 I3 S24 -","- C72 Cl6 I6 S48 -","2","1","","Akutagawa, Tomoyuki; Abe, Yukako; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Sugiura, Ken­ich; Sakata, Yoshiteru; Christensen, Christian A.; Lau, Jesper; Becher, Jan","Crystal structures and optical properties of cation radical salts of a tetrathiafulvalene trisannulated macrocycle","Journal of Materials Chemistry","1999","9","11","2737","","10.1039/a905362j","","","0.7107","MoKα","","","0.0073","","","0.0793","","","","1.69","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213151","13.0923","0.0002","14.2717","0.0002","14.2197","0.0001","90","","90.308","0.001","90","","2656.9","0.06","298","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H52 N8 O43 P10 Zn12 -","- C12 H24 N8 O42.378 P10 Zn12 -","- C24 H48 N16 O84.756 P20 Zn24 -","2","1","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Unusual dual role of the organic amine in an open­framework structure","Journal of Materials Chemistry","1999","9","11","2789","","10.1039/a905506a","","","0.71073","MoKα","","0.0397","0.0372","","0.1115","0.1023","","","","1.165","1.095","1.095","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213159","18.4545","0.0001","10.9939","0.0001","23.0803","0.0003","90","","112.43","","90","","4328.43","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 Ge N O12 S16 -","- C33 H21 Ge N O12 S16 -","- C132 H84 Ge4 N4 O48 S64 -","4","1","","Martin, Lee; Turner, Scott S.; Day, Peter; Guionneau, Philippe; Howard, Judith A. K.; Uruichi, Mikio; Yakushi, Kyuya","Synthesis, crystal structure and properties of the semiconducting molecular charge‐transfer salt (bedt‐ttf)2Ge(C2O4)3ṡPhCN [bedt-ttf=bis(ethylenedithio)tetrathiafulvalene]","Journal of Materials Chemistry","1999","9","11","2731","","10.1039/a905723d","","","0.71073","MoKα","","0.1376","0.077","","","0.1879","0.2282","","","","","","0.928","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213160","18.7332","0.0006","11.0665","0.0003","23.0587","0.0007","90","","112.504","0.001","90","","4416.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 Ge N O12 S16 -","- C33 H21 Ge N O12 S16 -","- C132 H84 Ge4 N4 O48 S64 -","4","1","","Martin, Lee; Turner, Scott S.; Day, Peter; Guionneau, Philippe; Howard, Judith A. K.; Uruichi, Mikio; Yakushi, Kyuya","Synthesis, crystal structure and properties of the semiconducting molecular charge‐transfer salt (bedt‐ttf)2Ge(C2O4)3ṡPhCN [bedt-ttf=bis(ethylenedithio)tetrathiafulvalene]","Journal of Materials Chemistry","1999","9","11","2731","","10.1039/a905723d","","","0.71073","MoKα","","0.2701","0.1071","","0.2985","0.2345","","","","1.179","1.661","1.661","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7214216","8.1784","0.0006","8.1784","0.0006","8.1784","0.0006","90","","90","","90","","547.02","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.14/1.86/4)","","- Li1.14 Mn1.86 O4 -","- Li1.14 Mn1.86 O4 -","- Li9.12 Mn14.88 O32 -","8","0.0416667","","Berg, H.; Kelder, E. M.; Thomas, J. O.","Neutron diffraction study of stoichiometric spinel Li1+x Mn2-x O4 showing octahedral 16c-site Li-occupation","Journal of Materials Chemistry","1999","9","","427","429","10.1039/a804851g","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7217098","6.377","0.009","6.3842","0.0001","25.357","0.009","90","","90","","90","","1032.3","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- O56 P8 Pb4 V8 -","- O56 P8 Pb4 V8 -","- O56 P8 Pb4 V8 -","1","0.25","","Le Fur, E.; Pivan, J. Y.","Synthesis, crystal structure and magnetic properties of the novel stacking variant lamellar lead oxovanadium phosphate hydrate β‐Pb(VOPO4)2ṡ4H2O. Crystal chemical relationships with related intercalated M(VOPO4)2ṡyH2O compounds","Journal of Materials Chemistry","1999","9","10","2589","","10.1039/a901048c","","","0.71073","MoKα","","0.0424","0.0307","","","0.0813","0.0877","","","","","","1.063","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217099","17.479","0.002","6.758","0.001","8.019","0.001","90","","102.01","0.01","90","","926.5","0.2","293","","293","","","","","","","","Solid state chemistry","4","C 1 2/c 1","-C 2yc","15","","","","- K O12 P3 U2 -","- K1.002 O12 P3 U2 -","- K4.008 O48 P12 U8 -","4","0.5","","Guesdon, Anne; Provost, Jackie; Raveau, Bernard","New thorium and uranium monophosphates in the KTh2(PO4)3 family: structure and cationic non‐stoichiometry","Journal of Materials Chemistry","1999","9","10","2583","","10.1039/a904121d","","","0.71073","Mo-Kα","","0.038","0.038","","0.036","0.036","","","","1.849","1.849","1.849","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217100","16.134","0.003","8.2407","0.0016","22.86","0.005","90","","104.05","0.03","90","","2948.4","1.1","150","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H28 N4 O26 P6 Zn7 -","- C8 H24 N4 O26 P6 Zn7 -","- C32 H96 N16 O104 P24 Zn28 -","4","0.5","","Kongshaug, Kjell Ove; Fjellvåg, Helmer; Lillerud, Karl Petter","The synthesis and crystal structure of a new open-framework zincophosphate UiO‐17","Journal of Materials Chemistry","1999","9","12","3119","","10.1039/a905886i","","","0.71073","MoKα","","0.0394","0.0344","","","0.0909","0.0932","","","","","","1.034","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217101","14.061","0.004","10.546","0.003","18.891","0.006","90","","99.29","0.02","90","","2764.6","1.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H80 O16 Ti4 -","- C40 O16 Ti4 -","- C80 O32 Ti8 -","2","0.5","","Miele‐Pajot, Nathalie; Hubert-Pfalzgraf, Liliane G.; Papiernik, Renée; Vaissermann, Jacqueline; Collier, Rémy","Synthesis and molecular structure of [Ti4(OPri)8(μ,η2­OCH2CHCHCH2O)2(μ3,η2­OCH2CHCHCH2O)2]. Application to the elaboration of low density, microcellular, doped organic materials","Journal of Materials Chemistry","1999","9","12","3027","","10.1039/a904491d","","","0.71069","MoKα","","","0.084","","","0.0777","","","","","1.1032","1.1032","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7217102","35.437","0.005","10.079","0.003","17.512","0.003","90","","106.65","0.01","90","","5993","2","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 N Ni S12 Se4 -","- C44 H72 N Ni S12 Se4 -","- C176 H288 N4 Ni4 S48 Se16 -","4","0.5","","Ueda, Kazumasa; Kamata, Yutaka; Iwamatsu, Masaki; Sugimoto, Toyonari; Fujita, Hideo","A neutral bis(diethylthiotetrathiafulvalenyldiselenolato)nickel complex: a superior organic conductor to the corresponding dithiolato derivative","Journal of Materials Chemistry","1999","9","12","2979","","10.1039/a905769b","","","1.5418","CuKα","","0.0647","0.0647","","","0.0976","0.0975","","","","","","1.979","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217103","7.686","0.003","11.454","0.004","11.617","0.005","76.59","0.02","80.25","0.02","84.48","0.03","978.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-ethoxycarbonyl-4',5,5'-trimethyltetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane, 2:1 complex","","- C36 H32 N4 O4 S8 -","- C36 H32 N4 O4 S8 -","- C36 H32 N4 O4 S8 -","1","0.5","","Bryce, Martin R.; Moore, Adrian J.; Batsanov, Andrei S.; Howard, Judith A. K.; Petty, Michael C.; Williams, Geoffrey; Rotello, Vincent; Cuello, Alejandro","4-Ethoxycarbonyl-4′,5,5′-trimethyltetrathiafulvalene and its radical cation: Langmuir–Blodgett film studies, EPR spectra and the X-ray crystal structure of (Me3TTF-CO2Et)2·TCNQ complex","Journal of Materials Chemistry","1999","9","12","2973","","10.1039/a905364f","","","0.71073","MoKα","","0.0395","0.0364","","0.0989","0.0952","","","","1.078","1.084","1.084","","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217104","7.814","0.003","15.498","0.005","7.815","0.003","90","","92.911","0.015","90","","945.2","0.6","298","","298","","","","","","","","hydrothermal reaction","6","P 1 21 1","P 2yb","4","","","","- C3 H6 As3 N3 O13 Zn4 -","- C3 As3 N3 O13 Zn4 -","- C6 As6 N6 O26 Zn8 -","2","1","","Harrison, William T. A.; Phillips, Mark L. F.; Chavez, Alejandra V.; Nenoff, Tina M.","Syntheses and structures of the open­framework phases (CH3NH3)3·Zn4O(AsO4)3 and (CH3NH3)3·Zn4O(PO4)3 related to the M3Zn4O(XO4)3·nH2O family","Journal of Materials Chemistry","1999","9","12","3087","","10.1039/a906009j","","","0.71073","MoKα","","","0.0301","","","0.0398","","","","","0.2861","0.2861","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217105","7.6569","0.0005","15.241","0.001","7.6589","0.0005","90","","92.74","0.001","90","","892.76","0.1","298","","298","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C3 N3 O13 P3 Zn4 -","- C3 N3 O13 P3 Zn4 -","- C6 N6 O26 P6 Zn8 -","2","1","","Harrison, William T. A.; Phillips, Mark L. F.; Chavez, Alejandra V.; Nenoff, Tina M.","Syntheses and structures of the open­framework phases (CH3NH3)3·Zn4O(AsO4)3 and (CH3NH3)3·Zn4O(PO4)3 related to the M3Zn4O(XO4)3·nH2O family","Journal of Materials Chemistry","1999","9","12","3087","","10.1039/a906009j","","","0.71073","MoKα","","","0.0807","","","0.096","","","","","2.0548","2.0548","","","","","has coordinates","189826","2020-10-21","18:00:00",""
"7217106","10.8294","0.0009","12.7465","0.0011","12.3971","0.0011","90","","95.115","0.002","90","","1704.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Fe2 N2 O16 P3 -","- C7 H17 Fe2 N2 O16 P3 -","- C28 H68 Fe8 N8 O64 P12 -","4","1","","Choudhury, Amitava; Natarajan, Srinivasan","A hybrid open‐framework structure: synthesis and structure of an iron phosphate oxalate, [C10N4H28][Fe2(HPO4)3(C2O4)]2","Journal of Materials Chemistry","1999","9","12","3113","","10.1039/a906663b","","","0.71073","MoKα","","0.0563","0.036","","0.0911","0.0825","","","","1.037","1.104","1.104","","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217107","9.648","0.005","20.874","0.005","17.8","0.003","90","","94.32","0.03","90","","3575","2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-(4H'-1'-benzothiopyran-4'-one-3'-ethenyl)-1,3,6-trimethylindolinum tetraphenylborate","","","- C46 H40 B N O S -","- C46 H40 B N O S -","- C184 H160 B4 N4 O4 S4 -","4","1","","Yagi, Shigeyuki; Maeda, Katsumi; Nakazumi, Hiroyuki","Photochromic properties of cationic merocyanine dyes. Thermal stability of the spiropyran form produced by irradiation with visible light","Journal of Materials Chemistry","1999","9","12","2991","","10.1039/a905098a","","","0.7107","MoKalpha","","0.078","0.078","","0.075","0.075","","","","","2.94","2.94","","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217108","19.431","0.013","10.867","0.006","27.55","0.02","90","","99.15","0.06","90","","5743","7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H101 O11 Y3 -","- C44 H99 O11 Y3 -","- C176 H396 O44 Y12 -","4","1","","Veith, Michael; Mathur, Sanjay; Kareiva, Aivaras; Jilavi, Mohammad; Zimmer, Michael; Huch, Volker","Low temperature synthesis of nanocrystalline Y3Al5O12 (YAG) and Ce-doped Y3Al5O12 via different sol‒gel methods","Journal of Materials Chemistry","1999","9","12","3069","","10.1039/a903664d","","","0.71073","MoKα","","0.2186","0.0965","","","0.14","0.1872","","","","","","1.181","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7221012","5.5939","","5.6013","","18.011","","90","","90","","90","","564.341","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Li2 Sr (Nb2 O7)","","- Li2 Nb2 O7 Sr -","- Li2 Nb2 O7 Sr -","- Li8 Nb8 O28 Sr4 -","4","0.125","","Bhuvanesh, N.S.P.; Duroy, H.; Crosnier-Lopez, M.P.; Fourquet, J.L.","Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)","Journal of Materials Chemistry","1999","9","","3093","3100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221013","3.9499","","3.9499","","18.2","","90","","90","","90","","283.951","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Li2 Sr (Ta2 O7)","","- Li2 O7 Sr Ta2 -","- Li2 O7 Sr Ta2 -","- Li4 O14 Sr2 Ta4 -","2","0.0625","","Bhuvanesh, N.S.P.; Crosnier-Lopez, M.P.; Fourquet, J.L.; Duroy, H.","Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)","Journal of Materials Chemistry","1999","9","","3093","3100","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221014","5.473","","5.473","","26.331","","90","","90","","90","","788.712","","","","","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","Li2 La1.72 ((Nb0.66 Ti2.34) O10)","","- La1.72 Li2 Nb0.66 O10 Ti2.34 -","- La1.72 Li2 Nb0.66 O10 Ti2.34 -","- La6.88 Li8 Nb2.64 O40 Ti9.36 -","4","0.25","","Bhuvanesh, N.S.P.; Fourquet, J.L.; Duroy, H.; Crosnier-Lopez, M.P.","Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)","Journal of Materials Chemistry","1999","9","","3093","3100","","","","","","","","","","","","","","","","","","","","","","has coordinates","140415","2020-10-21","18:00:00",""
"7221015","3.952","","3.952","","33.746","","90","","90","","90","","527.055","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li2 Sr2.07 ((Nb3.96 Fe0.04) O13)","","- Fe0.04 Li2 Nb3.96 O13 Sr2.07 -","- Fe0.04 Li2 Nb3.96 O13 Sr2.07 -","- Fe0.08 Li4 Nb7.92 O26 Sr4.14 -","2","0.0625","","Bhuvanesh, N.S.P.; Crosnier-Lopez, M.P.; Duroy, H.; Fourquet, J.L.","Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)","Journal of Materials Chemistry","1999","9","","3093","3100","","","","","","","","","","","","","","","","","","","","","","has coordinates","140416","2020-10-21","18:00:00",""
"7221016","9.429","","9.592","","9.897","","90","","90","","90","","895.114","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(N H4)2 (Co0.046 Al0.954)2 (P O4)2 ((O H)0.954 (H2 O)0.046)2","","- Al1.908 Co0.092 H10.092 N2 O10 P2 -","- Al1.908 Co0.092 N2 O10 P2 -","- Al7.632 Co0.368 N8 O40 P8 -","4","1","","Bontchev, R.P.; Sevov, S.C.","Hydrothermal synthesis and characterization of two ammonium-templated cobalt aluminophosphates","Journal of Materials Chemistry","1999","9","","2679","2682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221017","3.8664","","3.8664","","20.7794","","90","","90","","90","","310.632","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 Fe2 O6 F0.8","","- F0.8 Fe2 O6 Sr3 -","- F0.801 Fe2 O5.999 Sr3 -","- F1.602 Fe4 O11.998 Sr6 -","2","0.0625","","Case, G.S.; Hector, A.L.; Weller, M.T.; Levason, W.; Needs, R.L.; Thomas, M.F.","Syntheses, powder neutron diffraction structures and Mossbauer studies of some complex iron oxyfluorides: Sr3 Fe2 O6 F0.87, Sr2 Fe O3 F and Ba2 In Fe O5 F0.68","Journal of Materials Chemistry","1999","9","","2821","2827","","","","","","","","","","","","","","","","","","","","","","has coordinates","140502","2020-10-21","18:00:00",""
"7221018","4.1644","","4.1644","","4.1644","","90","","90","","90","","72.22","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ba (In Fe)0.5 O2.5 F0.318","","- Ba F0.318 Fe0.5 In0.5 O2.5 -","- Ba F0.318 Fe0.5 In0.5 O2.499 -","- Ba F0.318 Fe0.5 In0.5 O2.499 -","1","0.0208333","","Case, G.S.; Hector, A.L.; Levason, W.; Needs, R.L.; Thomas, M.F.; Weller, M.T.","Syntheses, powder neutron diffraction structures and Mossbauer studies of some complex iron oxyfluorides: Sr3 Fe2 O6 F0.87, Sr2 Fe O3 F and Ba2 In Fe O5 F0.68","Journal of Materials Chemistry","1999","9","","2821","2827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221024","5.4979","","5.4979","","13.3584","","90","","90","","120","","349.686","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.85 Na0.09 K0.06) Mn O3","","- K0.06 La0.85 Mn Na0.09 O3 -","- K0.06 La0.85 Mn Na0.09 O3 -","- K0.36 La5.1 Mn6 Na0.54 O18 -","6","0.166667","","El-Fadli, Z.; Coret, E.; Sapina, F.; Martinez, E.; Beltran, A.; Lloret, F.; Beltran, D.","Low temperature synthesis, structure and magnetic properties of La0.85 (Na1-x Kx)0.15 Mn O3 perovskites: the role of A cation size disparity in the electronic properties of mixed-valence manganates","Journal of Materials Chemistry","1999","9","","1793","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221025","5.5036","","5.5036","","13.3945","","90","","90","","120","","351.359","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.85 K0.15) Mn O3","","- K0.15 La0.85 Mn O3 -","- K0.15 La0.85 Mn O3 -","- K0.9 La5.1 Mn6 O18 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Coret, E.; Martinez, E.; Beltran, A.; Beltran, D.; Lloret, F.","Low temperature synthesis, structure and magnetic properties of La0.85 (Na1-x Kx)0.15 Mn O3 perovskites: the role of A cation size disparity in the electronic properties of mixed-valence manganates","Journal of Materials Chemistry","1999","9","","1793","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221037","9.457","","4.984","","8.346","","90","","92.07","","90","","393.121","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Ba (Mn P O4)2 (H2 O)","","- Ba H2 Mn2 O9 P2 -","- Ba Mn2 O9 P2 -","- Ba2 Mn4 O18 P4 -","2","0.5","","Escobal, J.; Mesa, J.L.; Pizarro, J.L.; Lezama, L.; Olazcuaga, R.; Rojo, T.","Hydrothermal synthesis, structural, spectroscopic and magnetic studies of a lamellar phosphate: Ba (Mn P O4)2 . (H2 O)","Journal of Materials Chemistry","1999","9","","2691","2695","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221039","18.0071","","5.5979","","5.592","","90","","90","","90","","563.684","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li2 Sr (Nb2 O7)","","- Li2 Nb2 O7 Sr -","- Li2 Nb2 O7 Sr -","- Li8 Nb8 O28 Sr4 -","4","0.25","","Floros, N.; Raveau, B.; Hervieu, M.; Michel, C.","New n=2 members of the Li2 Srn-1 Mn O3n+1 family, closely related to the Ruddlesden-Popper phases: structure and non-stoichiometry","Journal of Materials Chemistry","1999","9","","3101","3106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221048","5.5172","","5.5149","","25.08069","","90","","90","","90","","763.125","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","Sr Bi2 (Nb2 O9)","","- Bi2 Nb2 O9 Sr -","- Bi1.99 Nb2 O9 Sr1.01 -","- Bi7.96 Nb8 O36 Sr4.04 -","4","0.5","","Ismunandar; Kennedy, B.J.","Effect of temperature on cation disorder in A Bi2 Nb2 O9 (A = Sr, Ba)","Journal of Materials Chemistry","1999","9","","541","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221049","3.939","","3.939","","25.6364","","90","","90","","90","","397.767","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ba Bi2 (Nb2 O9)","","- Ba Bi2 Nb2 O9 -","- Ba Bi2 Nb2 O9 -","- Ba2 Bi4 Nb4 O18 -","2","0.0625","","Ismunandar; Kennedy, B.J.","Effect of temperature on cation disorder in A Bi2 Nb2 O9 (A = Sr, Ba)","Journal of Materials Chemistry","1999","9","","541","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221065","5.87766","","7.66068","","5.41051","","90","","90","","90","","243.618","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd Mn0.96 O2.886","","- Mn0.96 Nd O2.886 -","- Mn0.96 Nd O2.886 -","- Mn3.84 Nd4 O11.544 -","4","0.5","","Maguire, E.T.; Coats, A.M.; West, A.R.; Skakle, J.M.S.","Stoichiometry and defect structure of 'Nd Mn O3'","Journal of Materials Chemistry","1999","9","","1337","1346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221066","5.78808","","7.5564","","5.41013","","90","","90","","90","","236.623","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nd0.984 Mn O2.915","","- Mn Nd0.984 O2.915 -","- Mn Nd0.984 O2.915 -","- Mn4 Nd3.936 O11.66 -","4","0.5","","Maguire, E.T.; Coats, A.M.; Skakle, J.M.S.; West, A.R.","Stoichiometry and defect structure of 'Nd Mn O3'","Journal of Materials Chemistry","1999","9","","1337","1346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221072","18.25969","","18.25969","","18.25969","","90","","90","","90","","6088.08","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","(Ba Cu1.0623 O2.059) (C O2)0.1364","","- C0.1364 Ba Cu1.0623 O2.3318 -","- C0.136364 Ba Cu1.06227 O2.33182 -","- C12 Ba88 Cu93.48 O205.2 -","88","0.916667","","Peitola, K.; Karppinen, M.; Rundloef, H.; Tellgren, R.; Yamauchi, H.; Niinisto, L.","Structural changes related to changes in oxygen stoichiometry in the Ba1-y Cu O2+d (C O2)x system as determined by powder X-ray and neutron diffraction","Journal of Materials Chemistry","1999","9","","2599","2603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221073","18.2334","","18.2334","","18.2334","","90","","90","","90","","6061.82","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","(Ba Cu1.0623 O1.98) (C O2)0.1282","","- C0.1282 Ba Cu1.0623 O2.2364 -","- C0.128182 Ba Cu1.06227 O2.23636 -","- C11.28 Ba88 Cu93.48 O196.8 -","88","0.916667","","Peitola, K.; Karppinen, M.; Niinisto, L.; Tellgren, R.; Rundloef, H.; Yamauchi, H.","Structural changes related to changes in oxygen stoichiometry in the Ba1-y Cu O2+d (C O2)x system as determined by powder X-ray and neutron diffraction","Journal of Materials Chemistry","1999","9","","2599","2603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221074","6.6736","","5.3543","","11.9005","","90","","92.615","","90","","424.791","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K1.012 P2 W6 O22","","- K1.012 O22 P2 W6 -","- K1.012 O22 P2 W6 -","- K1.012 O22 P2 W6 -","1","0.25","","Roussel, P.; Drouard, S.; Groult, D.; Labbe, P.H.; Schlenker, C.; Dumas, J.","Crystal structure and electrical properties of K2 P4 W12 O44, the m=6 member of the series of low-dimensional conductors Kx (P O2)4 (W O3)2m","Journal of Materials Chemistry","1999","9","","973","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","141108","2020-10-21","18:00:00",""
"7221075","3.3534","","3.3534","","42.51","","90","","90","","120","","413.992","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Zn3 In2 O6","","- In2 O6 Zn3 -","- In2 O6 Zn3 -","- In6 O18 Zn9 -","3","0.0833333","","Schinzer, C.; Matar, S.F.; Heyd, F.","Zn3 In2 O6 - crystallographic and electronic structure","Journal of Materials Chemistry","1999","9","","1569","1573","","","","","","","","","","","","","","","","","","","","","","has coordinates","141114","2020-10-21","18:00:00",""
"7221076","8.2788","","9.5757","","4.9158","","90","","90","","90","","389.702","","","","","","","","","","","","","5","I m m 2","I 2 -2","44","","Sr2 (Al2 Si10 N14 O4)","","- Al2 N14 O4 Si10 Sr2 -","- Al2 N14 O4 Si10 Sr2 -","- Al2 N14 O4 Si10 Sr2 -","1","0.125","","Shen, Z.-J.; Esmaeilzadeh, S.; Grins, J.; Ehrenberg, H.","Preparation and crystal structure of a new Sr containing sialon phase Sr2 Alx Si12-x N16-x O2+x (x=2)","Journal of Materials Chemistry","1999","9","","1019","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","141118","2020-10-21","18:00:00",""
"7221077","5.73116","","5.73116","","13.99109","","90","","90","","120","","397.985","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ti O2.916","","- Ba O2.916 Ti -","- Ba O2.916 Ti -","- Ba6 O17.496 Ti6 -","6","0.25","","Sinclair, D.C.; Skakle, J.M.S.; Morrison, F.D.; Beales, T.P.; Smith, R.I.","Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3","Journal of Materials Chemistry","1999","9","","1327","1331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221078","5.73658","","5.73658","","14.01046","","90","","90","","120","","399.291","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ti O2.88","","- Ba O2.88 Ti -","- Ba O2.879 Ti -","- Ba6 O17.274 Ti6 -","6","0.25","","Sinclair, D.C.; Skakle, J.M.S.; Beales, T.P.; Morrison, F.D.; Smith, R.I.","Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3","Journal of Materials Chemistry","1999","9","","1327","1331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221079","7.0613","","7.2086","","5.5343","","113.328","","84.479","","112.249","","238.94","","","","","","","","","","","","","4","P 1","P 1","1","","Na Bi3 V2 O10","","- Bi3 Na O10 V2 -","- Bi3 Na O10 V2 -","- Bi3 Na O10 V2 -","1","1","","Sinclair, D.C.; Skakle, J.M.S.; Marinou, E.","The crystal structure of a new oxide ion conductor Na Bi3 V2 O10 and oxide ion conductivity in Pb2 Bi2 V2 O10","Journal of Materials Chemistry","1999","9","","2617","2621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221082","3.925","","3.925","","19.089","","90","","90","","90","","294.078","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Li2 La (Ta2 O7)","","- La Li2 O7 Ta2 -","- La Li2 O7 Ta2 -","- La2 Li4 O14 Ta4 -","2","0.0625","","Toda, K.; Teranishi, T.; Takahashi, M.; Ye, Z.-G.; Sato, M.; Hinatsu, Y.","Synthesis and structure determination of reduced tantalates, Li2 La Ta2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure","Journal of Materials Chemistry","1998","9","","799","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221083","3.8927","","3.8927","","26.591","","90","","90","","90","","402.936","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Li2 Ca2 (Ta3 O10)","","- Ca2 Li2 O10 Ta3 -","- Ca2 Li2 O10 Ta3 -","- Ca4 Li4 O20 Ta6 -","2","0.0625","","Toda, K.; Takahashi, M.; Teranishi, T.; Hinatsu, Y.; Sato, M.; Ye, Z.-G.","Synthesis and structure determination of reduced tantalates, Li2 LaTa2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure","Journal of Materials Chemistry","1998","9","","799","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","141142","2020-10-21","18:00:00",""
"7221084","3.8607","","3.8607","","29.216","","90","","90","","90","","435.465","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Na Ca2 (Ta3 O10)","","- Ca2 Na O10 Ta3 -","- Ca2 Na O10 Ta3 -","- Ca4 Na2 O20 Ta6 -","2","0.0625","","Toda, K.; Ye, Z.-G.; Takahashi, M.; Teranishi, T.; Sato, M.; Hinatsu, Y.","Synthesis and structure determination of reduced tantalates, Li2 LaTa2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure","Journal of Materials Chemistry","1998","9","","799","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221085","3.8872","","3.8872","","28.655","","90","","90","","90","","432.986","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Na2 Ca2 (Ta3 O10)","","- Ca2 Na2 O10 Ta3 -","- Ca2 Na2 O10 Ta3 -","- Ca4 Na4 O20 Ta6 -","2","0.0625","","Toda, K.; Sato, M.; Takahashi, M.; Teranishi, T.; Ye, Z.-G.; Hinatsu, Y.","Synthesis and structure determination of reduced tantalates, Li2 LaTa2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure","Journal of Materials Chemistry","1998","9","","799","803","","","","","","","","","","","","","","","","","","","","","","has coordinates","141144","2020-10-21","18:00:00",""
"7221086","6.8782","","4.0057","","9.6939","","90","","90.11","","90","","267.086","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Bi2 (U O5.94)","","- Bi2 O5.94 U -","- Bi2 O5.94 U -","- Bi4 O11.88 U2 -","2","0.5","","Vannier, R.N.; Thery, O.; Kinowski, C.; Huve, M.; van Tendeloo, G.; Abraham, F.; Suard, E.","Zr substituted bismuth uranate","Journal of Materials Chemistry","1999","9","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221087","6.8949","","4.0051","","9.691","","90","","90.08","","90","","267.614","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Bi2 ((U0.9 Zr0.1) O5.82)","","- Bi2 O5.82 U0.9 Zr0.1 -","- Bi2 O5.82 U0.9 Zr0.1 -","- Bi4 O11.64 U1.8 Zr0.2 -","2","0.5","","Vannier, R.N.; Huve, M.; Thery, O.; Kinowski, C.; van Tendeloo, G.; Suard, E.; Abraham, F.","Zr substituted bismuth uranate","Journal of Materials Chemistry","1999","9","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","141149","2020-10-21","18:00:00",""
"7221088","4.0136","","4.0136","","9.6474","","90","","90","","120","","134.589","","","","","","","","","","","","","4","P -3","-P 3","147","","Bi2 ((U0.65 Zr0.35) O5.72)","","- Bi2 O5.72 U0.65 Zr0.35 -","- Bi2 O5.72 U0.65 Zr0.35 -","- Bi2 O5.72 U0.65 Zr0.35 -","1","0.166667","","Vannier, R.N.; Thery, O.; van Tendeloo, G.; Kinowski, C.; Huve, M.; Suard, E.; Abraham, F.","Zr substituted bismuth uranate","Journal of Materials Chemistry","1999","9","","435","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","141150","2020-10-21","18:00:00",""
"7221089","13.0582","","8.6526","","8.7247","","90","","115.443","","90","","890.173","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li2 V2 (S O4)3","","- Li2 O12 S3 V2 -","- Li2 O12 S3 V2 -","- Li8 O48 S12 V8 -","4","0.5","","Vaughan, G.M.B.; Quarton, M.; Gaubicher, J.; le Mercier, T.; Angenault, J.; Chabre, Y.","Crystal structure of the end product of electrochemical lithium intercalation in V2 (S O4)3","Journal of Materials Chemistry","1999","9","","2809","2812","","","","","","","","","","","","","","","","","","","","","","has coordinates","141172","2020-10-21","18:00:00",""
"7221090","3.94611","","3.9578","","7.62294","","90","","90","","90","","119.054","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Sm Ba Fe2 O5.036","","- Ba Fe2 O5.036 Sm -","- Ba Fe2 O5.036 Sm -","- Ba Fe2 O5.036 Sm -","1","0.125","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE= Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221091","3.95091","","3.95091","","7.64129","","90","","90","","90","","119.278","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Sm Ba Fe2 O5.091","","- Ba Fe2 O5.091 Sm -","- Ba Fe2 O5.091 Sm -","- Ba Fe2 O5.091 Sm -","1","0.0625","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221092","3.9397","","3.9397","","7.75526","","90","","90","","90","","120.371","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Sm Ba Fe2 O5.498","","- Ba Fe2 O5.498 Sm -","- Ba Fe2 O5.5 Sm -","- Ba Fe2 O5.5 Sm -","1","0.0625","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221093","3.96204","","3.96204","","7.67731","","90","","90","","90","","120.517","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Nd Ba Fe2 O5.129","","- Ba Fe2 Nd O5.129 -","- Ba Fe2 Nd O5.13 -","- Ba Fe2 Nd O5.13 -","1","0.0625","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221094","3.94992","","3.94992","","7.77414","","90","","90","","90","","121.291","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Nd Ba Fe2 O5.5","","- Ba Fe2 Nd O5.5 -","- Ba Fe2 Nd O5.5 -","- Ba Fe2 Nd O5.5 -","1","0.0625","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221095","3.93723","","3.9483","","7.78524","","90","","90","","90","","121.024","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Nd Ba Fe2 O5.69","","- Ba Fe2 Nd O5.69 -","- Ba Fe2 Nd O5.69 -","- Ba Fe2 Nd O5.69 -","1","0.125","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221096","15.54166","","3.90558","","7.9773","","90","","90","","90","","484.216","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Nd2 Ba2 Fe4 O11","","- Ba2 Fe4 Nd2 O11 -","- Ba2 Fe4 Nd2 O11 -","- Ba4 Fe8 Nd4 O22 -","2","0.25","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","141179","2020-10-21","18:00:00",""
"7221097","15.47744","","3.89602","","7.96825","","90","","90","","90","","480.489","","","","","","","","","","","","","4","P m n a","-P 2ac 2","53","","Sm2 Ba2 Fe4 O11","","- Ba2 Fe4 O11 Sm2 -","- Ba2 Fe4 O11 Sm2 -","- Ba4 Fe8 O22 Sm4 -","2","0.25","","Karen, P.; Woodward, P.M.","Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)","Journal of Materials Chemistry","1998","9","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","141180","2020-10-21","18:00:00",""
"7221102","13.2293","","13.2293","","5.25472","","90","","90","","120","","796.442","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Mn6.867 (O H)3 (V O4)3.602 (V2 O7)0.199","","- H3 Mn6.867 O18.801 V4 -","- Mn6.868 O18.801 V4 -","- Mn13.736 O37.602 V8 -","2","0.166667","","Zhang, F.; Zavalii, P.Yu.; Whittingham, M.S.","Synthesis and characterisation of a pipe-structure manganese vanadium oxide by hydrothermal reaction","Journal of Materials Chemistry","1999","9","","3137","3140","","","","","","","","","","","","","","","","","","","","","","has coordinates","141209","2020-10-21","18:00:00",""
"7222629","6.985","","6.985","","6.165","","90","","90","","120","","260.493","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Hg2 (N H) Br2","","- Br2 H Hg2 N -","- Br2 Hg2 N -","- Br4 Hg4 N2 -","2","0.333333","","Brodersen, K.; Ruedorff, W.","Ueber die Struktur des Hg2 N H Br2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","164","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222690","9.48","","4.16","","18.35","","90","","90","","90","","723.665","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na Hg Cl3","","- Cl3 Hg Na -","- Cl3 Hg Na -","- Cl12 Hg4 Na4 -","4","0.5","","Weiss, A.; Damm, K.","Zur Kenntnis des Natrium-trichloromercurats(II)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","82","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222691","11.89","","6.08","","11.76","","90","","90","","90","","850.145","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","(Hg Br2) (Hg O)4","","- Br2 Hg5 O4 -","- Br2 Hg5 O4 -","- Br8 Hg20 O16 -","4","0.25","","Weiss, A.; Nagorsen, G.","Zur Kenntnis des Quecksilber(II)oxybromids Hg Br2 (Hg O)4: Ueber Quecksilberhalogenide V","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","237","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","164153","2020-10-21","18:00:00",""
"7222830","9.34","","7","","9.3","","90","","89.29","","90","","607.987","","","","","","","","","","","","","1","C 1 2/c 1","-C 2yc","15","","Mg U O4","","- U -","- U -","- U8 -","8","1","","Ruedorff, W.; Pfitzer, F.","Ueber Erdalkaliuranate(VI) und ihre Reduktionsprodukte","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","568","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222962","11.5","","6.02","","11.75","","90","","90","","90","","813.452","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Hg5 O4 Cl2","","- Cl2 Hg5 O4 -","- Cl2 Hg5 O4 -","- Cl8 Hg20 O16 -","4","0.25","","Weiss, A.; Nagorsen, G.","Zur Kenntnis des Quecksilber(II)oxychlorids Hg Cl2 (Hg O)4. Ueber Quecksilberhalogenide III","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1954","9","","81","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","169038","2020-10-21","18:00:00",""
"7223830","4.481","","4.481","","10.26","","90","","90","","90","","206.014","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Cu0.66 Eu Te2 -","- Cu0.66 Eu Te2 -","- Cu1.32 Eu2 Te4 -","2","0.125","","Patschke, R.; Kanatzidis, M.G.; Brazis, P.; Kannewurf, C.R.","Cu0.66 Eu Te2, K Cu2 Eu Te4 and Na0.2 Ag2.8 Eu Te4: compounds with modulated square Te nets","Journal of Materials Chemistry","1999","9","","2293","2296","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7232147","11.669","0.0015","13.2521","0.0012","15.392","0.002","97.117","0.009","104.178","0.011","115.42","0.011","2011.7","0.5","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Mo2 N4 O21 -","- C34 H28 Mo2 N4 O21 -","- C68 H56 Mo4 N8 O42 -","2","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","1.54184","CuKα","","0.1083","0.0769","","","0.2138","0.2387","","","","","","1.037","","","","has coordinates","213001","2020-10-21","18:00:00",""
"7232148","7.6683","0.0003","12.0711","0.0003","22.2111","0.0006","90","","90","","90","","2055.97","0.11","173","0.14","173","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl Mo N O10 -","- C14 H28 Cl Mo N O10 -","- C56 H112 Cl4 Mo4 N4 O40 -","4","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","0.71073","MoKα","","0.0618","0.0505","","","0.0805","0.0857","","","","","","1.059","","","","has coordinates","213001","2020-10-21","18:00:00",""
"7232149","9.7975","0.0003","13.8912","0.0007","18.5268","0.0008","100.57","0.004","94.254","0.003","101.331","0.004","2414.44","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 K2 Mo5 N12 O28 -","- C30 H38 K2 Mo5 N12 O28 -","- C60 H76 K4 Mo10 N24 O56 -","2","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","1.54184","CuKα","","0.0487","0.0465","","","0.1276","0.1299","","","","","","1.046","","","","has coordinates,has disorder","213001","2020-10-21","18:00:00",""
"7232150","21.9484","0.0004","15.2878","0.0003","15.523","0.0003","90","","103.66","0.002","90","","5061.3","0.17","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Mo5 N12 O29 S -","- C30 H42 Mo5 N12 O29 S -","- C120 H168 Mo20 N48 O116 S4 -","4","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","1.54184","CuKα","","0.0462","0.0446","","","0.1137","0.1153","","","","","","1.052","","","","has coordinates,has disorder","213001","2020-10-21","18:00:00",""
"7232151","10.136","0.003","10.925","0.003","11.309","0.003","104.454","0.003","109.13","0.003","91.112","0.004","1138.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O8 S -","- C24 H26 N2 O8 S -","- C48 H52 N4 O16 S2 -","2","1","","Liu, Honglei; Lin, Yan; Zhao, Yan; Xiao, Miaoren; Zhou, Leijie; Wang, Qijun; Zhang, Cheng; Wang, Dongqi; Kwon, Ohyun; Guo, Hongchao","Phosphine-Promoted [4 + 3] Annulation of Allenoate with Aziridines for Synthesis of Tetrahydroazepines: Phosphine-Dependent [3 + 3] and [4 + 3] Pathways.","RSC advances","2019","9","3","1214","1221","10.1039/C8RA09852B","","","0.71073","MoKα","","0.0526","0.0386","","","0.0926","0.1001","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232152","11.0094","0.0004","6.077","0.0002","12.4535","0.0004","90","","103.675","0.002","90","","809.57","0.05","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H30 O5 -","- C15 H30 O5 -","- C30 H60 O10 -","2","1","","Li, Yingxin; Zhang, Fengli; Banakar, Shivakumar; Li, Zhiyong","Bortezomib-induced new bergamotene derivatives xylariterpenoids H–K from sponge-derived fungus Pestalotiopsis maculans 16F-12","RSC Advances","2019","9","2","599","","10.1039/C8RA08209J","","","1.54178","CuKα","","0.0274","0.0258","","","0.0651","0.0663","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232161","16.195","0.00059","9.7552","0.00029","16.7533","0.0008","90","","101.771","0.0015","90","","2591.12","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H54 N4 O7 S2 -","- C62 H54 N4 O7 S2 -","- C124 H108 N8 O14 S4 -","2","0.5","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium–pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1966","0.0734","","","0.1328","0.17","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232162","9.6828","0.0002","11.6284","0.0003","11.7511","0.0003","90","","100.038","0.0008","90","","1302.87","0.05","190","2","190","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H28 N2 O3 S -","- C32 H28 N2 O3 S -","- C64 H56 N4 O6 S2 -","2","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium–pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.05","0.0393","","","0.084","0.0903","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232163","29.4101","0.001","8.4373","0.0002","30.7626","0.0011","90","","115.777","0.002","90","","6873.9","0.4","190","2","190","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H34 N2 O3 S -","- C35 H34 N2 O3 S -","- C280 H272 N16 O24 S8 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium–pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.168","0.0738","","","0.1717","0.2083","","","","","","0.986","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232164","8.2062","0.0002","18.5089","0.0006","24.6576","0.0008","90","","90","","90","","3745.19","0.19","190","2","190","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C192 H152 Cl8 N16 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium–pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1556","0.061","","","0.1111","0.1384","","","","","","0.953","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232165","15.3118","0.0003","9.8222","0.0002","26.0811","0.0006","90","","90","","90","","3922.48","0.14","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Br N2 O -","- C21 H21 Br N2 O -","- C168 H168 Br8 N16 O8 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1688","0.0834","","","0.2285","0.2786","","","","","","1.03","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232166","6.3041","0.0016","12.0699","0.0017","14.252","0.003","88.684","0.012","79.885","0.012","89.121","0.014","1067.2","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C50 H42 Cl2 N4 O6 -","2","1","","Chen, Bo; Chu, Wen-Dao; Liu, Quan-Zhong","Formal [4 + 1] cycloaddition of in situ generated 1,2-diaza-1,3-dienes with diazo esters: facile approaches to dihydropyrazoles containing a quaternary center","RSC Advances","2019","9","3","1487","","10.1039/C8RA08909D","","","1.54178","CuKα","","0.0745","0.0582","","","0.1608","0.1693","","","","","","1.119","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232167","8.3129","0.0008","6.2896","0.0006","12.7052","0.0012","90","","93.007","0.004","90","","663.37","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Ag N2 O6 P2 -","- C10 H11 Ag N2 O6 P2 -","- C20 H22 Ag2 N4 O12 P4 -","2","0.5","","Rendošová, Michaela; Gyepes, Róbert; Almáši, Miroslav; Bártová, Ingrida; Vargová, Zuzana","Silver(i) pyridylphosphonates ‒ synthesis, structure, stability and light-insensitivity investigation","RSC Advances","2019","9","3","1570","","10.1039/C8RA10136A","","","0.71073","MoKα","","0.022","0.0197","","","0.0494","0.0511","","","","","","1.063","","","","has coordinates","213043","2020-10-21","18:00:00",""
"7232168","5.8965","0.0002","31.1708","0.0012","13.785","0.0005","90","","101.007","0.001","90","","2487.05","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Ag7 N4 O12 P3 -","- C15 H12 Ag7 N4 O12 P3 -","- C60 H48 Ag28 N16 O48 P12 -","4","1","","Rendošová, Michaela; Gyepes, Róbert; Almáši, Miroslav; Bártová, Ingrida; Vargová, Zuzana","Silver(i) pyridylphosphonates ‒ synthesis, structure, stability and light-insensitivity investigation","RSC Advances","2019","9","3","1570","","10.1039/C8RA10136A","","","0.71073","MoKα","","0.0388","0.0258","","","0.0414","0.0441","","","","","","1.074","","","","has coordinates","213043","2020-10-21","18:00:00",""
"7232176","8.7151","0.0013","13.061","0.002","27.254","0.004","90","","94.409","0.002","90","","3093.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 F6 N5 O P Ru -","- C31 H26 Cl2 F6 N5 O P Ru -","- C124 H104 Cl8 F24 N20 O4 P4 Ru4 -","4","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1963","0.0704","","","0.1318","0.1879","","","","","","0.928","","","","has coordinates,has disorder","213093","2020-10-21","18:00:00",""
"7232177","20.524","0.004","8.2372","0.0014","25.346","0.005","90","","137.909","0.003","90","","2872.3","0.9","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cl2 F6 N5 P Ru -","- C29 H20 Cl2 F6 N5 P Ru -","- C116 H80 Cl8 F24 N20 P4 Ru4 -","4","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1348","0.0483","","","0.0742","0.108","","","","","","0.9724","","","","has coordinates,has disorder","213093","2020-10-21","18:00:00",""
"7232178","8.599","0.003","8.943","0.003","20.08","0.006","77.361","0.003","79.622","0.003","89.26","0.004","1481.5","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl N7 O9 Ru -","- C29 H22 Cl N7 O9 Ru -","- C58 H44 Cl2 N14 O18 Ru2 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1053","0.0707","","","0.183","0.2038","","","","","","1.073","","","","has coordinates,has disorder","213093","2020-10-21","18:00:00",""
"7232179","16.77","0.006","17.343","0.007","11.916","0.005","90","","101.073","0.006","90","","3401","2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl F6 N5 O8 Ru S2 -","- C31 H24 Cl F6 N5 O8 Ru S2 -","- C124 H96 Cl4 F24 N20 O32 Ru4 S8 -","4","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.257","0.0843","","","0.1255","0.1839","","","","","","0.93","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232180","9.01","0.002","11.91","0.003","18.237","0.006","102.237","0.005","97.412","0.005","111.015","0.003","1739.7","0.8","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H26 Cl F12 N5 O3 P2 Ru -","- C29 H24 Cl F12 N5 O3 P2 Ru -","- C58 H48 Cl2 F24 N10 O6 P4 Ru2 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.1356","0.0628","","","0.1225","0.153","","","","","","1.0147","","","","has coordinates","213093","2020-10-21","18:00:00",""
"7232181","7.7286","0.0012","12.0747","0.0018","14.592","0.002","81.76","0.002","89.511","0.002","77.947","0.002","1317.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 B Cl2 F4 N5 Ru -","- C29 H20 B Cl2 F4 N5 Ru -","- C58 H40 B2 Cl4 F8 N10 Ru2 -","2","1","","Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi","Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands","RSC Advances","2019","9","4","2002","","10.1039/C8RA08943D","","","0.71073","MoKα","","0.0479","0.0312","","","0.0609","0.0728","","","","","","1.0393","","","","has coordinates","213093","2020-10-21","18:00:00",""
"7232182","37.4012","0.0011","23.0052","0.0007","7.1553","0.0002","90","","90","","90","","6156.6","0.3","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","MIL53(In)_OH","","","- C8 H4 In O8 -","- C8 H4 In O8 -","- C128 H64 In16 O128 -","16","1","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0382","0.0361","","","0.1388","0.1412","","","","","","1.071","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232183","17.4254","0.0009","7.2516","0.0003","13.3713","0.0006","90","","90","","90","","1689.62","0.14","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","MIL53(In)_Br","","","- C8 Br In O5 -","- C8 Br1.04 In O5 -","- C32 Br4.16 In4 O20 -","4","0.25","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0486","0.0435","","","0.1183","0.1235","","","","","","1.058","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232184","18.629","0.0009","7.3019","0.0004","11.4527","0.0006","90","","90","","90","","1557.88","0.14","293","2","293","2","","","","","","","","4","I m m a","-I 2b 2","74","MIL53(In)_NO2","","","- C8 In N O9 -","- C8 In N O9 -","- C32 In4 N4 O36 -","4","0.25","","Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin","New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility","RSC Advances","2019","9","4","1918","","10.1039/C8RA08522F","","","0.71073","MoKα","","0.0444","0.0382","","","0.1493","0.1566","","","","","","1.042","","","","has coordinates","213094","2020-10-21","18:00:00",""
"7232218","18.0059","0.0011","9.9966","0.0006","32.4734","0.0019","90","","100.57","0.003","90","","5746","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C60-Ph-OMe-pyridine","","","- C92 H42 N2 O2 -","- C92 H42 N2 O2 -","- C368 H168 N8 O8 -","4","1","","Ai, Min; Li, Jie; Ji, Zijuan; Wang, Chuanhui; Li, Rui; Dai, Wei; Chen, Muqing","Synthesis, crystal structure, self-assembly of C60 derivatives bearing rigid pyridine substituents","RSC Advances","2019","9","6","3050","","10.1039/C8RA09893J","","","1.0331","synchrotron","","0.1756","0.1361","","","0.3244","0.3484","","","","","","1.093","","","","has coordinates,has disorder","213280","2020-10-21","18:00:00",""
"7232219","12.2247","0.0005","17.6302","0.0007","16.1153","0.0007","90","","98.108","0.001","90","","3438.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 N9 O7 Tb -","- C40 H22 N9 O7 Tb -","- C160 H88 N36 O28 Tb4 -","4","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0493","0.0316","","","0.063","0.0694","","","","","","1.017","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232220","10.5943","0.0018","13.708","0.002","14.497","0.002","78.663","0.003","80.397","0.003","68.379","0.003","1908.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Eu N9 O6 -","- C46 H26 Eu N9 O6 -","- C92 H52 Eu2 N18 O12 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0433","0.0348","","","0.0749","0.0789","","","","","","1.067","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232221","9.6004","0.0005","11.0929","0.0006","12.7617","0.0007","68.409","0.001","71.453","0.001","74.647","0.001","1181.14","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 N4 O6 Tb -","- C26 H15 N4 O6 Tb -","- C52 H30 N8 O12 Tb2 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.026","0.0227","","","0.0525","0.0543","","","","","","1.059","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232222","9.434","0.004","9.625","0.003","12.739","0.004","107.69","0.04","92.975","0.007","100.613","0.009","1076","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Eu N4 O6 -","- C24 H15 Eu N4 O6 -","- C48 H30 Eu2 N8 O12 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0795","0.055","","","0.0955","0.1069","","","","","","1.019","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232223","10.6094","0.0006","13.7009","0.0007","14.5285","0.0007","78.738","0.001","80.42","0.001","68.369","0.001","1914.96","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 N9 O6 Sm -","- C46 H26 N9 O6 Sm -","- C92 H52 N18 O12 Sm2 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0511","0.0391","","","0.0768","0.0824","","","","","","1.03","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232224","9.425","0.003","9.631","0.003","12.716","0.003","107.168","0.004","93.018","0.005","100.793","0.004","1076.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 N4 O6 Tb -","- C24 H15 N4 O6 Tb -","- C48 H30 N8 O12 Tb2 -","2","1","","Ren, Shanshan; Jiang, Wei; Wang, Qingwei; Li, Zhimin; Qiao, Yu; Che, Guangbo","Synthesis, structures and properties of six lanthanide complexes based on a 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline ligand","RSC Advances","2019","9","6","3102","","10.1039/C8RA09207A","","","0.71073","MoKα","","0.0654","0.0509","","","0.1121","0.1213","","","","","","1.044","","","","has coordinates","213281","2020-10-21","18:00:00",""
"7232238","11.624","0.0005","14.864","0.0009","22.186","0.0016","97.698","0.005","92.368","0.005","98.312","0.004","3751.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Resorcin[4]arene-Tb","1","","- C66 H94 N O33 Tb2 -","- C66 H74 N O33 Tb2 -","- C132 H148 N2 O66 Tb4 -","2","1","","Zhang, Hang; Wang, Jia-Chen; Jiang, Wei; Zhao, Si-Si","Three resorcin[4]arene-based lanthanide-coordination polymers with multifunctional photoluminescence sensing properties","RSC Advances","2019","9","7","3647","","10.1039/C8RA09777A","","","0.71069","MoKα","","0.2009","0.1461","","","0.2933","0.3284","","","","","","1.107","","","","has coordinates","213365","2020-10-21","18:00:00",""
"7232239","11.573","0.005","14.796","0.005","22.058","0.005","97.762","0.005","92.518","0.005","98.243","0.005","3696","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Resorcin[4]arene-Gd","3","","- C66 H94 Gd2 N O33 -","- C66 H77 Gd2 N O33 -","- C132 H154 Gd4 N2 O66 -","2","1","","Zhang, Hang; Wang, Jia-Chen; Jiang, Wei; Zhao, Si-Si","Three resorcin[4]arene-based lanthanide-coordination polymers with multifunctional photoluminescence sensing properties","RSC Advances","2019","9","7","3647","","10.1039/C8RA09777A","","","0.71069","MoKα","","0.2834","0.1594","","","0.2768","0.3434","","","","","","1.073","","","","has coordinates","213365","2020-10-21","18:00:00",""
"7232240","11.603","0.0007","14.799","0.001","22.027","0.0014","97.853","0.006","92.45","0.005","98.272","0.006","3700.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Resorcin[4]arene-Eu","2","","- C66 H94 Eu2 N O33 -","- C66 H79 Eu2 N O33 -","- C132 H158 Eu4 N2 O66 -","2","1","","Zhang, Hang; Wang, Jia-Chen; Jiang, Wei; Zhao, Si-Si","Three resorcin[4]arene-based lanthanide-coordination polymers with multifunctional photoluminescence sensing properties","RSC Advances","2019","9","7","3647","","10.1039/C8RA09777A","","","0.71069","MoKα","","0.2251","0.139","","","0.2549","0.2958","","","","","","1.113","","","","has coordinates","213365","2020-10-21","18:00:00",""
"7232254","12.0764","0.0017","9.6715","0.0015","20.657","0.004","90","","92.155","0.005","90","","2411","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 Ni O4 -","- C26 H28 N2 Ni O4 -","- C104 H112 N8 Ni4 O16 -","4","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0928","0.0438","","","0.072","0.0868","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232255","10.2574","0.0008","8.8952","0.0007","23.418","0.002","90","","95.19","0.003","90","","2127.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 Ni O6 -","- C22 H24 N2 Ni O6 -","- C88 H96 N8 Ni4 O24 -","4","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0548","0.0324","","","0.0643","0.0714","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232256","9.5476","0.001","10.5561","0.0012","14.4705","0.0016","74.72","0.003","70.961","0.003","70.689","0.003","1281.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 Ni O8 -","- C26 H26 N4 Ni O8 -","- C52 H52 N8 Ni2 O16 -","2","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0419","0.0301","","","0.0681","0.0733","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232257","11.1193","0.0004","18.3316","0.0008","19.041","0.0008","90","","90","","90","","3881.2","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 F6 N2 Ni O4 -","- C16 H18 F6 N2 Ni O4 -","- C128 H144 F48 N16 Ni8 O32 -","8","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0735","0.0386","","","0.0679","0.0789","","","","","","0.993","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232258","6.9179","0.0006","9.6038","0.001","20.21","0.002","103.14","0.003","94.606","0.003","98.49","0.003","1284.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Ni O4 -","- C28 H26 N4 Ni O4 -","- C56 H52 N8 Ni2 O8 -","2","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0448","0.0305","","","0.064","0.0692","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232259","9.8995","0.0005","14.7668","0.0008","16.2988","0.0009","90","","104.652","0.002","90","","2305.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 Ni O4 S2 -","- C22 H24 N2 Ni O4 S2 -","- C88 H96 N8 Ni4 O16 S8 -","4","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0392","0.0264","","","0.0607","0.0667","","","","","","1.052","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232260","15.4162","0.0004","16.3872","0.0006","21.6032","0.0006","90","","96.815","0.003","90","","5419","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 O P4 Pt2 -","- C64 H58 O P4 Pt2 -","- C256 H232 O4 P16 Pt8 -","4","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.1414","0.0432","","","0.0642","0.0709","","","","","","0.622","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232261","8.4528","0.0009","5.4962","0.0009","14.4612","0.0018","90","","99.637","0.011","90","","662.36","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B2 N2 O2 -","- C14 H14 B2 N2 O2 -","- C28 H28 B4 N4 O4 -","2","0.5","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","1.54184","CuKα","","0.0554","0.0494","","","0.1411","0.1474","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232262","12.6111","0.0006","14.3974","0.0007","14.9326","0.0007","68.803","0.005","66.072","0.005","88.19","0.004","2289.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H58 B2 O5 P2 Pt -","- C50 H58 B2 O5 P2 Pt -","- C100 H116 B4 O10 P4 Pt2 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.036","0.029","","","0.061","0.0623","","","","","","1.004","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232263","13.126","0.0003","12.8989","0.0003","29.1381","0.0006","90","","100.612","0.002","90","","4849.02","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 B2 N2 O3.5 P2 Pt -","- C52 H64 B2 N2 O3.5 P2 Pt -","- C208 H256 B8 N8 O14 P8 Pt4 -","4","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0795","0.0356","","","0.0473","0.05","","","","","","0.786","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232264","8.3489","0.0005","10.4195","0.0006","15.5364","0.0008","100.74","0.005","99.516","0.005","101.387","0.005","1272.74","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 B2 N2 O2 -","- C28 H32 B2 N2 O2 -","- C56 H64 B4 N4 O4 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0814","0.0523","","","0.1109","0.1244","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232265","22.1168","0.001","17.9826","0.0008","17.9976","0.001","90","","90","","90","","7158","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H81 O2 P5 Pt3 -","- C86 H81 O2 P5 Pt3 -","- C344 H324 O8 P20 Pt12 -","4","0.5","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0844","0.0441","","","0.0903","0.1045","","","","","","1.006","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232266","13.4322","0.0003","13.6477","0.0004","14.5369","0.0004","70.017","0.002","82.459","0.002","60.926","0.003","2186.9","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 B2 N2 O2 P2 Pt -","- C50 H44 B2 N2 O2 P2 Pt -","- C100 H88 B4 N4 O4 P4 Pt2 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0253","0.0195","","","0.0416","0.0444","","","","","","1.12","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232267","9.9026","0.0005","11.855","0.0005","21.5121","0.0009","94.47","0.003","96.674","0.004","114.62","0.004","2257.84","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H50 B2 N2 O2 P2 Pt -","- C52 H50 B2 N2 O2 P2 Pt -","- C104 H100 B4 N4 O4 P4 Pt2 -","2","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0207","0.0189","","","0.0379","0.0385","","","","","","1.095","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232268","18.1455","0.0003","14.2463","0.0003","33.2215","0.0007","90","","90","","90","","8588","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H52 B2 O4 P2 Pt -","- C47 H52 B2 O4 P2 Pt -","- C376 H416 B16 O32 P16 Pt8 -","8","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0374","0.0289","","","0.0495","0.0516","","","","","","1.234","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232269","13.1742","0.0005","15.301","0.0005","24.3714","0.0013","73.469","0.004","89.111","0.004","87.082","0.003","4703.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 B2 O4 P2 Pt -","- C54 H52 B2 O4 P2 Pt -","- C216 H208 B8 O16 P8 Pt4 -","4","2","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0779","0.0393","","","0.072","0.0838","","","","","","1.039","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232270","22.1926","0.0003","10.46771","0.00015","20.674","0.0003","90","","105.849","0.0016","90","","4620.12","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 B2 N2 O3 P2 Pt -","- C54 H52 B2 N2 O3 P2 Pt -","- C216 H208 B8 N8 O12 P8 Pt4 -","4","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","x-ray","0.71073","MoKα","","0.036","0.0262","","","0.0541","0.0562","","","","","","1.045","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232301","5.2763","0.0004","13.5393","0.0009","14.7358","0.0007","90","","90","","90","","1052.69","0.12","293","2","293","2","","","","","","","fungus","3","P 21 21 21","P 2ac 2ab","19","OK-23","OK-23","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.1121","0.0915","","","0.2209","0.2353","","","","","","1.174","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232302","12.5559","0.0004","10.0704","0.0003","12.2295","0.0004","90","","113.522","0.002","90","","1417.84","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","OK-13","OK-13","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.0761","0.0659","","","0.1644","0.1746","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232303","8.9882","0.0003","9.3953","0.0003","10.2162","0.0004","69.449","0.002","70.162","0.002","66.207","0.002","719.21","0.05","296","2","296","2","","","","","","","","3","P 1","P 1","1","OK-21","OK-21","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.0891","0.0603","","","0.1427","0.1583","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232304","12.4892","0.0003","13.7293","0.0004","14.9296","0.0004","90","","90","","90","","2559.95","0.12","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C104 H128 O48 -","8","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.1066","0.091","","","0.2401","0.2633","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232312","12.7168","0.0014","6.1962","0.0005","9.641","0.0011","90","","91.74","0.01","90","","759.32","0.14","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H14 Br N2 O3 V -","- C15 H14 Br N2 O3 V -","- C30 H28 Br2 N4 O6 V2 -","2","1","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0693","0.0609","","","0.1345","0.1446","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232313","14.1152","0.0007","6.9353","0.0003","15.1466","0.0007","90","","106.842","0.005","90","","1419.15","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cl N2 O3 V -","- C13 H18 Cl N2 O3 V -","- C52 H72 Cl4 N8 O12 V4 -","4","1","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0464","0.0377","","","0.0911","0.0947","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232314","8.9266","0.0004","6.9648","0.0003","21.9606","0.0012","90","","96.547","0.004","90","","1356.43","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N4 O8 V2 -","- C24 H38 N4 O8 V2 -","- C48 H76 N8 O16 V4 -","2","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0604","0.0476","","","0.1019","0.1072","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232315","22.194","0.002","7.5879","0.0007","15.5112","0.0012","90","","97.479","0.01","90","","2590","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H28 Cl2 N4 O6 V2 -","- C22 H28 Cl2 N4 O6 V2 -","- C88 H112 Cl8 N16 O24 V8 -","4","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0595","0.0443","","","0.1015","0.1075","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232316","11.3805","0.0005","11.7754","0.0005","13.5775","0.0005","90.886","0.001","114.586","0.001","112.289","0.001","1498.12","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","(6-(benzoyl)-3-(2-methoxyphenyl)-sydnone imine-4-yl)thio)-(triphenylphosphine)-gold(I)","","- C34 H27 Au N3 O3 P S -","- C34 H27 Au N3 O3 P S -","- C68 H54 Au2 N6 O6 P2 S2 -","2","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","0.71073","MoKα","","0.0188","0.0164","","","0.035","0.0358","","","","","","1.069","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232317","11.2078","0.0004","16.0505","0.0006","16.8226","0.0007","74.625","0.002","88.792","0.002","85.859","0.002","2910.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(5-benzamide-3-(2-methoxyphenyl)-1,2,3-oxadiazol-3-ium-4-yl)triphenylborate","","- C35 H30.5 B N3 O3.25 -","- C34 H28 B N3 O3 -","- C136 H112 B4 N12 O12 -","4","2","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","1.54178","CuKα","","0.0669","0.06","","","0.1661","0.1717","","","","","","1.04","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232318","23.9648","0.0012","6.5378","0.0003","14.6598","0.0008","90","","92.902","0.001","90","","2293.9","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethyl-N-(1-morpholinyl-1-thioxo-ethan-2-one)-carbamate","","- C9 H14 N2 O4 S -","- C9 H14 N2 O4 S -","- C72 H112 N16 O32 S8 -","8","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","1.54178","CuKα","","0.0293","0.0293","","","0.0733","0.0733","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232319","8.5954","0.0011","11.3147","0.0014","17.4308","0.0019","77.613","0.004","86.366","0.004","70.249","0.004","1558.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","bis((6-(benzoyl)-3-(2-methoxyphenyl)-sydnone imine-4-yl)thio)mercury(II)","","- C32 H24 Hg N6 O6 S2 -","- C32 H24 Hg N6 O6 S2 -","- C64 H48 Hg2 N12 O12 S4 -","2","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","0.71073","MoKα","","0.0205","0.0175","","","0.0359","0.0374","","","","","","1.08","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232320","10.4627","0.0005","11.466","0.0006","13.4682","0.0007","79.335","0.002","68.151","0.002","89.637","0.002","1470.28","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","bis(6-benzoyl-3-(2-methoxyphenyl)-sydnone imine-4-yl)-mercury(II)","","- C32 H24 Hg N6 O6 -","- C32 H24 Hg N6 O6 -","- C64 H48 Hg2 N12 O12 -","2","1","","Freese, Tyll; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Sulfur, mercury, and boron adducts of sydnone imine derived anionic N-heterocyclic carbenes","RSC Advances","2019","9","9","4781","","10.1039/C9RA00294D","","","0.71073","MoKα","","0.0261","0.0237","","","0.049","0.0496","","","","","","1.19","","","","has coordinates","213527","2020-10-21","18:00:00",""
"7232336","11.484","0.0005","14.0467","0.0006","16.5321","0.0007","67.166","0.002","83.813","0.002","67.008","0.002","2259.57","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 F12 N6 O P2 Ru -","- C44 H44 F12 N6 O P2 Ru -","- C88 H88 F24 N12 O2 P4 Ru2 -","2","1","","Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.","Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.","RSC advances","2019","9","9","4942","4947","10.1039/C8RA09764J","","","0.71073","MoKα","","0.0521","0.0426","","","0.0901","0.0952","","","","","","1.093","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232337","11.1852","0.0006","16.4112","0.001","23.1159","0.0013","90","","96.108","0.003","90","","4219.1","0.4","100","","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 F12 N6 P2 Ru -","- C46 H34 F12 N6 P2 Ru -","- C184 H136 F48 N24 P8 Ru4 -","4","1","","Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.","Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.","RSC advances","2019","9","9","4942","4947","10.1039/C8RA09764J","","","0.71073","MoKα","","0.107","0.0611","","","0.1435","0.1676","","","","","","1.016","","","","has coordinates","225353","2020-10-21","18:00:00",""
"7232338","11.3357","0.0009","31.071","0.003","12.8113","0.0011","90","","99.628","0.005","90","","4448.7","0.7","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H38 F12 N6 P2 Ru -","- C48 H38 F12 N6 P2 Ru -","- C192 H152 F48 N24 P8 Ru4 -","4","2","","Rapp, Teresa L.; Wang, Yanfei; Delessio, Maegan A.; Gau, Michael R.; Dmochowski, Ivan J.","Designing Photolabile Ruthenium Polypyridyl Crosslinkers for Hydrogel Formation and Multiplexed, Visible-light Degradation.","RSC advances","2019","9","9","4942","4947","10.1039/C8RA09764J","","","0.71073","MoKα","","0.066","0.0525","","","0.1221","0.1322","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232347","6.4124","0.0014","12.451","0.003","14.248","0.003","101.099","0.004","102.349","0.004","94.856","0.004","1081","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 O3 -","- C26 H22 N4 O3 -","- C52 H44 N8 O6 -","2","1","","Liu, Zengchen; Li, Shujing; Ge, Genwu; Li, Yanxia; Zhao, Chunxiang; Zhang, Hui; Yang, Zhiguang","A novel nitrogen heterocycle platform-based highly selective and sensitive fluorescence chemosensor for the detection of Al3+ and its application in cell imaging","RSC Advances","2019","9","10","5377","","10.1039/C8RA10036E","","","0.71073","MoKα","","0.1059","0.0533","","","0.1232","0.1441","","","","","","0.944","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232357","11.868","0.007","15.208","0.009","13.24","0.008","90","","92.47","0.009","90","","2387","2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl2 N2 O8 -","- C6 H10 Cl2 N2 O8 -","- C48 H80 Cl16 N16 O64 -","8","2","","Gan, Xuecheng; Tang, Zheng; Zhang, Wenjun; Xu, Cong; Sun, Xiaofan; Gao, Zhangran; Wu, Yizhang; Cai, Hong-Ling; Wu, X. S.","Molecular ferroelectric pyridin-2-ylmethanaminium perchlorate with phase transition induced by disorder of perchlorate","RSC Advances","2019","9","10","5470","","10.1039/C8RA10031D","","","0.71073","MoKα","","0.0902","0.0631","","","0.1731","0.2007","","","","","","1.115","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232358","11.7656","0.0006","15.088","0.0008","13.1523","0.0008","90","","91.793","0.0006","90","","2333.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 Cl8 N8 O32 -","- C24 H40 Cl8 N8 O32 -","- C48 H80 Cl16 N16 O64 -","2","1","","Gan, Xuecheng; Tang, Zheng; Zhang, Wenjun; Xu, Cong; Sun, Xiaofan; Gao, Zhangran; Wu, Yizhang; Cai, Hong-Ling; Wu, X. S.","Molecular ferroelectric pyridin-2-ylmethanaminium perchlorate with phase transition induced by disorder of perchlorate","RSC Advances","2019","9","10","5470","","10.1039/C8RA10031D","","","0.71073","MoKα","","0.087","0.0722","","","0.1919","0.2118","","","","","","1.351","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232390","9.5458","0.0004","11.2817","0.0006","18.8823","0.0008","80.822","0.004","83.839","0.003","85.407","0.004","1991.75","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N6 O4 -","- C47 H34 N6 O4 -","- C94 H68 N12 O8 -","2","1","","Yang, Qin; Yin, Zhijian; Zheng, Lifang; Yuan, Jianjun; Wei, Song; Ding, Qiuping; Peng, Yiyuan","Copper-catalyzed cross-dehydrogenative coupling between quinazoline-3-oxides and indoles","RSC Advances","2019","9","11","5870","","10.1039/C8RA09864F","","x-ray","0.71073","MoKα","","0.0873","0.0676","","","0.1988","0.2158","","","","","","1.046","","","","has coordinates,has disorder","213702","2020-10-21","18:00:00",""
"7232443","12.71311","0.00016","23.6491","0.0003","22.677","0.0003","90","","101.732","0.0012","90","","6675.49","0.15","100.02","0.1","100.02","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","2,5-diphenyl-1,3,4-oxadiazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C336 H240 N48 O24 -","24","6","","Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles","RSC Advances","2019","9","12","6636","","10.1039/C9RA00976K","","x-ray","1.54184","CuKα","","0.0777","0.0768","","","0.1996","0.2005","","","","","","1.033","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232444","11.5227","0.0002","3.9692","0.0001","20.5396","0.0004","90","","93.366","0.002","90","","937.78","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,4-dichlorophenyl)-5-methyl-1,3,4-oxadiazole","","- C9 H6 Cl2 N2 O -","- C9 H6 Cl2 N2 O -","- C36 H24 Cl8 N8 O4 -","4","1","","Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles","RSC Advances","2019","9","12","6636","","10.1039/C9RA00976K","","x-ray","1.54184","CuKα","","0.0327","0.0325","","","0.0888","0.0891","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232445","5.3813","0.0001","19.4244","0.0004","7.4718","0.0002","90","","102.454","0.002","90","","762.64","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","2","","Aksenov, Alexander V.; Khamraev, Vladislav; Aksenov, Nicolai A.; Kirilov, Nikita K.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael","Electrophilic activation of nitroalkanes in efficient synthesis of 1,3,4-oxadiazoles","RSC Advances","2019","9","12","6636","","10.1039/C9RA00976K","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0833","0.0845","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232491","19.2963","0.0004","16.3762","0.0004","11.0039","0.0002","90","","90","","90","","3477.23","0.13","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 O6 -","- C38 H50 O6 -","- C152 H200 O24 -","4","1","","Wu, Zhong-Nan; Niu, Qian-Wen; Zhang, Yu-Bo; Luo, Ding; Li, Qing-Guo; Li, Ying-Ying; Kuang, Guang-Kai; He, Li-Jun; Wang, Guo-Cai; Li, Yao-Lan","Hyperpatulones A–F, polycyclic polyprenylated acylphloroglucinols from Hypericum patulum and their cytotoxic activities","RSC Advances","2019","9","14","7961","","10.1039/C9RA00277D","","x-ray","1.54184","CuKα","","0.0972","0.0809","","","0.2226","0.231","","","","","","1.147","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232501","13.2422","0.0007","8.708","0.0005","29.4352","0.0016","90","","96.42","0.003","90","","3373","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C152 H160 N32 O16 -","8","2","","Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.","Synthesis and characterization of ethyl benzotriazolyl acrylate-based D–π–A fluorophores for live cell-based imaging applications","RSC Advances","2019","9","16","8759","","10.1039/C9RA00108E","","","1.54178","CuKα","","0.0435","0.0369","","","0.0944","0.0985","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232502","9.0183","0.0007","8.379","0.0007","23.0425","0.0018","90","","97.233","0.004","90","","1727.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","1","","Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.","Synthesis and characterization of ethyl benzotriazolyl acrylate-based D–π–A fluorophores for live cell-based imaging applications","RSC Advances","2019","9","16","8759","","10.1039/C9RA00108E","","","1.54178","CuKα","","0.0392","0.0366","","","0.0943","0.0962","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232503","17.5573","0.001","6.3237","0.0004","33.7271","0.0019","90","","90","","90","","3744.6","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C168 H176 N32 O24 -","8","2","","Ortega-Villarreal, Ana Sofia; Hernández-Fernández, Eugenio; Jensen, Christopher; Valdivia-Berroeta, Gabriel A.; Garrard, Samuel; López, Israel; Smith, Stacey J.; Christensen, Kenneth A.; Reyes-González, Miguel A.; Michaelis, David J.","Synthesis and characterization of ethyl benzotriazolyl acrylate-based D–π–A fluorophores for live cell-based imaging applications","RSC Advances","2019","9","16","8759","","10.1039/C9RA00108E","","","1.54178","CuKα","","0.0382","0.0362","","","0.0945","0.0958","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232517","4.9698","0.0001","9.7925","0.0003","34.4713","0.0009","90","","90","","90","","1677.61","0.08","119.9","0.6","119.9","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N3 O2 P -","- C16 H17 F3 N3 O2 P -","- C64 H68 F12 N12 O8 P4 -","4","1","","Akbari, Setareh; Khoshnood, Razieh Sanavi; Ahmadabad, Fatemeh Karimi; Pourayoubi, Mehrdad; Dušek, Michal; Shchegravina, Ekaterina S.","The (CF3C(O)NH)(C6H5CH2NH)2P(O) phosphoric triamide as a novel carrier with excellent efficiency for Cu(ii) in a liquid membrane transport system","RSC Advances","2019","9","16","9153","","10.1039/C8RA09118H","","x-ray","1.5418","CuKα","","0.0382","0.0323","","","0.0783","0.0815","","","","1.3","1.3","1.28","","","","has coordinates","214210","2020-10-21","18:00:00",""
"7232518","30.369","0.009","11.838","0.004","36.838","0.011","90","","107.677","0.004","90","","12618","7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Cu2 F12 N15 O13 S8 -","- C32 H43 Cu2 F12 N15 O13 S8 -","- C256 H344 Cu16 F96 N120 O104 S64 -","8","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0606","0.0509","","","0.1173","0.1211","","","","","","1.065","","","","has coordinates,has disorder","214211","2020-10-21","18:00:00",""
"7232519","12.1424","0.0017","15.372","0.002","14.688","0.002","90","","90.086","0.002","90","","2741.6","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 F6 N7 O8 S4 Zn -","- C15 H23 F6 N7 O8 S4 Zn -","- C60 H92 F24 N28 O32 S16 Zn4 -","4","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0297","0.0246","","","0.0615","0.0648","","","","","","1.066","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232520","12.995","0.004","13.604","0.004","14.336","0.004","90","","108.24","0.004","90","","2407","1.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 F12 N14 O14 S8 Zn2 -","- C26 H34 F12 N14 O14 S8 Zn2 -","- C52 H68 F24 N28 O28 S16 Zn4 -","2","0.5","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0574","0.0424","","","0.1069","0.1171","","","","","","1.065","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232521","9.406","0.003","12.823","0.004","42.578","0.014","90","","95.368","0.005","90","","5113","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cu2 F12 N14 O14 S8 -","- C28 H36 Cu2 F12 N14 O14 S8 -","- C112 H144 Cu8 F48 N56 O56 S32 -","4","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.1586","0.1148","","","0.2856","0.3171","","","","","","1.024","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232522","13.697","0.003","14.759","0.003","18.746","0.004","90","","109.166","0.003","90","","3579.5","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N14 O3 S4 Zn2 -","- C25 H38 N14 O3 S4 Zn2 -","- C100 H152 N56 O12 S16 Zn8 -","4","1","","Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo","Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex","RSC Advances","2019","9","16","9049","","10.1039/C9RA01115C","","","0.71073","MoKα","","0.0581","0.0361","","","0.0821","0.0916","","","","","","1.025","","","","has coordinates","214211","2020-10-21","18:00:00",""
"7232527","10.6277","0.0009","9.1356","0.0007","14.4964","0.0013","90","","104.143","0.005","90","","1364.8","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","X-32","","- C32 H42 O4 -","- C32 H42 O4 -","- C64 H84 O8 -","2","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A–F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.0634","0.0554","","","0.137","0.1431","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232528","10.7928","0.0004","10.793","","23.011","0.001","90","","90","","90","","2680.48","0.15","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-55","","- C30 H36 O6 -","- C30 H36 O6 -","- C120 H144 O24 -","4","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A–F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.0527","0.0371","","","0.0924","0.0985","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232529","9.7328","0.0004","16.8465","0.0009","18.139","0.001","90","","90","","90","","2974.1","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-73","","- C32 H41 O6 -","- C32 H41 O6 -","- C128 H164 O24 -","4","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A‒F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.125","0.0948","","","0.2535","0.2836","","","","","","1.065","","","","has coordinates","214287","2020-10-21","18:00:00",""
"7232544","12.646","0.005","12.62","0.005","11.356","0.005","90","0.005","104.91","0.005","90","0.005","1751.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl N5 O8 -","- C14 H16 Cl N5 O8 -","- C56 H64 Cl4 N20 O32 -","4","1","","Mandal, Tripti; Dey, Arka; Pathak, Sudipta; Islam, Md. Maidul; Konar, Saugata; Ortega-Castro, Joaquín; Seth, Saikat Kumar; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts","RSC Advances","2019","9","17","9663","","10.1039/C9RA00666D","","","0.71073","MoKα","","0.0467","0.0406","","","0.1098","0.1148","","","","","","1.035","","","","has coordinates,has disorder","214401","2020-10-21","18:00:00",""
"7232545","10.873","0.005","17.015","0.005","15.789","0.005","90","0.005","93.762","0.005","90","0.005","2914.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl N5 O2 -","- C14 H12 Cl N5 O2 -","- C112 H96 Cl8 N40 O16 -","8","1","","Mandal, Tripti; Dey, Arka; Pathak, Sudipta; Islam, Md. Maidul; Konar, Saugata; Ortega-Castro, Joaquín; Seth, Saikat Kumar; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts","RSC Advances","2019","9","17","9663","","10.1039/C9RA00666D","","","0.71073","MoKα","","0.0442","0.0384","","","0.1032","0.1107","","","","","","1.038","","","","has coordinates,has disorder","214401","2020-10-21","18:00:00",""
"7232546","12.6386","0.0003","12.6389","0.0004","11.2764","0.0003","90","","104.983","0.001","90","","1740.03","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B F4 N5 O4 -","- C14 H16 B F4 N5 O4 -","- C56 H64 B4 F16 N20 O16 -","4","1","","Mandal, Tripti; Dey, Arka; Pathak, Sudipta; Islam, Md. Maidul; Konar, Saugata; Ortega-Castro, Joaquín; Seth, Saikat Kumar; Ray, Partha Pratim; Frontera, Antonio; Mukhopadhyay, Subrata","Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyridone salts","RSC Advances","2019","9","17","9663","","10.1039/C9RA00666D","","","0.71073","MoKα","","0.0491","0.0428","","","0.113","0.1185","","","","","","1.057","","","","has coordinates,has disorder","214401","2020-10-21","18:00:00",""
"7232547","23.832","0.004","7.711","0.001","19.479","0.003","90","","107.35","0.012","90","","3416.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 O4 -","- C15 H17 N5 O4 -","- C120 H136 N40 O32 -","8","2","","Zheng, Ya-Yun; Feng, Kai-Xiang; Xia, Ai-Bao; Liu, Jie; Tang, Cheng-Ke; Zhou, Zhan-Yu; Xu, Dan-Qian","Merging catalyst-free synthesis and iodine catalysis: one-pot synthesis of dihydrofuropyrimidines and spirodihydrofuropyrimidine pyrazolones","RSC Advances","2019","9","17","9770","","10.1039/C9RA01665A","","","1.34139","GaKα","","0.2324","0.1288","","","0.3391","0.4207","","","","","","1.093","","","","has coordinates","214402","2020-10-21","18:00:00",""
"7232548","18.8434","0.0007","9.6451","0.0003","12.5493","0.0005","90","","100.324","0.001","90","","2243.87","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N6 O3 -","- C24 H24 N6 O3 -","- C96 H96 N24 O12 -","4","1","","Zheng, Ya-Yun; Feng, Kai-Xiang; Xia, Ai-Bao; Liu, Jie; Tang, Cheng-Ke; Zhou, Zhan-Yu; Xu, Dan-Qian","Merging catalyst-free synthesis and iodine catalysis: one-pot synthesis of dihydrofuropyrimidines and spirodihydrofuropyrimidine pyrazolones","RSC Advances","2019","9","17","9770","","10.1039/C9RA01665A","","","0.71073","MoKα","","0.0786","0.0584","","","0.1537","0.1739","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232555","12.551","0.001","8.376","0.0004","13.0107","0.0009","90","","90","","90","","1367.78","0.16","297.4","0.3","297.4","","","","","","","","Mineral","4","P n m a","-P 2ac 2n","62","","Curite","","- H8 O32 Pb3.017 U8 -","- H8 O32 Pb3.016 U8 -","- H16 O64 Pb6.032 U16 -","2","0.25","","Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub","Revealing hydrogen atoms in a highly-absorbing material: an X-ray diffraction study and Torque method calculations for lead-uranyl-oxide mineral curite","RSC Advances","2019","9","18","10058","","10.1039/C8RA09557D","","x-ray","0.71073","MoKα","","0.0518","0.0358","","","0.0716","0.0758","","","","1.67","1.67","1.56","","","","has coordinates","214425","2020-10-21","18:00:00",""
"7232562","29.844","0.009","13.822","0.004","19.654","0.007","90","","107.719","0.009","90","","7723","4","293","2","293","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Tetrabromovanadylporphyrin dimer","2,3,12,13-bromo-5,10,15,20-tetraphenylporphyrinatovanadium ?-oxodimer","","- C44 H24 Br4 N4 O0.5 V -","- C44 H24 Br4 N4 O0.5 V -","- C352 H192 Br32 N32 O4 V8 -","8","2","","Dar, Tawseef Ahmad; Tomar, Reshu; Mian, Rasel Mohammad; Sankar, Muniappan; Maurya, Mannar Ram","Vanadyl β-tetrabromoporphyrin: synthesis, crystal structure and its use as an efficient and selective catalyst for olefin epoxidation in aqueous medium","RSC Advances","2019","9","18","10405","","10.1039/C8RA09825E","","","0.71073","MoKα","","0.083","0.0475","","","0.0982","0.1144","","","","","","1.0924","","","","has coordinates","214461","2020-10-21","18:00:00",""
"7232563","10.892","0.003","35.883","0.01","7.838","0.002","90","","100.712","0.003","90","","3010","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Br6 N2 Pb2 -","- C16 H40 Br6 N2 Pb2 -","- C64 H160 Br24 N8 Pb8 -","4","1","","Huang, Yuan; Yang, Jie; Li, Zi-jian; Qian, Kun; Sao, Feng","High-temperature ferroelastic phase transition in a perovskite-like complex: [Et4N]2[PbBr3]2","RSC Advances","2019","9","18","10364","","10.1039/C9RA00804G","","","0.71073","MoKα","","0.1002","0.064","","","0.1499","0.1612","","","","","","1.109","","","","has coordinates","214462","2020-10-21","18:00:00",""
"7232564","10.5952","0.0006","10.5952","0.0006","7.9539","0.0006","90","","90","","120","","773.27","0.09","393","2","393","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C8 H20 Br3 N Pb -","- C7.9968 H19.992 Br3 N0.9996 Pb -","- C15.9936 H39.984 Br6 N1.9992 Pb2 -","2","0.0833333","","Huang, Yuan; Yang, Jie; Li, Zi-jian; Qian, Kun; Sao, Feng","High-temperature ferroelastic phase transition in a perovskite-like complex: [Et4N]2[PbBr3]2","RSC Advances","2019","9","18","10364","","10.1039/C9RA00804G","","","1.54178","CuKα","","0.0826","0.0684","","","0.1252","0.1358","","","","","","1.089","","","","has coordinates,has disorder","214462","2020-10-21","18:00:00",""
"7232582","14.9939","0.0003","16.3893","0.0003","6.8786","0.0001","90","","97.435","0.001","90","","1676.13","0.05","296","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br2 F N3 O2 -","- C16 H14 Br2 F N3 O2 -","- C64 H56 Br8 F4 N12 O8 -","4","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.068","0.0577","","","0.1396","0.1536","","","","","","0.845","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232583","14.8869","0.0003","16.2742","0.0003","7.568","0.00014","90","","105.434","0.0008","90","","1767.4","0.06","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br2 Cl2 N3 O2 -","- C16 H13 Br2 Cl2 N3 O2 -","- C64 H52 Br8 Cl8 N12 O8 -","4","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.0469","0.0453","","","0.1038","0.1049","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232584","13.5124","0.0003","16.6954","0.0003","7.74975","0.00014","90","","106.569","0.001","90","","1675.71","0.06","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br2 F2 N3 O2 -","- C16 H13 Br2 F2 N3 O2 -","- C64 H52 Br8 F8 N12 O8 -","4","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.0535","0.0508","","","0.1224","0.1246","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232585","5.7237","0.0002","16.2252","0.0007","8.9938","0.0004","90","","97.574","0.002","90","","827.95","0.06","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H15 Br2 N3 O2 -","- C16 H15 Br2 N3 O2 -","- C32 H30 Br4 N6 O4 -","2","1","","Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi","Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors","RSC Advances","2019","9","19","10807","","10.1039/C9RA02413A","","","1.54187","CuKα","","0.0766","0.0717","","","0.1801","0.1893","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232592","7.8139","0.0003","12.9798","0.0006","14.228","0.0007","65.084","0.005","80.892","0.004","79.404","0.003","1281.12","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","(1'R*,2'R*,3R*,10b'R*)-1',1''-diphenyl-1',5',6',10b'-tetrahydrodispiro[indoline-3,3'-pyrrolo[2,1-a]isoquinoline-2',3''-pyrrolidine]-2,2'',5''-trione","","- C34 H27 N3 O3 -","- C34 H27 N3 O3 -","- C68 H54 N6 O6 -","2","1","","Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher","Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides","RSC Advances","2019","9","20","11082","","10.1039/C8RA09884K","","x-ray","0.71073","MoKα","","0.0563","0.0423","","","0.0973","0.104","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232593","9.5047","0.0006","11.4368","0.0007","23.899","0.002","90","","90","","90","","2597.9","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'S * ,2'S * ,3S * ,10b'S *)-1'',2'-diphenyl-6',10b'-dihydro-2'H,5'H-dispiro[indoline-3,3'-pyrrolo[2,1-a]isoquinoline-1',3''-pyrrolidine]-2,2'',5''-trione","","- C34 H27 N3 O3 -","- C34 H27 N3 O3 -","- C136 H108 N12 O12 -","4","1","","Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher","Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides","RSC Advances","2019","9","20","11082","","10.1039/C8RA09884K","","","0.71073","MoKα","","0.0679","0.0451","","","0.0785","0.0875","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232594","11.7916","0.0005","9.7185","0.0004","24.5997","0.001","90","","91.888","0.004","90","","2817.5","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'S * ,2'S * ,3S * ,10b'S * ) - 1''-phenyl - 2'-( pyridin-2-yl )- 6',10b'-dihydro-2H,2'H,5'H-dispiro [acenaphthylene-1,3'-pyrrolo[2,1-a]isoquinoline-1',3''-pyrrolidine]-2,2'',5''-trione","","- C37 H27 N3 O3 -","- C37 H27 N3 O3 -","- C148 H108 N12 O12 -","4","1","","Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher","Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides","RSC Advances","2019","9","20","11082","","10.1039/C8RA09884K","","","0.71073","MoKα","","0.0607","0.044","","","0.0934","0.1022","","","","","","1.016","","","","has coordinates,has disorder","301866","2025-08-22","21:38:24",""
"7232595","5.61656","0.0001","18.3134","0.0003","22.9609","0.0006","90","","90","","90","","2361.72","0.08","104.4","","104.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O8 -","- C23 H34 O8 -","- C92 H136 O32 -","4","1","","Zhang, Tao; Zhang, Qiu-Bo; Fu, Lu; Li, Ling-Yu; Ma, Li-Yan; Si, Jin-Guang; Zhang, Hong-Wu; Wei, Jian-He; Yu, Shi-Shan; Zou, Zhong-Mei","New antiproliferative germacranolides from Carpesium divaricatum","RSC Advances","2019","9","20","11493","","10.1039/C9RA00478E","","","1.5418","CuKα","","0.0407","0.0384","","","0.0973","0.1","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232596","9.8307","0.0012","17.7908","0.0013","27.106","0.002","90","","90","","90","","4740.7","0.8","109.45","0.1","109.45","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O9 -","- C24 H34 O9 -","- C192 H272 O72 -","8","2","","Zhang, Tao; Zhang, Qiu-Bo; Fu, Lu; Li, Ling-Yu; Ma, Li-Yan; Si, Jin-Guang; Zhang, Hong-Wu; Wei, Jian-He; Yu, Shi-Shan; Zou, Zhong-Mei","New antiproliferative germacranolides from Carpesium divaricatum","RSC Advances","2019","9","20","11493","","10.1039/C9RA00478E","","x-ray","1.54184","CuKα","","0.0494","0.0459","","","0.1181","0.1213","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232611","13.0024","0.0008","21.9573","0.0013","22.2526","0.0014","90","","90","","90","","6353.1","0.7","296","2","296","2","","","","","","","","7","C c c m","-C 2 2c","66","","","","- C18 H16 Co N14 O17 P0 W5 -","- C18 H14 Co N14 O17 W5 -","- C144 H112 Co8 N112 O136 W40 -","8","0.5","","Wu, Yingying; Li, Xuefei; Liu, Ying; Xiao, Ge; Huang, Yijiao; Li, Yamin; Dang, Dongbin; Bai, Yan","Three novel polyoxometalate-based inorganic‒organic hybrid materials based on 2,6-bis(1,2,4-triazol-1-yl)pyridine","RSC Advances","2019","9","21","11932","","10.1039/C9RA01451A","","","0.71073","MoKα","","0.0428","0.0305","","","0.0621","0.0651","","","","","","1.055","","","","has coordinates","214664","2020-10-21","18:00:00",""
"7232612","30.375","0.004","30.375","0.004","30.375","0.004","90","","90","","90","","28025","6","293","2","293","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C54 H66 Cd3 N42 O92 P2 W24 -","- C54 H42 Cd3 N42 O86 P2 W24 -","- C432 H336 Cd24 N336 O688 P16 W192 -","8","0.166667","","Wu, Yingying; Li, Xuefei; Liu, Ying; Xiao, Ge; Huang, Yijiao; Li, Yamin; Dang, Dongbin; Bai, Yan","Three novel polyoxometalate-based inorganic‒organic hybrid materials based on 2,6-bis(1,2,4-triazol-1-yl)pyridine","RSC Advances","2019","9","21","11932","","10.1039/C9RA01451A","","","0.71073","MoKα","","0.092","0.092","","","0.1887","0.1887","","","","","","1.232","","","","has coordinates","214664","2020-10-21","18:00:00",""
"7232613","11.861","0.003","20.437","0.006","22.536","0.006","90","","93.471","0.004","90","","5453","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag3 Mo12 N14 O41.5 P -","- C18 H14 Ag3 Mo12 N14 O41.5 P -","- C72 H56 Ag12 Mo48 N56 O166 P4 -","4","1","","Wu, Yingying; Li, Xuefei; Liu, Ying; Xiao, Ge; Huang, Yijiao; Li, Yamin; Dang, Dongbin; Bai, Yan","Three novel polyoxometalate-based inorganic‒organic hybrid materials based on 2,6-bis(1,2,4-triazol-1-yl)pyridine","RSC Advances","2019","9","21","11932","","10.1039/C9RA01451A","","","0.71073","MoKα","","0.0384","0.0329","","","0.0757","0.0778","","","","","","1.148","","","","has coordinates","214664","2020-10-21","18:00:00",""
"7232614","8.4226","0.0017","14.002","0.003","16.76","0.003","90","","90","","90","","1976.6","0.7","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl2 N O3 S -","- C19 H19 Cl2 N O3 S -","- C76 H76 Cl8 N4 O12 S4 -","4","1","","Zhang, Minxuan; Lu, Tianyu; Zhao, Yun; Xie, Guixian; Miao, Zhiwei","K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides","RSC Advances","2019","9","21","11978","","10.1039/C9RA00309F","","","0.71073","MoKα","","0.0451","0.0382","","","0.0769","0.0808","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232615","9.1621","0.0002","11.5165","0.0002","17.1645","0.0004","90","","90","","90","","1811.12","0.07","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Zhang, Minxuan; Lu, Tianyu; Zhao, Yun; Xie, Guixian; Miao, Zhiwei","K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides","RSC Advances","2019","9","21","11978","","10.1039/C9RA00309F","","","0.71073","MoKα","","0.0303","0.0281","","","0.0701","0.071","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232616","10.818","0.0011","9.0405","0.0009","10.9871","0.0011","90","","90.798","0.003","90","","1074.44","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O7 S2 -","- C20 H20 N2 O7 S2 -","- C40 H40 N4 O14 S4 -","2","1","","Zhong, Jinlian; Fu, Hongyu; Jia, Xinjian; Lou, Haoxiang; Wan, Tiantian; Luo, Haiqing; Liu, Huijin; Zhong, Dichang; Luo, Xuzhong","A pH-/thermo-responsive hydrogel formed from N,N′-dibenzoyl-l-cystine: properties, self-assembly structure and release behavior of SA","RSC Advances","2019","9","21","11824","","10.1039/C8RA09058K","","","0.71073","MoKα","","0.0682","0.0472","","","0.1061","0.1149","","","","","","1.043","","","","has coordinates","214666","2020-10-21","18:00:00",""
"7232617","19.3734","0.0009","7.6646","0.0004","16.9594","0.0006","90","","110.353","0.004","90","","2361.07","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl)-2-phenylacrylonitrile","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Anandhan, Karnambaram; Cerón, Margarita; Perumal, Venkatesan; Ceballos, Paulina; Gordillo-Guerra, Paola; Pérez-Gutiérrez, Enrique; Castillo, Armando E.; Thamotharan, Subbiah; Percino, M. Judith","Solvatochromism and pH effect on the emission of a triphenylimidazole-phenylacrylonitrile derivative: experimental and DFT studies","RSC Advances","2019","9","21","12085","","10.1039/C9RA01275C","","","1.54178","CuKα","","0.0719","0.0442","","","0.0976","0.1111","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232635","21.1261","0.0006","24.8124","0.0006","9.1976","0.0002","90","","90","","90","","4821.3","0.2","230","","230","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H27 N O7 -","- C27 H27 N O7 -","- C216 H216 N8 O56 -","8","2","","Kang, Jing-Wen; Li, Xiang; Chen, Fei-Yu; Luo, Yuan; Zhang, Shu-Cang; Kang, Bin; Peng, Cheng; Tian, Xu; Han, Bo","Protecting group-directed annulations of tetra-substituted oxindole olefins and sulfur ylides: regio- and chemoselective synthesis of cyclopropane- and dihydrofuran-fused spirooxindoles","RSC Advances","2019","9","22","12255","","10.1039/C9RA02192B","","x-ray","1.54184","CuKα","","0.0612","0.0568","","","0.1589","0.1641","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232636","10.0593","0.0003","14.818","0.0005","14.6664","0.0006","90","","97.286","0.003","90","","2168.5","0.13","230","","230","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O4 -","- C28 H23 N O4 -","- C112 H92 N4 O16 -","4","1","","Kang, Jing-Wen; Li, Xiang; Chen, Fei-Yu; Luo, Yuan; Zhang, Shu-Cang; Kang, Bin; Peng, Cheng; Tian, Xu; Han, Bo","Protecting group-directed annulations of tetra-substituted oxindole olefins and sulfur ylides: regio- and chemoselective synthesis of cyclopropane- and dihydrofuran-fused spirooxindoles","RSC Advances","2019","9","22","12255","","10.1039/C9RA02192B","","x-ray","1.54184","CuKα","","0.0585","0.0544","","","0.1494","0.1536","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:24",""
"7232649","6.1741","0.0011","15.678","0.003","16.411","0.003","90","","90","","90","","1588.5","0.5","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O5 -","- C20 H15 N O5 -","- C80 H60 N4 O20 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.0607","0.0414","","","0.078","0.0864","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232650","8.2229","0.0008","18.1522","0.0017","21.438","0.002","90","","90","","90","","3199.9","0.5","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 N2 O10 -","- C40 H30 N2 O10 -","- C160 H120 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.0454","0.0362","","","0.0738","0.0789","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232651","20.0542","0.0004","11.4435","0.0002","12.2782","0.0002","90","","90","","90","","2817.73","0.09","93","","93","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C32 H30 N2 O10 -","- C32 H30 N2 O10 -","- C128 H120 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","1.54187","CuKα","","0.1202","0.0891","","","0.2399","0.3018","","","","","","1.197","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232652","10.62","0.005","15.369","0.006","21.972","0.009","90","","90","","90","","3586","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 Cl3 N2 O10 -","- C41 H31 Cl3 N2 O10 -","- C164 H124 Cl12 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.149","0.0956","","","0.2672","0.301","","","","","","1.065","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232660","8.0068","0.0007","9.5362","0.001","12.255","0.0009","95.494","0.003","98.424","0.003","97.562","0.004","911.24","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C46 H34 N2 O4 S2 -","2","1","","Mor, Satbir; Sindhu, Suchita","Convenient and efficient synthesis of novel 11H-benzo[5,6][1,4]thiazino[3,4-a]isoindol-11-ones derived from 2-bromo-(2/3-substitutedphenyl)-1H-indene-1,3(2H)-diones","RSC Advances","2019","9","23","12784","","10.1039/C9RA02403D","","","0.71073","MoKα","","0.0667","0.047","","","0.1305","0.1469","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232669","5.3125","0.0002","7.9672","0.0003","16.2923","0.0007","90","","96.61","0.002","90","","685","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0573","0.0544","","","0.1438","0.1467","","","","","","1.157","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232670","4.9905","0.0003","7.7332","0.0004","28.23","0.0014","90","","90","","90","","1089.47","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0798","0.0787","","","0.206","0.2083","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232671","9.6371","0.0004","11.5399","0.0005","11.7536","0.0005","90","","90","","90","","1307.13","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.097","0.0852","","","0.2299","0.2512","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232672","3.8904","0.0003","17.2043","0.0011","18.0371","0.0012","90","","90","","90","","1207.25","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.67 H1.11 O0.56 -","- C1.66667 H1.33333 O0.555556 -","- C60 H48 O20 -","36","9","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0508","0.0402","","","0.0987","0.1053","","","","","","1.061","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232695","10.119","0.002","12.697","0.003","14.644","0.003","93.56","0.03","108.43","0.03","108.3","0.03","1667.3","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H38 O6 -","- C40 H38 O6 -","- C80 H76 O12 -","2","1","","Yu, Binhong; Liu, Danyang; Zhang, Jinyan; Li, Zhize; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Emissions and the application of a series of twisted fluorophores with intramolecular weak hydrogen bonds","RSC Advances","2019","9","23","13214","","10.1039/C9RA01244C","","","0.71073","MoKα","","0.0796","0.0499","","","0.1245","0.1375","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232696","10.354","0.002","12.225","0.002","13.653","0.003","90","","111.99","0.03","90","","1602.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 O2 -","- C40 H40 N2 O2 -","- C80 H80 N4 O4 -","2","0.5","","Yu, Binhong; Liu, Danyang; Zhang, Jinyan; Li, Zhize; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Emissions and the application of a series of twisted fluorophores with intramolecular weak hydrogen bonds","RSC Advances","2019","9","23","13214","","10.1039/C9RA01244C","","","0.71073","MoKα","","0.1531","0.064","","","0.1317","0.1697","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232697","32.117","0.004","6.5151","0.0008","25.559","0.003","90","","113.333","0.003","90","","4910.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cl2 Co4 N24 O9 -","- C40 H44 Cl2 Co4 N24 O9 -","- C160 H176 Cl8 Co16 N96 O36 -","4","0.5","","Yang, Lili; Zhou, Jian; Zou, Hua-Hong; Tang, Qiuling","Three new metal coordination polymers of bifunctional imidazolate/tetrazolate bridges: the only example of a three-dimensional framework based on rare [Co4(μ3-OH)2(μ2-Cl)2]4+ mixed oxo-chloro-clusters","RSC Advances","2019","9","23","13082","","10.1039/C9RA01327J","","","0.71073","MoKα","","0.0622","0.0471","","","0.126","0.1387","","","","","","1.057","","","","has coordinates","214881","2020-10-21","18:00:00",""
"7232698","7.476","0.0008","7.9402","0.0007","9.3241","0.001","102.237","0.003","98.119","0.004","106.7","0.003","505.87","0.09","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N12 Ni O2 -","- C20 H18 N12 Ni O2 -","- C20 H18 N12 Ni O2 -","1","0.5","","Yang, Lili; Zhou, Jian; Zou, Hua-Hong; Tang, Qiuling","Three new metal coordination polymers of bifunctional imidazolate/tetrazolate bridges: the only example of a three-dimensional framework based on rare [Co4(μ3-OH)2(μ2-Cl)2]4+ mixed oxo-chloro-clusters","RSC Advances","2019","9","23","13082","","10.1039/C9RA01327J","","","0.71073","MoKα","","0.0892","0.0581","","","0.133","0.1468","","","","","","1.076","","","","has coordinates","214881","2020-10-21","18:00:00",""
"7232699","9.3788","0.0006","12.917","0.0007","31.877","0.002","90","","95.654","0.002","90","","3843","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Co N12 -","- C20 H14 Co N12 -","- C160 H112 Co8 N96 -","8","1","","Yang, Lili; Zhou, Jian; Zou, Hua-Hong; Tang, Qiuling","Three new metal coordination polymers of bifunctional imidazolate/tetrazolate bridges: the only example of a three-dimensional framework based on rare [Co4(μ3-OH)2(μ2-Cl)2]4+ mixed oxo-chloro-clusters","RSC Advances","2019","9","23","13082","","10.1039/C9RA01327J","","","0.71073","MoKα","","0.036","0.0317","","","0.0758","0.0779","","","","","","1.06","","","","has coordinates","214881","2020-10-21","18:00:00",""
"7232707","13.5174","0.0011","13.5216","0.0011","29.869","0.002","81.6102","0.0015","82.6279","0.0016","89.5941","0.0017","5355.9","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C32 H16 Ce4 Cl Cr4 Cs2 O83.5 Si W12 -","- C32 H16 Ce4 Cl Cr4 Cs2 O83.5 Si W12 -","- C64 H32 Ce8 Cl2 Cr8 Cs4 O167 Si2 W24 -","2","1","","Gu, Ya-Nan; Zhao, Dan; Yu, Hao; Ge, Rui; Li, Zhong; Tian, Chong-Bian; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Incorporating polyoxometalates and organic ligands to pursue 3d‒4f heterometallic clusters: a series of {Cr4Ln4} clusters stabilized by phthalic acid and [SiW12O40]4−","RSC Advances","2019","9","24","13543","","10.1039/C9RA01731C","","","0.71073","MoKα","","0.0751","0.0658","","","0.1818","0.1897","","","","","","1.091","","","","has coordinates","214896","2020-10-21","18:00:00",""
"7232708","12.4544","0.0009","13.4312","0.0009","31.842","0.002","80.2079","0.0013","80.4562","0.0012","73.7358","0.0012","4999.3","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H16 Cl2 Cr4 O83 Si Tb4 W12 -","- C32 H16 Cl2 Cr4 O83 Si Tb4 W12 -","- C64 H32 Cl4 Cr8 O166 Si2 Tb8 W24 -","2","1","","Gu, Ya-Nan; Zhao, Dan; Yu, Hao; Ge, Rui; Li, Zhong; Tian, Chong-Bian; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Incorporating polyoxometalates and organic ligands to pursue 3d‒4f heterometallic clusters: a series of {Cr4Ln4} clusters stabilized by phthalic acid and [SiW12O40]4−","RSC Advances","2019","9","24","13543","","10.1039/C9RA01731C","","","0.71073","MoKα","","0.0676","0.0574","","","0.1463","0.1527","","","","","","1.066","","","","has coordinates","214896","2020-10-21","18:00:00",""
"7232709","10.5738","0.001","12.4356","0.0012","18.8853","0.0017","71.646","0.003","75.679","0.003","70.826","0.003","2197.3","0.4","130","","130","","","","","","","","Isaak Nohara","9","P -1","-P 1","2","","","","- C47 H39 Cl2 Cu F6 N O P3 S -","- C47 H39 Cl2 Cu F6 N O P3 S -","- C94 H78 Cl4 Cu2 F12 N2 O2 P6 S2 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","x-ray","1.54178","CuKα","","0.039","0.0383","","","0.0922","0.0927","","","","","","1.05","","","","has coordinates,has disorder","214907","2020-10-21","18:00:00",""
"7232710","11.535","0.0005","12.1924","0.0006","17.0548","0.0008","82.221","0.003","71.606","0.003","88.977","0.003","2254.3","0.19","130","","130","","","","","","","","Isaak Nohara","8","P -1","-P 1","2","","","","- C50 H43 Cu F6 N O P3 S -","- C50 H43 Cu F6 N O P3 S -","- C100 H86 Cu2 F12 N2 O2 P6 S2 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.54178","CuKα","","0.0842","0.0603","","","0.1525","0.1695","","","","","","1.025","","","","has coordinates","214907","2020-10-21","18:00:00",""
"7232711","9.7193","0.001","14.8522","0.0017","17.864","0.002","110.08","0.005","99.38","0.005","102.758","0.005","2280.5","0.5","130","","130","","","","","","","","Isaak Nohara","7","P -1","-P 1","2","","","","- C45 H43 Cu F6 N2 O1.5 P3 -","- C45 H43 Cu F6 N2 O1.5 P3 -","- C90 H86 Cu2 F12 N4 O3 P6 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","x-ray","1.54178","CuKα","","0.0839","0.0789","","","0.2135","0.2179","","","","","","1.114","","","","has coordinates,has disorder","214907","2020-10-21","18:00:00",""
"7232712","19.112","0.0014","20.3777","0.0015","22.2356","0.0016","90","","90","","90","","8659.8","1.1","130","2","130","","","","","","","","Isaak Nohara","8","P b c a","-P 2ac 2ab","61","","","","- C49 H41 Cu F6 N O P3 S -","- C49 H41 Cu F6 N O P3 S -","- C392 H328 Cu8 F48 N8 O8 P24 S8 -","8","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.54178","CuKα","","0.0382","0.0338","","0.0903","0.0868","0.0903","","","","","","0.9988","","","","has coordinates","214907","2020-10-21","18:00:00",""
"7232713","10.8352","0.0014","12.0146","0.0015","16.754","0.002","92.081","0.003","98.546","0.003","107.937","0.003","2044.2","0.4","123","","123","","","","","","","","Isaak Nohara","8","P -1","-P 1","2","","","","- C45 H35 Cu F6 N O P3 S -","- C45 H35 Cu F6 N O P3 S -","- C90 H70 Cu2 F12 N2 O2 P6 S2 -","2","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.54178","CuKα","","0.0389","0.0388","","0.0933","0.0933","0.0933","","","","","","0.9868","","","","has coordinates","214907","2020-10-21","18:00:00",""
"7232714","10.5055","0.0013","21.487","0.003","19.094","0.002","90","","95.118","0.004","90","","4292.9","0.9","123","","123","","","","","","","","Isaak Nohara","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H39 Cu F6 N O P3 S -","- C48 H39 Cu F6 N O P3 S -","- C192 H156 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.5418","CuKα","","0.0505","0.0504","","0.0877","0.0877","0.0877","","","","","","0.9592","","","","has coordinates,has disorder","214907","2020-10-21","18:00:00",""
"7232715","12.3663","0.0005","19.9827","0.0007","22.6075","0.0016","90","","90","","90","","5586.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H60 Br6 Cl2 O10 -","- C53 H60 Br6 Cl2 O10 -","- C212 H240 Br24 Cl8 O40 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.124","0.0724","","","0.1795","0.2053","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232716","11.7192","0.0007","11.9722","0.0006","22.1105","0.0016","94.87","0.007","102.695","0.007","97.465","0.007","2980","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H62 Br6 N2 O10 -","- C55 H62 Br6 N2 O10 -","- C110 H124 Br12 N4 O20 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.1599","0.09","","","0.2517","0.3121","","","","","","1.16","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232717","11.639","0.01","40.03","0.03","11.802","0.01","90","","92.258","0.012","90","","5494","8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Br4 Cl4 O10 -","- C53 H62 Br4 Cl4 O10 -","- C212 H248 Br16 Cl16 O40 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.3","0.1601","","","0.3871","0.4443","","","","","","1.068","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232718","12.3273","0.0007","12.4719","0.0008","19.4537","0.0014","91.125","0.006","94.226","0.007","112.641","0.008","2749.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H65 Br4 Cl2 O10 -","- C54 H65 Br4 Cl2 O10 -","- C108 H130 Br8 Cl4 O20 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.1036","0.0764","","","0.2379","0.2782","","","","","","1.096","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232719","31.6601","0.0008","5.708","0.0002","15.2031","0.0004","90","","112.639","0.002","90","","2535.75","0.13","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Xia, Xuexiu; Lu, Chengrong; Zhao, Bei; Yao, Yingming","Lanthanide complexes combined with chiral salen ligands: application in the enantioselective epoxidation reaction of α,β-unsaturated ketones","RSC Advances","2019","9","24","13749","","10.1039/C9RA01529A","","","1.54178","CuKα","","0.0517","0.0483","","","0.1371","0.1418","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232720","8.4296","0.0007","8.4438","0.0007","13.7685","0.0012","94.288","0.007","107.426","0.008","107.058","0.007","879.58","0.14","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H13 Br Cl2 N2 O2 Pt S -","- C14 H13 Br Cl2 N2 O2 Pt S -","- C28 H26 Br2 Cl4 N4 O4 Pt2 S2 -","2","1","","Nicasio-Collazo, Juan; Ramírez-García, Gonzalo; Flores-Álamo, Marcos; Gutiérrez-Granados, Silvia; Peralta-Hernández, Juan M.; Maldonado, José Luis; Jimenez-Halla, J. Oscar C.; Serrano, Oracio","A novel coordination mode of κ1-N-Br-pyridylbenz-(imida, oxa or othia)-zole to Pt(ii): synthesis, characterization, electrochemical and structural analysis","RSC Advances","2019","9","25","14033","","10.1039/C9RA01856E","","","0.71073","MoKα","","0.0376","0.03","","","0.0529","0.057","","","","","","1.055","","","","has coordinates","214992","2020-10-21","18:00:00",""
"7232727","4.799","0.0017","16.672","0.006","12.4","0.004","90","","89.94","0.002","90","","992.1","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N6 O2 -","- C19 H22 N6 O2 -","- C38 H44 N12 O4 -","2","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D–A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.1276","0.0876","","","0.2112","0.2319","","","","","","1.023","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232728","17.578","0.011","8.18","0.005","10.632","0.007","90","","90","","90","","1528.8","1.7","296","2","296.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13.5 H11 N4 O3 Zn -","- C13.5 H11 N4 O3 Zn -","- C54 H44 N16 O12 Zn4 -","4","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.0641","0.0476","","","0.1216","0.1282","","","","","","1.019","","","","has coordinates,has disorder","215004","2020-10-21","18:00:00",""
"7232729","12.456","0.002","13.244","0.002","19.423","0.003","90.368","0.005","96.639","0.005","101.761","0.005","3114.4","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H68 N16 O8 Zn3 -","- C57 H68 N16 O8 Zn3 -","- C114 H136 N32 O16 Zn6 -","2","1","","Wang, Ke; Su, Hao; Wang, Pengfei; Wang, Wenjie; Li, Hui","The enhancement of the D‒A effect of an asymmetric Schiff base by introducing acetyl groups into diaminomaleonitrile: synthesis, red fluorescence and crystal structure","RSC Advances","2019","9","25","14268","","10.1039/C9RA00977A","","","0.71073","MoKα","","0.1054","0.0571","","","0.1427","0.1662","","","","","","1.02","","","","has coordinates,has disorder","215004","2020-10-21","18:00:00",""
"7232767","10.3645","0.0003","10.3645","0.0003","10.3645","0.0003","90","","90","","90","","1113.38","0.06","302","2","302","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium strontium gallium silicon","","- Ga7.6 Na5.04 Si38.4 Sr2.96 -","- Ga7.6004 Na5.044 Si38.3996 Sr2.956 -","- Ga7.6004 Na5.044 Si38.3996 Sr2.956 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori","Single crystal growth and structure analysis of type-I (Na/Sr)‒(Ga/Si) quaternary clathrates","RSC Advances","2019","9","26","14586","","10.1039/C9RA01489F","","","0.71073","MoKα","","0.0124","0.0113","","","0.0255","0.0259","","","","","","1.225","","","","has coordinates","215028","2020-10-21","18:00:00",""
"7232768","10.3804","0.0004","10.3804","0.0004","10.3804","0.0004","90","","90","","90","","1118.52","0.07","302","2","302","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium strontium gallium silicon","","- Ga9.1 Na3.92 Si36.9 Sr4.08 -","- Ga9.0976 Na3.922 Si36.9024 Sr4.078 -","- Ga9.0976 Na3.922 Si36.9024 Sr4.078 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori","Single crystal growth and structure analysis of type-I (Na/Sr)‒(Ga/Si) quaternary clathrates","RSC Advances","2019","9","26","14586","","10.1039/C9RA01489F","","","0.71073","MoKα","","0.0147","0.0134","","","0.0311","0.0314","","","","","","1.146","","","","has coordinates","215028","2020-10-21","18:00:00",""
"7232769","10.3747","0.0003","10.3747","0.0003","10.3747","0.0003","90","","90","","90","","1116.67","0.06","302","2","302","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium strontium gallium silicon","","- Ga8.4 Na4.2 Si37.6 Sr3.8 -","- Ga8.3984 Na4.2 Si37.6016 Sr3.8 -","- Ga8.3984 Na4.2 Si37.6016 Sr3.8 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori","Single crystal growth and structure analysis of type-I (Na/Sr)‒(Ga/Si) quaternary clathrates","RSC Advances","2019","9","26","14586","","10.1039/C9RA01489F","","","0.71073","MoKα","","0.0125","0.0113","","","0.0283","0.0287","","","","","","1.191","","","","has coordinates","215028","2020-10-21","18:00:00",""
"7232782","7.402","0.002","22.549","0.007","9.801","0.003","90","","101.137","0.005","90","","1605.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium–selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.0789","0.0453","","","0.0931","0.1049","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232783","22.1033","0.0004","22.4179","0.0003","17.5597","0.0003","90","","125.335","0.002","90","","7098.1","0.3","150.01","0.1","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H51 N6 O23 Zn4 -","- C60 H37 N6 O16 Zn4 -","- C240 H148 N24 O64 Zn16 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","1.54178","CuKα","","0.0522","0.0477","","","0.1272","0.1312","","","","","","1.034","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232784","8.688","0.003","14.484","0.005","13.227","0.004","90","","99.333","0.006","90","","1642.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium–selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.1033","0.049","","","0.1002","0.1197","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232785","15.074","0.0009","16.3655","0.0008","10.016","0.0004","90","","94.591","0.004","90","","2463","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O6 Zn -","- C20 H14 N2 O6 Zn -","- C80 H56 N8 O24 Zn4 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","1.54178","CuKα","","0.097","0.074","","","0.1845","0.1967","","","","","","1.016","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232786","10.025","0.003","21.289","0.006","10.318","0.003","90","","104.201","0.005","90","","2134.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cd N3 O6 -","- C23 H19 Cd N3 O6 -","- C92 H76 Cd4 N12 O24 -","4","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.075","0.045","","","0.0984","0.1134","","","","","","1.028","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232787","31.546","0.004","34.778","0.005","17.965","0.002","90","","119.169","0.002","90","","17210","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H86 Cd4 N8 O39 -","- C80 H48 Cd4 N8 O39 -","- C640 H384 Cd32 N64 O312 -","8","1","","Cheng, Qiuxia; Qin, Luzhu; Ke, Chunxian; Zhou, Jianen; Lin, Jia; Lin, Xiaoming; Zhang, Gang; Cai, Yuepeng","Four new Zn(ii) and Cd(ii) coordination polymers using two amide-like aromatic multi-carboxylate ligands: synthesis, structures and lithium‒selenium batteries application","RSC Advances","2019","9","26","14750","","10.1039/C9RA02163A","","","0.71073","MoKα","","0.1582","0.0713","","","0.1599","0.2039","","","","","","1.01","","","","has coordinates","215167","2020-10-21","18:00:00",""
"7232794","31.299","0.003","11.9822","0.0009","19.7406","0.0016","90","","122.827","0.0013","90","","6221.1","0.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cu N3 O6 -","- C27 H21 Cu N3 O6 -","- C216 H168 Cu8 N24 O48 -","8","1","","Cai, Shao-Lan; Yang, Zi-Chuan; Wu, Ke-Yang; Fan, Cheng; Zhai, Ling-Yan; Huang, Nai-Han; Li, Rong-Tian; Duan, Wen-Jun; Chen, Jin-Xiang","Experimental and computational investigation of a DNA-shielded 3D metal‒organic framework for the prompt dual sensing of Ag+ and S2−","RSC Advances","2019","9","27","15424","","10.1039/C9RA02028D","","","0.71073","MoKα","","0.0428","0.0376","","","0.1169","0.1209","","","","","","1.118","","","","has coordinates","215239","2020-10-21","18:00:00",""
"7232795","10.5641","0.0006","12.9718","0.0007","15.3593","0.0008","77.698","0.004","82.402","0.004","79.796","0.004","2014.12","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Ag N3 O3 P2 S -","- C42.173 H40 Ag N3 O3 P2 S -","- C84.346 H80 Ag2 N6 O6 P4 S2 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","1.54184","CuKα","","0.0668","0.0548","","","0.1389","0.1469","","","","","","1.083","","","","has coordinates,has disorder","215241","2020-10-21","18:00:00",""
"7232796","10.124","0.0004","13.4635","0.0006","14.1829","0.0006","77.466","0.004","78.784","0.004","78.993","0.004","1828.61","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H37 Ag N2 O P2 S -","- C41 H37 Ag N2 O P2 S -","- C82 H74 Ag2 N4 O2 P4 S2 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","0.71073","MoKα","","0.0575","0.0393","","","0.1125","0.1339","","","","","","0.87","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232797","25.2895","0.0007","13.2208","0.0002","23.5888","0.0007","90","","125.671","0.004","90","","6407.1","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H56 Ag2 N10 O8 P4 S2 -","- C60 H56 Ag2 N10 O8 P4 S2 -","- C240 H224 Ag8 N40 O32 P16 S8 -","4","0.5","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","","1.54184","CuKα","","0.0467","0.0383","","","0.104","0.1101","","","","","","1.054","","","","has coordinates,has disorder","215241","2020-10-21","18:00:00",""
"7232798","9.221","0.0003","25.4962","0.0008","17.0609","0.0005","90","","100.83","0.003","90","","3939.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Ag N5 O3 P2 S -","- C41 H34 Ag N5 O3 P2 S -","- C164 H136 Ag4 N20 O12 P8 S4 -","4","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","","1.54184","CuKα","","0.0608","0.0464","","","0.1153","0.1253","","","","","","1.026","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232799","12.5062","0.0007","13.1744","0.0007","15.128","0.0007","99.534","0.004","103.826","0.005","114.897","0.005","2092.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Ag N3 O5 P2 S -","- C40 H36 Ag N3 O5 P2 S -","- C80 H72 Ag2 N6 O10 P4 S2 -","2","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","1.54184","CuKα","","0.0519","0.0449","","","0.1161","0.1226","","","","","","1.028","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232800","13.6628","0.0004","16.2436","0.0005","18.841","0.0006","90","","105.902","0.003","90","","4021.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 Ag N3 O3 P2 S -","- C43 H44 Ag N3 O3 P2 S -","- C172 H176 Ag4 N12 O12 P8 S4 -","4","1","","Aulakh, Jaspreet K.; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Kaur, Raminderjit; Singh, Jatinder; Garcia-Santos, Isabel; Kaur, Manpreet; Jasinski, Jerry P.","Silver derivatives of multi-donor heterocyclic thioamides as antimicrobial/anticancer agents: unusual bio-activity against methicillin resistant S. aureus, S. epidermidis, and E. faecalis and human bone cancer MG63 cell line","RSC Advances","2019","9","27","15470","","10.1039/C9RA01804B","","x-ray","0.71073","MoKα","","0.0702","0.0449","","","0.0962","0.1121","","","","","","1.085","","","","has coordinates","215241","2020-10-21","18:00:00",""
"7232801","5.2919","0.0011","28.317","0.006","8.7074","0.0019","90","","103.268","0.004","90","","1270","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","2","","Chen, Ziyi; Yin, Xuguang; Dong, Xiu-Qin; Zhang, Xumu","Efficient access to chiral dihydrobenzoxazinones via Rh-catalyzed hydrogenation","RSC Advances","2019","9","27","15466","","10.1039/C9RA02694K","","","0.71073","MoKα","","0.0834","0.0444","","","0.0835","0.0992","","","","","","1.019","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232806","17.6331","0.0003","11.84939","0.00019","12.12535","0.00019","90","","107.477","0.0017","90","","2416.54","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N3 S6 Sb -","- C18 H30 N3 S6 Sb -","- C72 H120 N12 S24 Sb4 -","4","1","","Kun, Walter N.; McNaughter, Paul D.; Nyamen, Linda D.; Spencer, Ben F.; O'Brien, Paul; Ndifon, Peter T.; Revaprasadu, Neerish","Synthesis of (Bi1−xSbx)2S3 solid solutions via thermal decomposition of bismuth and antimony piperidinedithiocarbamates","RSC Advances","2019","9","28","15836","","10.1039/C9RA01127G","","x-ray","1.54184","CuKα","","0.0179","0.0172","","","0.0422","0.0426","","","","","","1.056","","","","has coordinates","215390","2020-10-21","18:00:00",""
"7232813","14.6764","0.0007","8.3407","0.0004","16.8021","0.0008","90","","101.397","0.002","90","","2016.21","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N6 O11 S2 Zn2 -","- C12 H20 N6 O11 S2 Zn2 -","- C48 H80 N24 O44 S8 Zn8 -","4","0.5","","Ma, Yike; Huang, Liangliang; Xiu, Zhijia; Yang, Yuheng; Wang, Xiaodong; Yin, Yanzhen; Bi, Yanfeng; Zheng, Zhiping","High proton conductivity behavior in a 2D metal sulfite constructed from a histidine ligand","RSC Advances","2019","9","28","16130","","10.1039/C9RA01584A","","","0.71073","MoKα","","0.035","0.0258","","","0.0574","0.0608","","","","","","1.053","","","","has coordinates","215438","2020-10-21","18:00:00",""
"7232820","7.7324","0.0004","11.8306","0.0006","27.4051","0.0013","90","","94.226","0.002","90","","2500.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 B N2 O4 -","- C27 H33 B N2 O4 -","- C108 H132 B4 N8 O16 -","4","1","","El-Ali, H. A. Abdulhadi; Jing, Jing; Zhang, Xiaoling","Solid-state emissive O-BODIPY dyes with bimodal emissions across red and near infrared region","RSC Advances","2019","9","28","16246","","10.1039/C8RA10296A","","","0.71073","MoKα","","0.0998","0.0713","","","0.2144","0.2424","","","","","","1.028","","","","has coordinates,has disorder","215466","2020-10-21","18:00:00",""
"7232821","12.5136","0.0006","7.6846","0.0003","23.2996","0.0012","90","","96.257","0.002","90","","2227.19","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B N2 O3 -","- C25 H29 B N2 O3 -","- C100 H116 B4 N8 O12 -","4","1","","El-Ali, H. A. Abdulhadi; Jing, Jing; Zhang, Xiaoling","Solid-state emissive O-BODIPY dyes with bimodal emissions across red and near infrared region","RSC Advances","2019","9","28","16246","","10.1039/C8RA10296A","","","0.71073","MoKα","","0.0994","0.0722","","","0.1934","0.2225","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232822","24.7046","0.0012","14.523","0.0009","22.3879","0.0012","90","","90","","90","","8032.4","0.8","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C120 H96 N4 O32 Zn6 -","- C120 H96 N4 O32 Zn6 -","- C240 H192 N8 O64 Zn12 -","2","0.5","","Xu, W.; Yu, S. S.; Zhang, H.; Duan, H. B.","A three-dimensional metal‒organic framework for a guest-free ultra-low dielectric material","RSC Advances","2019","9","28","16183","","10.1039/C9RA03032H","","x-ray","0.71073","MoKα","","0.1014","0.0884","","","0.2323","0.2429","","","","","","1.054","","","","has coordinates","215467","2020-10-21","18:00:00",""
"7232824","32.044","0.001","9.8805","0.0003","21.1886","0.0007","90","","92.986","0.001","90","","6699.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 Cu4 N6 O22 -","- C68 H58 Cu4 N6 O22 -","- C272 H232 Cu16 N24 O88 -","4","0.5","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Das, Amal; Verma, Akalesh K.; Frontera, Antonio","Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies","RSC Advances","2019","9","29","16339","","10.1039/C9RA01181A","","","0.71073","MoKα","","0.0678","0.0454","","","0.1266","0.1423","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232825","10.4496","0.0003","21.2448","0.0007","11.214","0.0004","90","","117.886","0.002","90","","2200.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu N2 O5 -","- C26 H20 Cu N2 O5 -","- C104 H80 Cu4 N8 O20 -","4","1","","Bhattacharyya, Manjit K.; Saha, Utpal; Dutta, Debajit; Das, Amal; Verma, Akalesh K.; Frontera, Antonio","Solvent-driven structural topology involving energetically significant intra- and intermolecular chelate ring contacts and anticancer activities of Cu(ii) phenanthroline complexes involving benzoates: experimental and theoretical studies","RSC Advances","2019","9","29","16339","","10.1039/C9RA01181A","","","0.71073","MoKα","","0.0433","0.0356","","","0.0927","0.0969","","","","","","1.129","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232826","9.5272","0.0004","10.6671","0.0005","11.645","0.0005","100.807","0.001","98.542","0.001","115.054","0.001","1017.95","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Cu2 N3 O8 -","- C19 H14 Cu2 N3 O8 -","- C38 H28 Cu4 N6 O16 -","2","1","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","0.71073","MoKα","","0.0473","0.0355","","","0.0901","0.0966","","","","","","1.032","","","","has coordinates,has disorder","215522","2020-10-21","18:00:00",""
"7232827","8.034","0.002","9.981","0.002","18.072","0.004","87.73","0.008","83.662","0.008","76.257","0.008","1398.9","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 N6 Ni3 O18 -","- C60 H46 N6 Ni3 O18 -","- C60 H46 N6 Ni3 O18 -","1","0.5","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","","","","0.127","","","","","","","","","","","","","","","has coordinates","215522","2020-10-21","18:00:00",""
"7232828","11.1024","0.0008","11.5542","0.0009","12.452","0.0009","72.963","0.002","72.622","0.002","67.195","0.002","1376.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 Ni2 O11 -","- C27 H22 N2 Ni2 O11 -","- C54 H44 N4 Ni4 O22 -","2","1","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","0.71073","MoKα","","0.0388","0.0355","","","0.0955","0.1016","","","","","","1.047","","","","has coordinates","215522","2020-10-21","18:00:00",""
"7232829","10.0683","0.0008","10.8967","0.0009","11.0913","0.0009","89.393","0.003","85.366","0.002","64.932","0.002","1098.24","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cu3 N4 O14 -","- C50 H30 Cu3 N4 O14 -","- C50 H30 Cu3 N4 O14 -","1","0.5","","Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia","Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties","RSC Advances","2019","9","29","16305","","10.1039/C9RA01496A","","","0.71073","MoKα","","0.0578","0.0403","","","0.0919","0.1","","","","","","1.022","","","","has coordinates","215522","2020-10-21","18:00:00",""
"7232830","13.9796","0.0003","14.177","0.0004","15.0473","0.0004","63.634","0.002","81.097","0.002","65.518","0.002","2430.18","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 F12 N4 O16 Pr2 -","- C48 H24 F12 N4 O16 Pr2 -","- C96 H48 F24 N8 O32 Pr4 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","","0.71073","MoKα","","0.0359","0.03","","","0.0709","0.0751","","","","","","1.003","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232831","14.9184","0.0005","15.1786","0.0005","17.7883","0.0006","93.934","0.003","106.565","0.003","106.133","0.003","3660.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H31 Er3 F20 N6 O21 -","- C75 H31 Er3 F20 N6 O21 -","- C150 H62 Er6 F40 N12 O42 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.0589","0.0481","","","0.1123","0.1196","","","","","","1.061","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232832","13.9964","0.0005","14.2024","0.0006","15.0892","0.0005","63.613","0.004","81.067","0.003","65.615","0.004","2445.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H24 F12 Ho2 N4 O16 -","- C48 H24 F12 Ho2 N4 O16 -","- C96 H48 F24 Ho4 N8 O32 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","","0.71073","MoKα","","0.039","0.0333","","","0.0909","0.0952","","","","","","1.02","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232833","14.8821","0.0004","15.1295","0.0004","17.7317","0.0005","94.076","0.002","106.643","0.002","106.28","0.002","3621.74","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H31 F20 N6 O21 Yb3 -","- C75 H31 F20 N6 O21 Yb3 -","- C150 H62 F40 N12 O42 Yb6 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.0405","0.0332","","","0.0734","0.0772","","","","","","1.03","","","","has coordinates,has disorder","215523","2020-10-21","18:00:00",""
"7232834","11.306","0.0003","12.848","0.0003","13.3042","0.0003","101.991","0.002","97.461","0.002","105.574","0.002","1785.3","0.08","286.13","0.1","286.13","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H19 F8 N4 Nd O9 -","- C40 H19 F8 N4 Nd O9 -","- C80 H38 F16 N8 Nd2 O18 -","2","1","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.0279","0.0256","","","0.0561","0.0572","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232835","14.9346","0.0006","15.1836","0.0006","17.8339","0.0007","93.954","0.003","106.671","0.003","106.149","0.004","3672.2","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9.5 Dy0.375 F2 N0.75 O2.75 -","- C9.5 Dy0.375 F2 N0.75 O2.75 -","- C152 Dy6 F32 N12 O44 -","16","8","","Feng, Xun; Shang, Yapei; Zhang, Heng; Li, Rongfang; Wang, Weizhou; Zhang, Daoming; Wang, Liya; Li, Zhongjun","Enhanced luminescence and tunable magnetic properties of lanthanide coordination polymers based on fluorine substitution and phenanthroline ligand","RSC Advances","2019","9","29","16328","","10.1039/C9RA01574D","","x-ray","0.71073","MoKα","","0.088","0.0599","","","0.1489","0.1738","","","","","","0.9897","","","","has coordinates","215523","2020-10-21","18:00:00",""
"7232839","8.5571","0.0003","11.9579","0.0005","15.1881","0.0005","111.799","0.003","92.248","0.003","99.262","0.003","1415.84","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Mo2 N5 O9 -","- C27 H23 Mo2 N5 O9 -","- C54 H46 Mo4 N10 O18 -","2","1","","Li, Minyuan M.; Claire, F. James; Solomos, Marina A.; Tenney, Stephanie M.; Ivanov, Sergei A.; Siegler, Maxime A.; Kempa, Thomas J.","Molecular chains of coordinated dimolybdenum isonicotinate paddlewheel clusters","RSC Advances","2019","9","29","16492","","10.1039/C9RA03572A","","","0.71073","MoKα","","0.0508","0.0328","","","0.0564","0.062","","","","","","1.059","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232853","4.755","0.015","6.057","0.019","27.46","0.09","86.36","0.09","89.245","0.01","84","0.06","785","4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","- C38 H38 N2 O4 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.1026","0.0616","","","0.1529","0.212","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232854","4.638","0.003","9.316","0.005","24.909","0.014","91.765","0.012","91.622","0.012","92.166","0.015","1074.5","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H66 N2 O4 -","- C52 H66 N2 O4 -","- C52 H66 N2 O4 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.0806","0.0491","","","0.1172","0.1352","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232855","4.483","0.003","16.529","0.001","21.775","0.013","85.587","0.01","88.775","0.017","87.293","0.012","1606.7","1.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H84 N4 O9 -","- C80 H84 N4 O9 -","- C80 H84 N4 O9 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.0648","0.045","","","0.0976","0.1036","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232856","7.451","0.005","8.965","0.005","14.802","0.012","78.46","0.05","84.78","0.05","63.33","0.04","865.7","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O4 -","- C42 H46 N2 O4 -","- C42 H46 N2 O4 -","1","0.5","","Tajima, Tomoyuki; Sanda, Rai; Nishihara, Katsuya; Shirai, Hitoshi; Okuda, Yasuhiro; Orita, Akihiro; Takaguchi, Yutaka","Disproportionation-induced solid-state fluorescence in 6,13-dihydropentacenes","RSC Advances","2019","9","30","17035","","10.1039/C9RA03297E","","","0.71075","MoKα","","0.0724","0.0476","","","0.1124","0.1264","","","","","","1.059","","","","has coordinates,has disorder","301866","2025-08-22","21:38:25",""
"7232861","12.9877","0.0007","16.1253","0.0009","7.4653","0.0004","90","","102.663","0.0019","90","","1525.43","0.14","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Isopropyl-12-methyl-6H-isochromeno[4,3-c]quinoline-6,11(12H)-dione","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Shrestha, Rajeev; Khanal, Hari Datta; Lee, Yong Rok","One-pot construction of diverse and functionalized isochromenoquinolinediones by Rh(iii)-catalyzed annulation of unprotected arylamides with 3-diazoquinolinediones and their application for fluorescence sensor","RSC Advances","2019","9","30","17347","","10.1039/C9RA03146D","","","0.71073","MoKα","","0.0987","0.0546","","","0.1166","0.1386","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232862","9.1056","0.0006","11.706","0.0008","14.8314","0.0008","78.547","0.005","77.009","0.005","73.528","0.006","1461.74","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C72 H56 O24 -","4","2","","Song, Xianheng; Luo, Xiang; Sheng, Jianfei; Li, Jianheng; Zhu, Zefeng; Du, Zhibo; Miao, Hui; Yan, Meng; Li, Mingkang; Zou, Yong","Copper-catalyzed intramolecular cross dehydrogenative coupling approach to coumestans from 2′-hydroxyl-3-arylcoumarins","RSC Advances","2019","9","30","17391","","10.1039/C9RA01909J","","x-ray","1.54184","CuKα","","0.0764","0.0641","","","0.1851","0.2124","","","","","","1.0177","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232863","13.039","0.005","18.606","0.007","10.943","0.006","90","","121.201","0.006","90","","2270.8","1.7","170.15","","170.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H16 N6 Ni O5 S -","- C24 H16 N6 Ni O5 S -","- C96 H64 N24 Ni4 O20 S4 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.0393","0.0353","","","0.0963","0.0999","","","","","","1.059","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232864","11.7121","0.0004","6.152","0.0002","16.1276","0.0004","90","","91.235","0.003","90","","1161.77","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H18 N6 Ni O5 -","- C26 H18 N6 Ni O5 -","- C52 H36 N12 Ni2 O10 -","2","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","x-ray","0.71073","MoKα","","0.0408","0.0361","","","0.0651","0.0687","","","","","","1.028","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232865","19.829","0.003","5.8486","0.001","20.75","0.003","90","","109.388","0.004","90","","2270","0.6","173.15","","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H16 Mn N6 O5 S -","- C24 H16 Mn N6 O5 S -","- C96 H64 Mn4 N24 O20 S4 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.035","0.032","","","0.0757","0.0775","","","","","","1.049","","","","has coordinates,has disorder","215708","2020-10-21","18:00:00",""
"7232866","9.3365","0.0007","11.9034","0.0011","11.9507","0.0011","66.724","0.009","68.005","0.008","77.863","0.007","1128.23","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Mn N7 O5 -","- C25 H17 Mn N7 O5 -","- C50 H34 Mn2 N14 O10 -","2","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","x-ray","0.71073","MoKα","","0.0474","0.0403","","","0.0924","0.0982","","","","","","1.042","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232867","11.035","0.003","9.024","0.002","24.497","0.006","90","","97.215","0.006","90","","2420.1","1","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Mn N6 O4 -","- C30 H18 Mn N6 O4 -","- C120 H72 Mn4 N24 O16 -","4","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","","0.71073","MoKα","","0.0822","0.0502","","","0.1","0.1143","","","","","","1.007","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232868","16.6905","0.0007","11.6251","0.0003","26.5469","0.0013","90","","110.743","0.005","90","","4817","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N6 Ni O5 -","- C26 H17 N6 Ni O5 -","- C208 H136 N48 Ni8 O40 -","8","1","","Dong, Jun-Liang; Zhu, Peng-Yin; Du, Jia-Qiang; Xie, Fei; Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zheng; Wang, Duo-Zhi","Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine","RSC Advances","2019","9","31","17560","","10.1039/C9RA03082D","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0792","0.0823","","","","","","1.079","","","","has coordinates","215708","2020-10-21","18:00:00",""
"7232874","10.0517","0.0008","11.1214","0.0009","15.3258","0.0014","90","","90","","90","","1713.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 1a","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","","Mancinelli, Michele; Franzini, Roberta; Renzetti, Andrea; Marotta, Emanuela; Villani, Claudio; Mazzanti, Andrea","Determination of the absolute configuration of conformationally flexible molecules by simulation of chiro-optical spectra: a case study","RSC Advances","2019","9","32","18165","","10.1039/C9RA03526E","","","0.71073","MoKα","","0.0364","0.0332","","","0.082","0.0839","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232875","9.902","0.0012","19.022","0.002","9.2904","0.0011","90","","90","","90","","1749.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 2b","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","","Mancinelli, Michele; Franzini, Roberta; Renzetti, Andrea; Marotta, Emanuela; Villani, Claudio; Mazzanti, Andrea","Determination of the absolute configuration of conformationally flexible molecules by simulation of chiro-optical spectra: a case study","RSC Advances","2019","9","32","18165","","10.1039/C9RA03526E","","","0.71073","MoKα","","0.0507","0.0431","","","0.1099","0.1145","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232886","22.6988","0.0009","13.1304","0.0004","21.1832","0.001","90","","110.171","0.005","90","","5926.3","0.4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Cu In P2 Se4 -","- C64 H58 Cu In P2 Se4 -","- C256 H232 Cu4 In4 P8 Se16 -","4","0.5","","Pal, Manoj K.; Dey, Sandip; Neogy, Suman; Kumar, Mukesh","Synthesis and structure of [(Ph3P)2Cu(μ-SeCH2Ph)2In(SeCH2Ph)2] as a single-source precursor for the preparation of CuInSe2 nano-materials","RSC Advances","2019","9","32","18302","","10.1039/C9RA03429C","","x-ray","1.54184","CuKα","","0.1175","0.0684","","","0.1727","0.2523","","","","","","1.121","","","","has coordinates","215863","2020-10-21","18:00:00",""
"7232887","29.44","0.04","8.383","0.012","11.176","0.017","90","","101.55","0.02","90","","2702","7","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.101","0.0547","","","0.114","0.1397","","","","","","1.041","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232888","29.39","0.02","8.39","0.006","11.172","0.009","90","","100.887","0.013","90","","2705","3","175","","175","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.1105","0.0619","","","0.1263","0.1549","","","","","","0.989","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232889","29.418","0.015","8.421","0.004","11.195","0.006","90","","100.912","0.007","90","","2723","2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.1076","0.0608","","","0.1353","0.1667","","","","","","0.975","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232890","29.348","0.003","8.4654","0.0003","11.2565","0.0004","90","","100.911","0.006","90","","2746","0.3","270","","270","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","1","synchrotron","","0.0615","0.0546","","","0.1419","0.1461","","","","","","0.974","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232891","29.35","0.02","8.45","0.006","11.225","0.009","90","","101.005","0.011","90","","2733","3","235","","235","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Kishimoto, Kouki; Isono, Takayuki; Yamada, Shota; Kamo, Hiromichi; Kobayashi, Kensuke; Kumai, Reiji; Murakami, Youichi; Gouchi, Jun; Uwatoko, Yoshiya; Nishio, Yutaka; Mori, Hatsumi","Pressure-induced hydrogen localization coupled to a semiconductor‒insulator transition in a hydrogen-bonded molecular conductor","RSC Advances","2019","9","32","18353","","10.1039/C9RA02833A","","","0.71073","MoKα","","0.1204","0.0705","","","0.1567","0.188","","","","","","1.034","","","","has coordinates,has disorder","215864","2020-10-21","18:00:00",""
"7232912","12.1916","0.0006","5.5082","0.0003","12.39","0.0006","90","","102.989","0.007","90","","810.75","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C36 H32 Cl2 N6 O2 -","2","1","","Liu, Shiyao; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Copper-catalysed enantioselective intramolecular etherification of propargylic esters: synthetic approach to chiral isochromans","RSC Advances","2019","9","33","18918","","10.1039/C9RA03880A","","","0.71075","MoKα","","0.0542","0.0485","","","0.0941","0.0965","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232913","13.0085","0.0017","10.9842","0.0014","12.9585","0.0017","90","","100.979","0.004","90","","1817.7","0.4","287.82","","287.82","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","","Niu, Zuoji; Ma, Chaoqun; Ye, Wenpeng; Wang, He; Jia, Wenyong; Shi, Huixian; Shi, Huifang; An, Zhongfu; Huang, Wei","Colour-tunable ultralong organic phosphorescence upon temperature stimulus","RSC Advances","2019","9","33","19075","","10.1039/C9RA03537K","","","0.71073","MoKα","","0.1233","0.0671","","","0.1384","0.1618","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232914","12.9566","0.0014","10.8698","0.0012","12.9109","0.0014","90","","101.36","0.003","90","","1782.7","0.3","99.99","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O3 -","- C20 H20 N4 O3 -","- C80 H80 N16 O12 -","4","1","","Niu, Zuoji; Ma, Chaoqun; Ye, Wenpeng; Wang, He; Jia, Wenyong; Shi, Huixian; Shi, Huifang; An, Zhongfu; Huang, Wei","Colour-tunable ultralong organic phosphorescence upon temperature stimulus","RSC Advances","2019","9","33","19075","","10.1039/C9RA03537K","","","0.71073","MoKα","","0.0836","0.0568","","","0.1356","0.1502","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232927","4.6228","0.0003","9.2043","0.0009","17.413","0.0013","90","","92.3164","0.0018","90","","740.31","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Histamine monocation","","- C10 H9 Cl N4 Na -","- C10 H20 Cl2 N6 -","- C20 H40 Cl4 N12 -","2","0.5","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.0579","","","","0.0751","","","","","","1.194","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7232928","5.698","0.003","7.632","0.004","7.25","0.004","90","","104.92","0.007","90","","304.7","0.3","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","Histamine Free base","","- C5 H13 N3 -","- C5 H9 N3 -","- C10 H18 N6 -","2","1","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.0412","","","","0.0591","","","","","","1.178","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7232929","4.449","0.006","12.694","0.016","7.577","0.009","90","","91.45","0.03","90","","427.8","0.9","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","Histamine dication form","","- C5 H13 Cl2 N3 O2 -","- C5 H11 Cl2 N3 -","- C10 H22 Cl4 N6 -","2","1","","Kodchakorn, Kanchanok; Nimmanpipug, Piyarat; Phongtamrug, Suttinun; Tashiro, Kohji","pH-induced conformational changes in histamine in the solid state","RSC Advances","2019","9","34","19375","","10.1039/C9RA03418H","","","0.71075","MoKα","","","0.085","","","","0.1397","","","","","","1.142","","","","has coordinates","216444","2020-10-21","18:00:00",""
"7232933","6.9632","","9.0671","","12.2695","","90","","90","","90","","774.648","","293","","293","","","","","","","","","4","C m c e","-C 2ac 2","64","vyacheslavite","","","- H O5 P U -","- H O5 P U -","- H8 O40 P8 U8 -","8","0.5","","Steciuk, Gwladys; Ghazisaeed, Seyedayat; Kiefer, Boris; Plášil, Jakub","Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations","RSC Advances","2019","9","34","19657","","10.1039/C9RA03694F","","electron","0.0335","electron","","0.2078","0.0953","","","0.0883","0.0945","","","","0","0","2.01","","","","has coordinates","216509","2020-10-21","18:00:00",""
"7232951","8.4406","0.0006","12.7982","0.0011","14.3406","0.0011","90","","105.55","0.007","90","","1492.4","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br N2 O5 S -","- C12 H13 Br N2 O5 S -","- C48 H52 Br4 N8 O20 S4 -","4","1","","Yang, Kai; Gao, Juan-Juan; Luo, Shi-He; Wu, Han-Qing; Pang, Chu-Ming; Wang, Bo-Wen; Chen, Xiao-Yun; Wang, Zhao-Yang","Quick construction of a C–N bond from arylsulfonyl hydrazides and Csp2–X compounds promoted by DMAP at room temperature","RSC Advances","2019","9","35","19917","","10.1039/C9RA03403J","","x-ray","0.71073","MoKα","","0.0969","0.0528","","","0.094","0.11","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232952","8.8741","0.0011","7.988","0.0012","21.034","0.003","90","","96.975","0.012","90","","1480","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br2 N2 O3 -","- C12 H14 Br2 N2 O3 -","- C48 H56 Br8 N8 O12 -","4","1","","Yang, Kai; Gao, Juan-Juan; Luo, Shi-He; Wu, Han-Qing; Pang, Chu-Ming; Wang, Bo-Wen; Chen, Xiao-Yun; Wang, Zhao-Yang","Quick construction of a C–N bond from arylsulfonyl hydrazides and Csp2–X compounds promoted by DMAP at room temperature","RSC Advances","2019","9","35","19917","","10.1039/C9RA03403J","","x-ray","0.71073","MoKα","","0.1347","0.0611","","","0.1076","0.1367","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7232989","9.6628","0.0003","17.8319","0.0005","8.5916","0.0003","90","","105.541","0.003","90","","1426.26","0.08","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 I2 N2 -","- C28 H38 I2 N2 -","- C56 H76 I4 N4 -","2","0.5","","Dong, Ying; Jv, Jing-Jing; Li, Yue; Li, Wen-Han; Chen, Yun-Qi; Sun, Qian; Ma, Jian-Ping; Dong, Yu-Bin","Nickel-metalated porous organic polymer for Suzuki–Miyaura cross-coupling reaction","RSC Advances","2019","9","35","20266","","10.1039/C9RA03679B","","x-ray","1.54184","CuKα","","0.0926","0.0902","","","0.2424","0.2483","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233002","6.8574","0.0008","8.7551","0.0011","15.6015","0.0018","74.57","0.005","81.993","0.006","84.59","0.006","892.5","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl N2 O3 S -","- C19 H15 Cl N2 O3 S -","- C38 H30 Cl2 N4 O6 S2 -","2","1","","Ahmed, Owais; Cherkadu, Vandana; Kalavagunta, Praveen Kumar; Shang, Jing","Solvent-dependent regio- and stereo-selective reactions of 3-formylchromones with 2-aminobenzothiazoles and transacetalization efficiency of the product 3-((benzo[d]thiazol-2-ylimino)butyl)-4H-chromen-4-one","RSC Advances","2019","9","36","20573","","10.1039/C9RA02763G","","","1.54178","CuKα","","0.0514","0.0438","","","0.1209","0.13","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233003","6.8422","0.0003","10.6873","0.0005","11.6987","0.0006","91.775","0.003","105.866","0.003","108.24","0.003","775.14","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br Mn N3 O3 -","- C15 H9 Br Mn N3 O3 -","- C30 H18 Br2 Mn2 N6 O6 -","2","1","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.0575","0.044","","","0.1092","0.1173","","","","","","1.041","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233004","11.2347","0.0007","12.2555","0.0007","16.448","0.001","82.506","0.002","88.492","0.003","77.515","0.002","2192.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cl Mn N3 O6 P2 -","- C50 H39 Cl Mn N3 O6 P2 -","- C100 H78 Cl2 Mn2 N6 O12 P4 -","2","1","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.047","0.0353","","","0.0914","0.0996","","","","","","1.036","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233005","7.2679","0.0014","15.531","0.005","20.574","0.004","90","","98.92","0.017","90","","2294.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br Mn N5 O4 -","- C23 H17 Br Mn N5 O4 -","- C92 H68 Br4 Mn4 N20 O16 -","4","1","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.2399","0.0948","","","0.1679","0.2319","","","","","","0.98","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233006","7.09","0.002","18.276","0.006","13.255","0.004","90","","96.754","0.006","90","","1705.6","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4.25 H2.5 Br0.25 Mn0.25 N O0.75 -","- C4.25 H2.5 Br0.25 Mn0.25 N O0.75 -","- C68 H40 Br4 Mn4 N16 O12 -","16","4","","Hu, Mixia; Yan, YaLi; Zhu, Baohua; Chang, Fei; Yu, Shiyong; Alatan, Gaole","A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation","RSC Advances","2019","9","36","20505","","10.1039/C9RA01370A","","","0.71073","MoKα","","0.1025","0.048","","","0.0848","0.1019","","","","","","0.9305","","","","has coordinates","216700","2020-10-21","18:00:00",""
"7233024","9.2594","0.0005","14.0086","0.0008","23.9807","0.0014","75.588","0.002","79.665","0.002","77.224","0.002","2912.5","0.3","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H6 N2 O15 Ru5 -","- C21 H6 N2 O15 Ru5 -","- C84 H24 N8 O60 Ru20 -","4","2","","Hossain, Md. Monir; Akter, Nahid; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CHCH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CHC)(μ-H)3","RSC Advances","2019","9","36","21025","","10.1039/C9RA03841H","","","0.71073","MoKα","","0.0163","0.014","","","0.0298","0.0305","","","","","","1.112","","","","has coordinates","216770","2020-10-21","18:00:00",""
"7233025","10.878","0.0007","18.0767","0.0011","19.8398","0.0012","90","","96.527","0.002","90","","3876","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl2 N2 O6 P2 Ru3 -","- C38 H30 Cl2 N2 O6 P2 Ru3 -","- C152 H120 Cl8 N8 O24 P8 Ru12 -","4","1","","Hossain, Md. Monir; Akter, Nahid; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CHCH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CHC)(μ-H)3","RSC Advances","2019","9","36","21025","","10.1039/C9RA03841H","","","0.71073","MoKα","","0.1155","0.057","","","0.0894","0.105","","","","","","1.027","","","","has coordinates","216770","2020-10-21","18:00:00",""
"7233026","10.3141","0.0012","31.916","0.004","13.0093","0.0014","90","","100.089","0.003","90","","4216.2","0.9","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H6 N2 O24 Ru8 -","- C30 H6 N2 O24 Ru8 -","- C120 H24 N8 O96 Ru32 -","4","1","","Hossain, Md. Monir; Akter, Nahid; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","New molecular architectures containing low-valent cluster centres with di- and trimetalated 2-vinylpyrazine ligands: synthesis and molecular structures of Ru5(CO)15(μ5-C4H2N2CHCH)(μ-H)2 and Ru8(CO)24(μ7-C4H2N2CHC)(μ-H)3","RSC Advances","2019","9","36","21025","","10.1039/C9RA03841H","","","0.71073","MoKα","","0.0528","0.041","","","0.0756","0.0786","","","","","","1.178","","","","has coordinates","216770","2020-10-21","18:00:00",""
"7233034","7.1822","0.001","14.0258","0.0018","15.777","0.0019","89.987","0.009","90.007","0.01","77.128","0.01","1549.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","2","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Das, Debasis","Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity: ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support","RSC Advances","2019","9","37","21302","","10.1039/C9RA03652K","","","0.71073","MoKα","","0.1952","0.1074","","","0.2463","0.2926","","","","","","1.13","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233035","10.8682","0.0005","11.1818","0.0006","16.0637","0.0008","88.542","0.003","73.254","0.002","70.084","0.003","1751.83","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","NPED SNND","","- C20 H16 N3 O4 -","- C19 H25 N3 O -","- C76 H100 N12 O4 -","4","2","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Das, Debasis","Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity: ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support","RSC Advances","2019","9","37","21302","","10.1039/C9RA03652K","","","0.71073","MoKα","","0.1113","0.0749","","","0.2233","0.2493","","","","","","1.575","","","","has coordinates","216855","2020-10-21","18:00:00",""
"7233036","16.524","0.003","5.9394","0.0012","13.232","0.002","90","","113.56","0.011","90","","1190.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Khanra, Somnath; Ta, Sabyasachi; Ghosh, Milan; Chatterjee, Sudeshna; Das, Debasis","Subtle structural variation in azine/imine derivatives controls Zn2+ sensitivity: ESIPT-CHEF combination for nano-molar detection of Zn2+ with DFT support","RSC Advances","2019","9","37","21302","","10.1039/C9RA03652K","","","0.71073","MoKα","","0.0828","0.0525","","","0.1276","0.1502","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233074","6.7932","0.0003","10.6086","0.0005","24.6911","0.0012","90","","92.86","0.004","90","","1777.18","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N2 O5 P -","- C17 H23 N2 O5 P -","- C68 H92 N8 O20 P4 -","4","1","","Wang, Jiaxing; Tao, Yong; Feng, Jing; Niu, Yidong; Liu, Jichao; Huang, Yanbin","In vitro and in vivo evaluation of benzathine foscarnet microcrystals as a potential intravitreal drug depot","RSC Advances","2019","9","37","21318","","10.1039/C9RA03070K","","x-ray","1.54184","CuKα","","0.1145","0.1069","","","0.2699","0.2728","","","","","","1.286","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233075","10.3661","0.0005","10.1971","0.0005","19.6351","0.0009","90","","98.776","0.005","90","","2051.21","0.17","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(6-(benzyloxy)-5-methylene-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)(phenyl)methanone","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Wu, Qi; Shao, Pan-Lin; He, Yun","Synthesis of 1,4,5,6-tetrahydropyridazines and pyridazines via transition-metal-free (4 + 2) cycloaddition of alkoxyallenes with 1,2-diaza-1,3-dienes","RSC Advances","2019","9","37","21507","","10.1039/C9RA02712B","","","0.71073","MoKα","","0.0916","0.0574","","","0.1259","0.1517","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233100","11.3708","0.0002","11.3708","0.0002","38.3225","0.0014","90","","90","","90","","4954.9","0.2","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)cobalt(II) bromide chloride","","- C4 H16 Br1.052 Cl0.948 Co N4 O4 -","- C4 H16 Br1.052 Cl0.948 Co N4 O4 -","- C64 H256 Br16.832 Cl15.168 Co16 N64 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0524","0.0538","","","","","","1.035","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233101","7.3966","0.0004","19.1784","0.0008","10.1512","0.0004","90","","90","","90","","1440","0.11","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 Co I2 N4 O4 -","- C4 H16 Co I2 N4 O4 -","- C16 H64 Co4 I8 N16 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0531","0.0327","","","0.0529","0.0602","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233102","11.3175","0.0003","11.3175","0.0003","38.0842","0.0014","90","","90","","90","","4878","0.3","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)nickel(II) bromide chloride","","- C4 H16 Br0.937 Cl1.063 N4 Ni O4 -","- C4 H16 Br0.937 Cl1.063 N4 Ni O4 -","- C64 H256 Br14.992 Cl17.008 N64 Ni16 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0254","0.0223","","","0.0474","0.0485","","","","","","1.103","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233103","8.0185","0.0004","8.6901","0.0004","11.0929","0.0005","84.575","0.004","77.367","0.004","72.679","0.004","719.69","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 Cu2 I3 N4 O2 -","- C4 H12 Cu2 I3 N4 O2 -","- C8 H24 Cu4 I6 N8 O4 -","2","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0387","0.0259","","","0.0586","0.0686","","","","","","0.843","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233104","4.6688","0.0009","6.2057","0.0013","8.898","0.002","90","","101.486","0.019","90","","252.64","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","glycinamide hydrochloride","","- C2 H7 Cl N2 O -","- C2 H7 Cl N2 O -","- C4 H14 Cl2 N4 O2 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.045","0.0369","","","0.0921","0.0977","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233105","4.688","0.0001","18.6082","0.0004","6.7363","0.0002","90","","90","","90","","587.64","0.02","295","2","295","2","","","","","","","","5","P b c m","-P 2c 2b","57","glycinamide hydroiodide","2-aminoacetamide hydroiodide","","- C2 H7 I N2 O -","- C2 H7 I N2 O -","- C8 H28 I4 N8 O4 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0246","0.0188","","","0.0409","0.043","","","","","","1.109","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233106","7.5456","0.0003","18.9706","0.0007","10.1902","0.0003","90","","90","","90","","1458.67","0.09","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 I2 N4 Ni O4 -","- C4 H16 I2 N4 Ni O4 -","- C16 H64 I8 N16 Ni4 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0378","0.0299","","","0.065","0.0698","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233107","7.0098","0.0005","7.8128","0.0003","9.41","0.0005","90","","101.963","0.006","90","","504.16","0.05","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Br1.3 Cl0.7 Cu N4 O2 -","- C4 H12 Br1.298 Cl0.702 Cu N4 O2 -","- C8 H24 Br2.596 Cl1.404 Cu2 N8 O4 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0288","0.0238","","","0.0553","0.0571","","","","","","1.122","","","","has coordinates,has disorder","217002","2020-10-21","18:00:00",""
"7233108","11.2394","0.0005","11.2394","0.0005","37.594","0.004","90","","90","","90","","4749","0.6","150","2","150","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)nickel(II) chloride","","- C4 H16 Cl2 N4 Ni O4 -","- C4 H16 Cl2 N4 Ni O4 -","- C64 H256 Cl32 N64 Ni16 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0378","0.0269","","","0.055","0.0592","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233109","6.8813","0.0002","7.742","0.0002","9.2635","0.0002","90","","101.779","0.003","90","","483.12","0.02","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichloro(glycinamide)copper(II)","","- C4 H12 Cl2 Cu N4 O2 -","- C4 H12 Cl2 Cu N4 O2 -","- C8 H24 Cl4 Cu2 N8 O4 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0153","0.0151","","","0.0477","0.0479","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233110","11.3145","0.0002","11.3145","0.0002","37.9735","0.0008","90","","90","","90","","4861.29","0.16","293","2","293","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","diaquabis(glycinamide)cobalt(II) chloride","","- C4 H16 Cl2 Co N4 O4 -","- C4 H16 Cl2 Co N4 O4 -","- C64 H256 Cl32 Co16 N64 O64 -","16","1","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","x-ray","0.71073","MoKα","","0.0177","0.0169","","","0.0423","0.0426","","","","","","1.129","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233111","7.2589","0.0007","10.3706","0.001","19.2258","0.0017","90","","98.742","0.009","90","","1430.5","0.2","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 I2 N4 Ni O4 -","- C4 H16 I2 N4 Ni O4 -","- C16 H64 I8 N16 Ni4 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0406","0.0353","","","0.0993","0.102","","","","","","1.19","","","","has coordinates","301866","2025-08-22","21:38:25",""
"7233166","14.5403","0.0003","14.5403","0.0003","36.4429","0.0008","90","","90","","120","","6672.5","0.2","180","","180","","","","","","","","","5","P 61","P 61","169","","","","- C54 H53.77 Cl0.24 N2 O4 -","- C54 H53.764 Cl0.236 N2 O4 -","- C324 H322.584 Cl1.416 N12 O24 -","6","1","","Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.","Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds","RSC Advances","2019","9","38","22017","","10.1039/C9RA05075B","","","1.5418","CuKα","","0.0441","0.0438","","0.1007","0.1004","0.1007","","","","","","0.9255","","","","has coordinates,has disorder","217099","2020-10-21","18:00:00",""
"7233167","13.9434","0.0006","17.188","0.0008","17.1967","0.0008","90","","105.489","0.0017","90","","3971.7","0.3","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 F3 N2 O5 -","- C44 H49 F3 N2 O5 -","- C176 H196 F12 N8 O20 -","4","1","","Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.","Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds","RSC Advances","2019","9","38","22017","","10.1039/C9RA05075B","","","1.5418","CuKα","","0.0469","0.0452","","0.1126","0.1117","0.1125","","","","","","1.0194","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233168","12.0248","0.0003","20.0249","0.0004","40.0398","0.0009","90","","93.8505","0.0012","90","","9619.6","0.4","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 N2 O6 -","- C55.9985 H61.9965 N2 O6 -","- C447.988 H495.972 N16 O48 -","8","2","","Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.","Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds","RSC Advances","2019","9","38","22017","","10.1039/C9RA05075B","","","1.54178","CuKα","","0.0733","0.0635","","0.1537","0.1421","0.1534","","","","","","0.974","","","","has coordinates,has disorder","217099","2020-10-21","18:00:00",""
"7233169","8.859","0.003","7.16","0.002","11.567","0.004","90","","95.287","0.011","90","","730.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H20 Cl4 N8 Zn2 -","- C26 H20 Cl4 N8 Zn2 -","- C26 H20 Cl4 N8 Zn2 -","1","0.25","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","","0.71073","MoKα","","0.0695","0.0549","","","0.1381","0.1466","","","","","","0.992","","","","has coordinates","217100","2020-10-21","18:00:00",""
"7233170","7.2313","0.0002","14.1852","0.0004","15.3646","0.0004","74.608","0.002","79.912","0.002","76.548","0.002","1466.99","0.07","116","2","116","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Cl2 F N4 Zn -","- C13 H9 Cl2 F N4 Zn -","- C52 H36 Cl8 F4 N16 Zn4 -","4","2","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","x-ray","1.54184","CuKα","","0.0845","0.0834","","","0.2387","0.2393","","","","","","1.119","","","","has coordinates,has disorder","217100","2020-10-21","18:00:00",""
"7233171","8.0697","0.0014","8.3754","0.0015","12.679","0.003","84.525","0.007","78.822","0.006","63.23","0.005","750.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N4 Zn -","- C14 H12 Cl2 N4 Zn -","- C28 H24 Cl4 N8 Zn2 -","2","1","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","","0.71073","MoKα","","0.0231","0.0223","","","0.0704","0.0709","","","","","","1.166","","","","has coordinates","217100","2020-10-21","18:00:00",""
"7233172","8.8612","0.0004","7.1511","0.0003","11.5516","0.0005","90","","95.301","0.004","90","","728.86","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl2 N5 Zn -","- C12 H9 Cl2 N5 Zn -","- C24 H18 Cl4 N10 Zn2 -","2","0.5","","Gusev, Alexey; Braga, Elena; Zamnius, Ekaterina; Kiskin, Mikhail; Kryukova, Mariya; Baryshnikova, Alina; Minaev, Boris; Baryshnikov, Gleb; Ågren, Hans; Linert, Wolfgang","Structure and excitation-dependent emission of novel zinc complexes with pyridyltriazoles","RSC Advances","2019","9","38","22143","","10.1039/C9RA02491C","","x-ray","1.54184","CuKα","","0.0491","0.0428","","","0.1444","0.1492","","","","","","1.105","","","","has coordinates,has disorder","217100","2020-10-21","18:00:00",""
"7233173","13.127","0.0002","7.9802","0.0001","13.2754","0.0002","90","","116.561","0.002","90","","1243.91","0.04","149.94","0.1","149.94","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","lonimacranaldes A","","- C24 H36 O11 -","- C24 H36 O11 -","- C48 H72 O22 -","2","1","","Mei, Yu-Dan; Li, Hai-Bo; Pang, Qian-Qian; Li, Ting; Pan, Da-Bo; Dai, Yi; Qin, Da-Peng; Meng, He; Yao, Xin-Sheng; Yu, Yang","Lonimacranaldes A–C, three iridoids with novel skeletons from Lonicera macranthoides","RSC Advances","2019","9","38","22011","","10.1039/C9RA04029C","","x-ray","1.54184","CuKα","","0.0371","0.036","","","0.0889","0.0899","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233223","9.6743","0.0014","40.711","0.006","20.576","0.003","90","","99.18","0.002","90","","8000","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cu F6 N5 P -","- C39 H49 Cu F6 N5 P -","- C312 H392 Cu8 F48 N40 P8 -","8","2","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0515","0.0436","","","0.0941","0.0974","","","","","","1.084","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233224","16.29","0.02","14.23","0.02","22.83","0.03","90","","102.63","0.02","90","","5164","12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H64 Cu F6 N4 P -","- C57 H64 Cu F6 N4 P -","- C228 H256 Cu4 F24 N16 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0498","0.0392","","","0.0993","0.1066","","","","","","1.025","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233225","11.26","0.001","28.112","0.003","12.5861","0.0011","90","","92.111","0.001","90","","3981.3","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H50.5 Cu F6 N5.5 P -","- C40 H50.5 Cu F6 N5.5 P -","- C160 H202 Cu4 F24 N22 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0522","0.0403","","","0.093","0.0987","","","","","","1.064","","","","has coordinates,has disorder","217183","2020-10-21","18:00:00",""
"7233226","18.788","0.003","10.7257","0.0015","19.777","0.003","90","","105.029","0.002","90","","3849","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 Cu F6 N5 P -","- C39 H49 Cu F6 N5 P -","- C156 H196 Cu4 F24 N20 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0533","0.0409","","","0.1034","0.113","","","","","","1.029","","","","has coordinates,has disorder","217183","2020-10-21","18:00:00",""
"7233227","12.683","0.011","18.454","0.016","25.59","0.02","87.913","0.015","80.698","0.014","71.923","0.014","5618","8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58.5 H68.5 Cl3 Cu F6 N4 P -","- C58.5 H68.5 Cl3 Cu F6 N4 P -","- C234 H274 Cl12 Cu4 F24 N16 P4 -","4","2","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.1067","0.0625","","","0.1655","0.1936","","","","","","1.042","","","","has coordinates,has disorder","217183","2020-10-21","18:00:00",""
"7233228","10.8441","0.001","12.6667","0.0012","18.9978","0.0018","90","","90","","90","","2609.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H38 Cl Cu N2 -","- C27 H38 Cl Cu N2 -","- C108 H152 Cl4 Cu4 N8 -","4","0.5","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0387","0.0285","","","0.0732","0.079","","","","","","1.037","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233229","9.7826","0.001","40.521","0.004","20.629","0.002","90","","99.209","0.002","90","","8072","1.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H102 Cu2 F12 N10 P2 -","- C78 H102 Cu2 F12 N10 P2 -","- C312 H408 Cu8 F48 N40 P8 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.0592","0.0449","","","0.093","0.098","","","","","","1.067","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233230","14.048","0.004","14.466","0.005","19.223","0.006","90","","92.497","0.005","90","","3903","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cu F6 N5 P -","- C39 H51 Cu F6 N5 P -","- C156 H204 Cu4 F24 N20 P4 -","4","1","","Glinton, Kwame; Latifi, Reza; Cockrell, David S.; Bardeaux, Matthew; Nguyen, Bachkhoa; Tahsini, Laleh","Synthesis, characterization, and photoluminescent studies of three-coordinate Cu(i)‒NHC complexes bearing unsymmetrically-substituted dipyridylamine ligands","RSC Advances","2019","9","39","22417","","10.1039/C9RA04886C","","","0.71073","MoKα","","0.061","0.0414","","","0.1171","0.1303","","","","","","1.066","","","","has coordinates","217183","2020-10-21","18:00:00",""
"7233258","20.82","0.11","12.78","0.06","17.52","0.09","90","","98.8","0.04","90","","4607","4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 N O8 -","- C20 H25 N O8 -","- C160 H200 N8 O64 -","8","1","","Okawara, Toru; Matsufuji, Yurina; Mizuno, Kouhei; Takehara, Kenji; Nagamura, Toshihiko; Iwasa, Seiji","Vinylpyrroles: solid-state structures and aggregation-induced emission properties","RSC Advances","2019","9","40","22817","","10.1039/C9RA04088A","","","0.71073","MoKα","","0.1107","0.0767","","","0.1876","0.2312","","","","","","1.0483","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233259","17.799","0.002","5.2201","0.0007","21.974","0.003","90","","101.833","0.013","90","","1998.3","0.5","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O7 -","- C20 H25 N3 O7 -","- C80 H100 N12 O28 -","4","1","","Okawara, Toru; Matsufuji, Yurina; Mizuno, Kouhei; Takehara, Kenji; Nagamura, Toshihiko; Iwasa, Seiji","Vinylpyrroles: solid-state structures and aggregation-induced emission properties","RSC Advances","2019","9","40","22817","","10.1039/C9RA04088A","","x-ray","0.71073","MoKα","","0.1443","0.0888","","","0.2163","0.2756","","","","","","1.1119","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233277","21.8547","0.0008","22.2502","0.0009","20.4982","0.0014","90","","90","","90","","9967.7","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C93 H144 Cl8 O10 -","- C93 H144 Cl8 O10 -","- C372 H576 Cl32 O40 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Synthesis, functionalization, and isolation of planar-chiral pillar[5]arenes with bulky substituents using a chiral derivatization agent","RSC Advances","2019","9","40","23295","","10.1039/C9RA03135A","","","0.71075","MoKα","","0.1201","0.0767","","","0.2172","0.2499","","","","","","1.05","","","","has coordinates,has disorder","217280","2020-10-21","18:00:00",""
"7233282","10.9488","0.0012","18.0795","0.0017","19.0595","0.0018","90","","106.326","0.008","90","","3620.7","0.6","90","2","90","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Dimethoxy-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium(III) 4,4-azopyridine","","- C31 H24 F9 N2 Nd O8 S3 -","- C31 H24 F9 N2 Nd O8 S3 -","- C124 H96 F36 N8 Nd4 O32 S12 -","4","1","","Kumar, Kunal; Abe, Daisuke; Komori-Orisaku, Keiko; Stefańczyk, Olaf; Nakabayashi, Koji; Shakirova, Julia R.; Tunik, Sergey P.; Ohkoshi, Shin-ichi","Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission","RSC Advances","2019","9","41","23444","","10.1039/C9RA03276B","","","0.71075","MoKα","","0.0746","0.0698","","","0.1089","0.1101","","","","","","1.483","","","","has coordinates,has disorder","217304","2020-10-21","18:00:00",""
"7233283","10.2196","0.0003","12.3454","0.0005","13.2336","0.0005","79.269","0.006","84.424","0.006","81.211","0.006","1617.09","0.11","296","2","296","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","4-pyridinol-aqua-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium","","- C29 H18 F9 N Nd O8 S3 -","- C29 H18 F9 N Nd O8 S3 -","- C58 H36 F18 N2 Nd2 O16 S6 -","2","1","","Kumar, Kunal; Abe, Daisuke; Komori-Orisaku, Keiko; Stefańczyk, Olaf; Nakabayashi, Koji; Shakirova, Julia R.; Tunik, Sergey P.; Ohkoshi, Shin-ichi","Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission","RSC Advances","2019","9","41","23444","","10.1039/C9RA03276B","","","0.71075","MoKα","","0.0402","0.0326","","","0.0742","0.0765","","","","","","1.076","","","","has coordinates,has disorder","217304","2020-10-21","18:00:00",""
"7233284","10.8784","0.0004","18.8797","0.0008","19.2659","0.0007","90","","105.874","0.008","90","","3806","0.3","340","2","340","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Dimethoxy-tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato)-neodymium(III) 4,4-Azopyridine","","- C31 H24 F9 N2 Nd O8 S3 -","- C31 H24 F9 N2 Nd O8 S3 -","- C124 H96 F36 N8 Nd4 O32 S12 -","4","1","","Kumar, Kunal; Abe, Daisuke; Komori-Orisaku, Keiko; Stefańczyk, Olaf; Nakabayashi, Koji; Shakirova, Julia R.; Tunik, Sergey P.; Ohkoshi, Shin-ichi","Neodymium β-diketonate showing slow magnetic relaxation and acting as a ratiometric thermometer based on near-infrared emission","RSC Advances","2019","9","41","23444","","10.1039/C9RA03276B","","","0.71075","MoKα","","0.1185","0.0849","","","0.1313","0.1423","","","","","","1.172","","","","has coordinates,has disorder","217304","2020-10-21","18:00:00",""
"7233285","5.8707","0.0004","14.3113","0.0011","19.7441","0.0015","90","","90.736","0.005","90","","1658.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Akbar, Sikkandarkani; Tamilarasan, V. John; Srinivasan, Kannupal","Iodine-mediated synthesis of benzo[a]fluorenones from yne-enones","RSC Advances","2019","9","41","23652","","10.1039/C9RA02376C","","","0.71073","MoKα","","0.116","0.0593","","","0.1511","0.1907","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233286","12.8146","0.001","20.5355","0.0017","13.4451","0.0011","90","","98.225","0.001","90","","3501.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N8 S2 Zn -","- C40 H28 N8 S2 Zn -","- C160 H112 N32 S8 Zn4 -","4","1","","Mitoraj, Mariusz P.; Afkhami, Farhad Akbari; Mahmoudi, Ghodrat; Khandar, Ali Akbar; Gurbanov, Atash V.; Zubkov, Fedor I.; Waterman, Rory; Babashkina, Maria G.; Szczepanik, Dariusz W.; Jena, Himanshu S.; Safin, Damir A.","Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes – experimental and theoretical investigations","RSC Advances","2019","9","41","23764","","10.1039/C9RA05276C","","","0.71073","MoKα","","0.0363","0.0258","","","0.0552","0.0588","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233287","13.3235","0.0009","15.6906","0.001","18.688","0.0013","65.795","0.002","71.872","0.002","77.01","0.002","3365.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H48 N18 O S6 Zn3 -","- C63 H48 N18 O S6 Zn3 -","- C126 H96 N36 O2 S12 Zn6 -","2","1","","Mitoraj, Mariusz P.; Afkhami, Farhad Akbari; Mahmoudi, Ghodrat; Khandar, Ali Akbar; Gurbanov, Atash V.; Zubkov, Fedor I.; Waterman, Rory; Babashkina, Maria G.; Szczepanik, Dariusz W.; Jena, Himanshu S.; Safin, Damir A.","Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes ‒ experimental and theoretical investigations","RSC Advances","2019","9","41","23764","","10.1039/C9RA05276C","","","0.71073","MoKα","","0.1102","0.0549","","","0.1421","0.1712","","","","","","1.024","","","","has coordinates,has disorder","217343","2020-10-21","18:00:00",""
"7233288","11.836","0.004","14.385","0.004","14.807","0.004","68.045","0.003","83.861","0.003","78.264","0.003","2288","1.2","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl3 N9 O4 Zn2 -","- C42 H44 Cl3 N9 O4 Zn2 -","- C84 H88 Cl6 N18 O8 Zn4 -","2","1","","Mitoraj, Mariusz P.; Afkhami, Farhad Akbari; Mahmoudi, Ghodrat; Khandar, Ali Akbar; Gurbanov, Atash V.; Zubkov, Fedor I.; Waterman, Rory; Babashkina, Maria G.; Szczepanik, Dariusz W.; Jena, Himanshu S.; Safin, Damir A.","Structural versatility of the quasi-aromatic Möbius type zinc(ii)-pseudohalide complexes ‒ experimental and theoretical investigations","RSC Advances","2019","9","41","23764","","10.1039/C9RA05276C","","","0.71073","MoKα","","0.0648","0.0483","","","0.1292","0.1386","","","","","","1.086","","","","has coordinates","217343","2020-10-21","18:00:00",""
"7233289","7.0827","0.0003","18.8755","0.0005","19.6605","0.0006","90","","90","","90","","2628.4","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N4 S2 -","- C14 H6 N4 S2 -","- C112 H48 N32 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; R°užička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push–pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0585","0.0431","","","0.0987","0.1053","","","","","","1.054","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233290","16.8041","0.0005","8.14","0.0003","23.1477","0.0009","90","","90","","90","","3166.27","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N4 O2 S2 -","- C16 H10 N4 O2 S2 -","- C128 H80 N32 O16 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; R°užička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push–pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0532","0.036","","","0.0927","0.1012","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233291","9.3323","0.0007","14.8768","0.0011","6.3126","0.0005","90","","90","","90","","876.41","0.12","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","0.5","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; R°užička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push–pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0606","0.0431","","","0.1016","0.1093","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233292","3.7497","0.0005","14.1534","0.0017","10.3386","0.0013","90","","97.855","0.004","90","","543.53","0.12","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H6 N6 -","- C11 H6 N6 -","- C22 H12 N12 -","2","0.5","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0841","0.0644","","","0.1462","0.153","","","","","","1.197","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233293","8.7934","0.0012","12.8464","0.0014","16.339","0.002","90","","101.394","0.005","90","","1809.3","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 N2 O S2 -","- C8 H5 N2 O S2 -","- C64 H40 N16 O8 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; R°užička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push–pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0592","0.0468","","","0.1211","0.1302","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233316","13.1393","0.0001","14.656","0.0001","15.4768","0.0001","110.23","0.001","91.262","0.001","108.149","0.001","2629.1","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H49 Cl3 N4 O2 -","- C61 H49 Cl3 N4 O2 -","- C122 H98 Cl6 N8 O4 -","2","1","","Singh, Anoop; Vanaparthi, Satheeshvarma; Choudhary, Sachin; Krishnan, Rangan; Kumar, Indresh","Synthesis of C2-tetrasubstituted indolin-3-ones via Cu-catalyzed oxidative dimerization of 2-aryl indoles and cross-addition with indoles","RSC Advances","2019","9","42","24050","","10.1039/C9RA04741G","","x-ray","1.54184","CuKα","","0.0645","0.0623","","","0.1847","0.1867","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233317","10.6198","0.0007","21.4213","0.0014","15.6347","0.0012","90","","94.833","0.006","90","","3544.1","0.4","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H82 Cu4 N6 O21 -","- C71 H82 Cu4 N6 O21 -","- C142 H164 Cu8 N12 O42 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Zarschler, Kristof; Stephan, Holger; Anson, Christopher E.; Powell, Annie K.","Tetranuclear Cu(ii)-chiral complexes: synthesis, characterization and biological activity","RSC Advances","2019","9","42","24087","","10.1039/C9RA03586A","","","0.71069","MoKα","","0.0648","0.038","","","0.0829","0.0936","","","","","","0.938","","","","has coordinates,has disorder","217378","2020-10-21","18:00:00",""
"7233318","10.583","","21.529","","15.571","","90","","94.7","","90","","3535.79","","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70.7 H80.8 Cu4 N6 O21 -","- C70.7 H80.8 Cu4 N6 O21 -","- C141.4 H161.6 Cu8 N12 O42 -","2","1","","Peewasan, Krisana; Merkel, Marcel P.; Zarschler, Kristof; Stephan, Holger; Anson, Christopher E.; Powell, Annie K.","Tetranuclear Cu(ii)-chiral complexes: synthesis, characterization and biological activity","RSC Advances","2019","9","42","24087","","10.1039/C9RA03586A","","","0.71359","","","0.0624","0.0431","","","0.1067","0.12","","","","","","0.977","","","","has coordinates,has disorder","217378","2020-10-21","18:00:00",""
"7233339","11.2387","0.0013","12.7989","0.0013","13.7827","0.0012","88.854","0.008","81.032","0.008","72.201","0.01","1863.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 La N3 O5 S3 -","- C43 H34 La N3 O5 S3 -","- C86 H68 La2 N6 O10 S6 -","2","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.0909","0.0515","","","0.0969","0.1104","","","","","","1.019","","","","has coordinates","217422","2020-10-21","18:00:00",""
"7233340","21.5274","0.0003","12.464","0.0002","39.1836","0.0005","90","","95.484","0.001","90","","10465.5","0.3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H49.5 Ce N6 O4.5 S3 -","- C48 H49.5 Ce N6 O4.5 S3 -","- C384 H396 Ce8 N48 O36 S24 -","8","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.077","0.0577","","","0.1658","0.1826","","","","","","1.03","","","","has coordinates,has disorder","217422","2020-10-21","18:00:00",""
"7233341","15.0364","0.0005","21.739","0.0008","25.9182","0.0009","90","","90","","90","","8472","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H39 Ce N3 O3 S6 -","- C45 H39 Ce N3 O3 S6 -","- C360 H312 Ce8 N24 O24 S48 -","8","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.0549","0.0374","","","0.0851","0.0939","","","","","","1.081","","","","has coordinates","217422","2020-10-21","18:00:00",""
"7233342","8.8604","0.0004","9.8978","0.0008","13.1171","0.0007","91.889","0.005","91.35","0.004","109.119","0.006","1085.59","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 F4 N2 O3 P -","- C21 H27 F4 N2 O3 P -","- C42 H54 F8 N4 O6 P2 -","2","1","","Kwiczak-Yiğitbaşı, Joanna; Pirat, Jean-Luc; Virieux, David; Volle, Jean-Noël; Janiak, Agnieszka; Hoffmann, Marcin; Mrzygłód, Jakub; Wawrzyniak, Dariusz; Barciszewski, Jan; Pluskota-Karwatka, Donata","Synthesis, structural studies and biological properties of some phosphono-perfluorophenylalanine derivatives formed by SNAr reactions","RSC Advances","2019","9","42","24117","","10.1039/C9RA03982A","","","0.71073","MoKα","","0.063","0.0447","","","0.0951","0.1062","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233343","11.7691","0.0009","12.2935","0.0005","16.8735","0.0009","101.12","0.004","99.04","0.005","118.147","0.006","2023.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 F4 N2 O3 P -","- C19 H23 F4 N2 O3 P -","- C76 H92 F16 N8 O12 P4 -","4","2","","Kwiczak-Yiğitbaşı, Joanna; Pirat, Jean-Luc; Virieux, David; Volle, Jean-Noël; Janiak, Agnieszka; Hoffmann, Marcin; Mrzygłód, Jakub; Wawrzyniak, Dariusz; Barciszewski, Jan; Pluskota-Karwatka, Donata","Synthesis, structural studies and biological properties of some phosphono-perfluorophenylalanine derivatives formed by SNAr reactions","RSC Advances","2019","9","42","24117","","10.1039/C9RA03982A","","","0.71073","MoKα","","0.0798","0.0527","","","0.1145","0.1311","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233344","10.6683","0.0003","11.9783","0.0003","20.8929","0.0006","90","","90","","90","","2669.86","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C128 H144 O16 -","4","1","","Cheng, Yuyu; Fang, Zhiqiang; Jia, Yanwen; Lu, Zhongyue; Li, Wenjun; Li, Pengfei","Organocatalytic enantioselective conjugate addition of 2-naphthols to ortho-hydroxyphenyl substituted para-quinone methides: access to unsymmetrical triarylmethanes","RSC Advances","2019","9","42","24212","","10.1039/C9RA04768A","","x-ray","1.54178","CuKα","","0.0417","0.04","","","0.0998","0.1012","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233352","9.5899","0.001","10.0614","0.001","14.8767","0.0015","108.05","0.001","104.714","0.001","91.568","0.001","1311.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H24 S2 -","- C34 H24 S2 -","- C68 H48 S4 -","2","1","","Yin, Ya; Chen, Zhao; Yang, Yue; Liu, Gang; Fan, Congbin; Pu, Shouzhi","Thiophene-containing tetraphenylethene derivatives with different aggregation-induced emission (AIE) and mechanofluorochromic characteristics","RSC Advances","2019","9","42","24338","","10.1039/C9RA04611A","","","0.71073","MoKα","","0.0735","0.0589","","","0.1747","0.1912","","","","","","1.05","","","","has coordinates,has disorder","217451","2020-10-21","18:00:00",""
"7233353","9.0738","0.0019","11.139","0.002","28.078","0.006","90","","90","","90","","2837.9","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 O2 S2 -","- C36 H24 O2 S2 -","- C144 H96 O8 S8 -","4","1","","Yin, Ya; Chen, Zhao; Yang, Yue; Liu, Gang; Fan, Congbin; Pu, Shouzhi","Thiophene-containing tetraphenylethene derivatives with different aggregation-induced emission (AIE) and mechanofluorochromic characteristics","RSC Advances","2019","9","42","24338","","10.1039/C9RA04611A","","","0.71073","MoKα","","0.1181","0.0474","","","0.0756","0.0938","","","","","","0.928","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233354","10.8736","0.0011","11.2191","0.0011","12.8583","0.0013","70.525","0.009","84.72","0.008","84.754","0.008","1469.5","0.3","298","2","298","","","","","","","","","5","P -1","-P 1","2","Heptacyclic Benzo[a]phenazinone","","","- C35 H27 Br N2 O4 -","- C36 H27 Br N2 O4 -","- C72 H54 Br2 N4 O8 -","2","1","","Bakthadoss, Manickam; Srinivasan, Jayakumar; Hussain, Mir Ashiq; Sharada, Duddu S.","Two step, one-pot sequential synthesis of functionalized hybrid polyheterocyclic scaffolds via a solid state melt reaction (SSMR)","RSC Advances","2019","9","42","24314","","10.1039/C9RA02590A","","","0.71073","MoKα","","0.1292","0.0598","","","0.1384","0.1773","","","","","","1.015","","","","has coordinates","217452","2020-10-21","18:00:00",""
"7233355","12.2139","0.0007","10.5529","0.0009","19.644","0.002","90","","96.522","0.007","90","","2515.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N2 O6 -","- C31 H19 N2 O6 -","- C124 H76 N8 O24 -","4","1","","Bakthadoss, Manickam; Srinivasan, Jayakumar; Hussain, Mir Ashiq; Sharada, Duddu S.","Two step, one-pot sequential synthesis of functionalized hybrid polyheterocyclic scaffolds via a solid state melt reaction (SSMR)","RSC Advances","2019","9","42","24314","","10.1039/C9RA02590A","","","0.71073","MoKα","","0.0973","0.0578","","","0.155","0.1834","","","","","","1.051","","","","has coordinates,has disorder","217452","2020-10-21","18:00:00",""
"7233377","12.5515","0.0005","5.93199","0.00019","21.5896","0.0011","90","","101.138","0.004","90","","1577.18","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-phenyl-4-(p-tolylselanyl)-1H-pyrazol-5-amine","","- C17 H17 N3 Se -","- C17 H17 N3 Se -","- C68 H68 N12 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0596","0.0365","","","0.0731","0.0819","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233378","10.7344","0.0004","11.4734","0.0004","13.5667","0.0005","92.85","0.003","109.342","0.003","97.713","0.003","1554.36","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-((2-fluorphenyl)selanyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine","","- C16 H14 F N3 Se -","- C16 H14 F N3 Se -","- C64 H56 F4 N12 Se4 -","4","2","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.083","0.0407","","","0.0773","0.0932","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233379","5.7537","0.0002","23.2453","0.0008","12.4112","0.0005","90","","90.937","0.004","90","","1659.73","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-phenyl-4-((3-trifluoromethyl)phenyl)selanyl)-1H-pyrazol-5-amine","","- C17 H14 F3 N3 Se -","- C17 H14 F3 N3 Se -","- C68 H56 F12 N12 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0408","0.0304","","","0.067","0.0711","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233380","8.0441","0.0003","16.3997","0.0006","12.5446","0.0005","90","","106.994","0.004","90","","1582.63","0.11","298","3","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-methyl-4-((3-nitrophenyl)selanyl)-1-phenyl-1H-pyrazol-5-amine","","- C16 H14 N4 O2 Se -","- C16 H14 N4 O2 Se -","- C64 H56 N16 O8 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0336","0.0262","","","0.0636","0.0669","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233381","12.6478","0.001","10.1017","0.0008","26.833","0.003","90","","90","","90","","3428.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 2-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)selanyl)benzoate","","- C18 H17 N3 O2 Se -","- C18 H17 N3 O2 Se -","- C144 H136 N24 O16 Se8 -","8","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.1656","0.0537","","","0.0992","0.1373","","","","","","0.982","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233382","9.4439","0.0004","26.141","0.0011","12.8829","0.0004","90","","91.719","0.003","90","","3179","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((2-bromophenyl)selanyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine","","- C16 H14 Br N3 Se -","- C16 H14 Br N3 Se -","- C128 H112 Br8 N24 Se8 -","8","2","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.0859","0.0403","","","0.0647","0.0772","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233383","7.8948","0.0005","7.9369","0.0006","31.3002","0.0016","83.404","0.005","89.627","0.005","60.612","0.007","1694.8","0.2","298","3","293","2","","","","","","","","6","P -1","-P 1","2","","3-bromo-2-(1-phenetyl)-4-nitro-1H-pyrazol-3-yl)selanyl)pyridine","","- C16 H13 Br N4 O2 Se -","- C16 H13 Br N4 O2 Se -","- C64 H52 Br4 N16 O8 Se4 -","4","2","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.1642","0.0604","","","0.0631","0.086","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233384","4.8207","0.0003","36.9783","0.0015","10.4021","0.0006","90","","95.86","0.006","90","","1844.6","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-ethylbenzyl)-4-nitro-3-(p-tolylselanyl)pyridine","","- C19 H19 N3 O2 Se -","- C19 H19 N3 O2 Se -","- C76 H76 N12 O8 Se4 -","4","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C–H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.1563","0.0516","","","0.0916","0.1214","","","","","","1.001","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233385","17.23","0.03","19.96","0.03","9.432","0.015","90","","105.708","0.018","90","","3123","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 N2 O6 Zn -","- C14 H19 N2 O6 Zn -","- C112 H152 N16 O48 Zn8 -","8","1","","He, Zimo; Zhao, Xi; Pan, Xinbo; Li, Yuanyuan; Wang, XiaoXiao; Xu, Haitao; Xu, Zhenliang","Ligand geometry controlling Zn-MOF partial structures for their catalytic performance in Knoevenagel condensation","RSC Advances","2019","9","43","25170","","10.1039/C9RA04499J","","","0.71073","MoKα","","0.0467","0.0443","","","0.1178","0.1188","","","","","","1.162","","","","has coordinates","217523","2020-10-21","18:00:00",""
"7233386","8.585","0.005","10.181","0.006","14.86","0.012","104.46","0.009","101.001","0.009","102.349","0.006","1186.9","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N5 O7 Zn -","- C23 H21 N5 O7 Zn -","- C46 H42 N10 O14 Zn2 -","2","1","","He, Zimo; Zhao, Xi; Pan, Xinbo; Li, Yuanyuan; Wang, XiaoXiao; Xu, Haitao; Xu, Zhenliang","Ligand geometry controlling Zn-MOF partial structures for their catalytic performance in Knoevenagel condensation","RSC Advances","2019","9","43","25170","","10.1039/C9RA04499J","","","0.71073","MoKα","","0.0395","0.0362","","","0.0949","0.0972","","","","","","1.001","","","","has coordinates","217523","2020-10-21","18:00:00",""
"7233387","14.74","0.03","8.444","0.015","19.15","0.03","90","","106.957","0.017","90","","2280","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N5 O8 Zn -","- C22 H21 N5 O8 Zn -","- C88 H84 N20 O32 Zn4 -","4","1","","He, Zimo; Zhao, Xi; Pan, Xinbo; Li, Yuanyuan; Wang, XiaoXiao; Xu, Haitao; Xu, Zhenliang","Ligand geometry controlling Zn-MOF partial structures for their catalytic performance in Knoevenagel condensation","RSC Advances","2019","9","43","25170","","10.1039/C9RA04499J","","","0.71073","MoKα","","0.0433","0.0372","","","0.1466","0.1604","","","","","","1.173","","","","has coordinates","217523","2020-10-21","18:00:00",""
"7233388","12.4608","0.0007","16.0495","0.0007","22.7935","0.0011","90","","99.656","0.002","90","","4493.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Diethyl-(1-((2-amino-1-(pyridin-2-yl)ethoxy)(tert-butyl)amino)- 2,2-dimethylpropyl)phosphonate-2NPy,NNH2- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]","","- C33 H42 F12 N3 O9 P Zn -","- C33 H42 F12 N3 O9 P Zn -","- C132 H168 F48 N12 O36 P4 Zn4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.0805","0.0529","","","0.144","0.184","","","","","","1.069","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233389","15.7902","0.0006","11.3758","0.0004","23.2214","0.0011","90","","105.424","0.002","90","","4020.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cyclo-bis-(?-2-(1-((tert-Butyl(1-(diethoxyphosphoryl)- 2,2-dimethylpropyl)amino)oxy)ethyl)pyrazine-1,4-dioxide-kON-O:kOP=O- tetrakis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')dizinc(II)","","- C58 H76 F24 N6 O20 P2 Zn2 -","- C58 H76 F24 N6 O20 P2 Zn2 -","- C116 H152 F48 N12 O40 P4 Zn4 -","2","0.5","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.0612","0.0453","","","0.1217","0.1366","","","","","","1.06","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233390","13.121","0.0011","12.1695","0.0009","25.591","0.002","90","","98.367","0.004","90","","4042.8","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Diethyl-(1-(tert-butyl(2-hydroxy-1-(pyridin-2-yl)ethoxy)amino)- 2,2-dimethylpropyl)phosphonate-k2NPy,OP=O- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]","","- C30 H37 F12 N2 O9 P Zn -","- C30 H37 F12 N2 O9 P Zn -","- C120 H148 F48 N8 O36 P4 Zn4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.1026","0.0702","","","0.1898","0.2487","","","","","","1.016","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233391","11.3993","0.0006","13.6801","0.0008","16.1856","0.0009","96.668","0.002","94.471","0.002","100.497","0.002","2452.3","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","Diethyl-(1-((1-((tert-butyldimethylsilyl)oxy)-2-methylpropan-2-yl) (1-(pyridin-2-yl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate-k2NPy,OP=O- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]","","- C36 H53 F12 N2 O9 P Si Zn -","- C36 H53 F12 N2 O9 P Si Zn -","- C72 H106 F24 N4 O18 P2 Si2 Zn2 -","2","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.0686","0.0448","","","0.1255","0.1784","","","","","","1.052","","","","has coordinates,has disorder","217573","2020-10-21","18:00:00",""
"7233392","16.2198","0.0009","9.6226","0.0006","29.4018","0.0018","90","","93.873","0.005","90","","4578.5","0.5","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H36 N3 O5 P -","- C19 H36 N3 O5 P -","- C152 H288 N24 O40 P8 -","8","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C–ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","x-ray","0.71073","MoKα","","0.1172","0.0735","","","0.2152","0.3084","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233393","15.4251","0.0006","17.7197","0.0007","19.8153","0.0007","86.523","0.002","70.362","0.001","67.35","0.001","4692.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","bis-?-Diethyl-(1-(tert-butyl(1-(pyrazin-2-yl)ethoxy)amino)-2,2- dimethylpropyl)phosphonate-1k2N1Pyr,OP=O:2k2N1'Pyr,O'P=O:3k2N4Pyr,N4'Pyr- hexakis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato- 2O,O )trizinc(II)","","- C68 H78 F36 N6 O20 P2 Zn3 -","- C68 H78 F36 N6 O20 P2 Zn3 -","- C136 H156 F72 N12 O40 P4 Zn6 -","2","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana","How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines","RSC Advances","2019","9","44","25776","","10.1039/C9RA05334D","","","0.71073","MoKα","","0.074","0.0573","","","0.153","0.1701","","","","","","1.037","","","","has coordinates","217573","2020-10-21","18:00:00",""
"7233414","10.0776","0.0008","11.8793","0.001","16.4275","0.0009","95.541","0.005","104.025","0.006","112.585","0.008","1721.7","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 N O4 Si2 -","- C39 H39 N O4 Si2 -","- C78 H78 N2 O8 Si4 -","2","1","","Wu, Ya; Chen, Hua; Yang, Wenyu; Fan, Yu; Gao, Lu; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Asymmetric retro-[1,4]-Brook rearrangement of 3-silyl allyloxysilanes via chirality transfer from silicon to carbon","RSC Advances","2019","9","45","26209","","10.1039/C9RA05482K","","x-ray","0.71073","MoKα","","0.0649","0.0451","","","0.1051","0.1174","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233415","10.5099","0.0002","14.8311","0.0003","18.254","0.0003","90","","90","","90","","2845.31","0.09","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O Si2 -","- C32 H36 O Si2 -","- C128 H144 O4 Si8 -","4","1","","Wu, Ya; Chen, Hua; Yang, Wenyu; Fan, Yu; Gao, Lu; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Asymmetric retro-[1,4]-Brook rearrangement of 3-silyl allyloxysilanes via chirality transfer from silicon to carbon","RSC Advances","2019","9","45","26209","","10.1039/C9RA05482K","","x-ray","1.54178","CuKα","","0.0365","0.0352","","","0.0991","0.1009","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233419","10.38775","","10.38775","","5.69198","","90","","90","","120","","531.909","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Y Ca3 (Al O)3 (B O3)4","","- Al3 B4 Ca3 O15 Y -","- Al3 B4 Ca2.999 O15 Y1.001 -","- Al6 B8 Ca5.998 O30 Y2.002 -","2","0.166667","","Yue, Cheng; Zhu, Dachuan; Yan, Qun; Pu, Yong","A red-emitting Sr3La(1−x)Eux(AlO)3(BO3)4 phosphor with high thermal stability and color purity for near-UV-excited wLEDs","RSC Advances","2019","9","45","26364","","10.1039/C9RA05017E","","","","","","","","","","","","","","","","","","","","","has coordinates","217667","2020-10-21","18:00:00",""
"7233433","15.112","0.0004","21.1317","0.0004","29.3846","0.0008","90","","90","","90","","9383.7","0.4","296.14","0.1","296.14","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H12 Fe N6 O4 Pt -","- C17 H12 Fe N6 O4 Pt -","- C272 H192 Fe16 N96 O64 Pt16 -","16","1","","Zhao, Jia; Huang, Hui; Liu, Ming; Wang, Jin-Hua; Liu, Kai; Li, Zhao-Yang","Hofmann-like metal‒organic-framework-derived PtxFe/C/N-GC composites as efficient electrocatalysts for methanol oxidation","RSC Advances","2019","9","45","26450","","10.1039/C9RA04652F","","x-ray","1.54184","CuKα","","0.0376","0.0324","","","0.1084","0.1127","","","","","","1.136","","","","has coordinates","217698","2020-10-21","18:00:00",""
"7233578","9.7644","0.0015","12.097","0.002","13.137","0.002","90","","94.859","0.011","90","","1546.2","0.4","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","INDOLINE","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Mancinelli, Andrea; Albert, Joan; Ariza, Xavier; Barrios, Leoní A.; Garcia, Jordi; Gómez, Roberto; Granell, Jaume","Access to indolines from primary phenylethylamines by an unexpected palladium-catalyzed C–H functionalization process","RSC Advances","2019","9","47","27176","","10.1039/C9RA05670J","","","0.71073","MoKα","","0.0873","0.0617","","","0.1688","0.192","","","","","","1.109","","","","has coordinates,has disorder","301866","2025-08-22","21:38:26",""
"7233592","15.8088","0.0008","8.9035","0.0005","33.389","0.0016","90","","116.64","0.004","90","","4200.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 N3 O3 P3 -","- C48 H48 N3 O3 P3 -","- C192 H192 N12 O12 P12 -","4","1","","Bissessar, Damien; Egly, Julien; Achard, Thierry; Steffanut, Pascal; Bellemin-Laponnaz, Stéphane","Catalyst-free hydrophosphination of alkenes in presence of 2-methyltetrahydrofuran: a green and easy access to a wide range of tertiary phosphines","RSC Advances","2019","9","47","27250","","10.1039/C9RA04896K","","","1.54178","CuKα","","0.1981","0.1413","","","0.3985","0.4363","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233593","5.6788","0.0004","8.9086","0.0004","16.4624","0.0011","90.613","0.004","92.777","0.003","103.471","0.003","808.76","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 O6 P2 -","- C36 H40 O6 P2 -","- C36 H40 O6 P2 -","1","0.5","","Bissessar, Damien; Egly, Julien; Achard, Thierry; Steffanut, Pascal; Bellemin-Laponnaz, Stéphane","Catalyst-free hydrophosphination of alkenes in presence of 2-methyltetrahydrofuran: a green and easy access to a wide range of tertiary phosphines","RSC Advances","2019","9","47","27250","","10.1039/C9RA04896K","","","0.71073","MoKα","","0.2133","0.1689","","","0.4599","0.4923","","","","","","1.847","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233594","14.878","0.007","12.149","0.006","27.262","0.012","90","","96.052","0.012","90","","4900","4","100","1","100","","","","","","","","synthetized by authors","4","C 1 2/c 1","-C 2yc","15","","2-(4-(4-Methoxyphenyl)-3-methyl-1-phenylindeno[1,2-b]pyrazolo[4,3-e]pyridin-5(1H)-ylidene)malononitrile'","","- C30 H19 N5 O -","- C30 H19 N5 O -","- C240 H152 N40 O8 -","8","1","","Orrego-Hernández, Jessica; Lizarazo, Carolina; Cobo, Justo; Portilla, Jaime","Pyrazolo-fused 4-azafluorenones as key reagents for the synthesis of fluorescent dicyanovinylidene-substituted derivatives","RSC Advances","2019","9","47","27318","","10.1039/C9RA04682H","","","0.71073","MoKα","","0.09","0.0628","","","0.1251","0.1339","","","","","","1.121","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233622","9.8205","0.0007","10.1704","0.0009","24.3671","0.0019","91.834","0.007","92.224","0.006","97.271","0.006","2410.7","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 B N2 P -","- C22 H42 B N2 P -","- C88 H168 B4 N8 P4 -","4","2","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.1033","0.0611","","","0.1495","0.1692","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233623","9.685","0.0012","39.588","0.004","13.4734","0.0014","90","","91.441","0.009","90","","5164.2","1","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 B N2 O2 P -","- C23 H42 B N2 O2 P -","- C184 H336 B8 N16 O16 P8 -","8","2","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.1463","0.0976","","","0.2713","0.3189","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233624","8.0693","0.0003","9.6703","0.0003","18.1095","0.0006","99.245","0.003","93.689","0.003","113.906","0.003","1261.93","0.08","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H46 B N2 O2 P -","- C21 H46 B N2 O2 P -","- C42 H92 B2 N4 O4 P2 -","2","1","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.0508","0.0423","","","0.1102","0.1159","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233625","10.285","0.001","10.3928","0.001","11.6466","0.0015","103.37","0.009","96.366","0.009","91.47","0.008","1202","0.2","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 B N2 P -","- C24 H38 B N2 P -","- C48 H76 B2 N4 P2 -","2","1","","Szynkiewicz, Natalia; Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Diaminophosphinoboranes: effective reagents for phosphinoboration of CO2","RSC Advances","2019","9","48","27749","","10.1039/C9RA06638A","","","0.71073","MoKα","","0.0412","0.0342","","","0.0857","0.0898","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233626","3.45878","0.00005","3.45878","0.00005","21.201","0.0005","90","","90","","120","","219.651","0.007","573.15","","573.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.032","0.0297","","0.0351","0.0349","","","0.0462","1.46","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233627","3.4384","0.00008","3.4384","0.00008","21.0431","0.0006","90","","90","","120","","215.453","0.009","291.15","","291.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.0333","0.0311","","0.0414","0.0413","","","0.052","2.04","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233628","3.48717","0.00007","3.48717","0.00007","21.3635","0.0008","90","","90","","120","","224.983","0.011","973.15","","973.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.0414","0.0324","","0.0347","0.034","","","0.0464","1.31","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233629","3.43273","0.00009","3.43273","0.00009","21.0014","0.0009","90","","90","","120","","214.318","0.012","293.15","","293.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","x-ray","1.5406","CuKα","","0.0428","0.0405","","0.0505","0.0504","","","0.066","3.35","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233630","3.47973","0.00006","3.47973","0.00006","21.324","0.0007","90","","90","","120","","223.61","0.009","873.15","","873.15","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","sodium titanium disulfide, sodium deficient","","- Na0.5 S2 Ti -","- Na0.5 S2 Ti -","- Na1.5 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin","Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it","RSC Advances","2019","9","48","27780","","10.1039/C9RA05690D","powder diffraction","neutron","1.594","neutron","","0.0352","0.0312","","0.0355","0.035","","","0.0438","1.33","","","","","","","has coordinates","217956","2020-10-21","18:00:00",""
"7233699","24.2963","0.0006","10.0731","0.0003","13.8796","0.0004","90","","111.106","0.001","90","","3169","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Co N14 O10 S2 -","- C20 H30 Co N14 O10 S2 -","- C80 H120 Co4 N56 O40 S8 -","4","0.5","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Mimicking 2,2′:6′,2′′:6′′,2′′′-quaterpyridine complexes for the light-driven hydrogen evolution reaction: synthesis, structural, thermal and physicochemical characterizations","RSC Advances","2019","9","48","28153","","10.1039/C9RA04303A","","x-ray","1.34139","GaKα","","0.0531","0.0426","","","0.1057","0.1122","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233700","10.1245","0.0003","15.8382","0.0004","21.6268","0.0006","90","","102.018","0.001","90","","3391.93","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N14 O7 -","- C18 H18 Cu N14 O7 -","- C72 H72 Cu4 N56 O28 -","4","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Mimicking 2,2′:6′,2′′:6′′,2′′′-quaterpyridine complexes for the light-driven hydrogen evolution reaction: synthesis, structural, thermal and physicochemical characterizations","RSC Advances","2019","9","48","28153","","10.1039/C9RA04303A","","x-ray","1.34139","GaKα","","0.0721","0.0677","","","0.2067","0.211","","","","","","1.103","","","","has coordinates,has disorder","218063","2020-10-21","18:00:00",""
"7233701","9.6118","0.0005","11.7609","0.0006","14.1181","0.0008","95.139","0.003","91.02","0.003","113.356","0.002","1456.81","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N14 Ni O7 -","- C16 H16 N14 Ni O7 -","- C32 H32 N28 Ni2 O14 -","2","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam","Mimicking 2,2′:6′,2′′:6′′,2′′′-quaterpyridine complexes for the light-driven hydrogen evolution reaction: synthesis, structural, thermal and physicochemical characterizations","RSC Advances","2019","9","48","28153","","10.1039/C9RA04303A","","x-ray","1.34139","GaKα","","0.0689","0.0554","","","0.1483","0.1569","","","","","","1.045","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7233732","21.982","0.003","21.982","0.003","7.5974","0.0002","90","","90","","90","","3671.1","0.7","293","2","293","2","","","","","","","","6","I -4","I -4","82","","bis(tetrakis(Pyridine)-silver(I)) octakis(bis(pyridine)-silver(i)) decapermanganate","","- C60 H60 Ag5 Mn5 N12 O20 -","- C60 H60 Ag5 Mn5 N12 O20 -","- C120 H120 Ag10 Mn10 N24 O40 -","2","0.25","","Kovács, Gréta Bettina; May, Nóra V.; Bombicz, Petra Alexandra; Klébert, Szilvia; Németh, Péter; Menyhárd, Alfréd; Novodárszki, Gyula; Petrusevski, Vladimir; Franguelli, Fernanda Paiva; Magyari, József; Béres, Kende; Szilágyi, Imre Miklós; Kótai, László","An unknown component of a selective and mild oxidant: structure and oxidative ability of a double salt-type complex having κ1O-coordinated permanganate anions and three- and four-fold coordinated silver cations","RSC Advances","2019","9","49","28387","","10.1039/C9RA03230D","","","0.71073","MoKα","","0.0441","0.0367","","","0.0655","0.0675","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:26",""
"7233765","10.926","0.002","21.31","0.004","8.9155","0.0018","90","","94.02","0.03","90","","2070.7","0.7","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","1","","Aziz, Marian N.; Panda, Siva S.; Shalaby, ElSayed M.; Fawzy, Nehmedo G.; Girgis, Adel S.","Facile synthetic approach towards vasorelaxant active 4-hydroxyquinazoline-4-carboxamides","RSC Advances","2019","9","49","28534","","10.1039/C9RA04321G","","","0.7","MoKα","","0.0669","0.0664","","0.1848","0.1847","0.1847","","","","","","1.1993","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233766","17.5","0.004","13.189","0.003","17.709","0.004","90","","117.61","0.03","90","","3621.9","1.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C160 H168 N24 O24 -","8","2","","Aziz, Marian N.; Panda, Siva S.; Shalaby, ElSayed M.; Fawzy, Nehmedo G.; Girgis, Adel S.","Facile synthetic approach towards vasorelaxant active 4-hydroxyquinazoline-4-carboxamides","RSC Advances","2019","9","49","28534","","10.1039/C9RA04321G","","","0.7","MoKα","","0.0473","0.0448","","0.1108","0.1098","0.1098","","","","","","1.1752","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233787","7.5311","0.0007","8.096","0.0009","11.1845","0.0012","72.496","0.01","83.728","0.009","73.792","0.017","624.28","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","2-[(2,6-dimethylphenyl)amino]benzoic acid","2-[(2,6-dimethylphenyl)amino]benzoic acid","","- C7.5 H7.5 N0.5 O -","- C7.5 H7.5 N0.5 O -","- C30 H30 N2 O4 -","4","2","","Salbego, Paulo R. S.; Orlando, Tainára; Martins, Marcos A. P.","Comment on ‘Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid’ by R. Hu, Y. Zhoujin, M. Liu, M. Zhang, S. Parkin, P. Zhou, J. Wang, F. Yu and S. Long, RSC Adv., 2018, 8, 15459","RSC Advances","2019","9","48","28195","","10.1039/C8RA07188H","","x-ray","0.71069","MoKα","","0.037","0.0366","","","0.1068","0.1071","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233819","7.24645","0.00014","17.8507","0.0004","9.27013","0.00018","90","","92.137","0.0016","90","","1198.3","0.04","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[[4-[hydroxymethyl(methyl)amino]phenyl]methylene]propanedinitrile","","- C13 H13 N3 O -","- C13.0027 H13.0072 N3.0009 O1.0009 -","- C52.0108 H52.0288 N12.0036 O4.0036 -","4","1","","Percino, M. Judith; Cerón, Margarita; Venkatesan, Perumal; Pérez-Gutiérrez, Enrique; Santos, Pilar; Ceballos, Paulina; Castillo, Armando E.; Gordillo-Guerra, Paola; Anandhan, Karnambaram; Barbosa-García, Oracio; Bernal, Wilson; Thamotharan, Subbiah","A low molecular weight OLED material: 2-(4-((2-hydroxyethyl)(methyl)amino)benzylidene)malononitrile. Synthesis, crystal structure, thin film morphology, spectroscopic characterization and DFT calculations","RSC Advances","2019","9","49","28704","","10.1039/C9RA05425A","","","1.54178","CuKα","","0.0425","0.0344","","","0.0867","0.0935","","","","","","1.023","","","","has coordinates,has disorder","218245","2020-10-21","18:00:00",""
"7233843","12.853","0.008","6.005","0.004","32.64","0.02","90","","101.13","0.04","90","","2472","3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 F17 O2 P -","- C23 H16 F17 O2 P -","- C92 H64 F68 O8 P4 -","4","1","","Begum, Farzana; Ikram, Muhammad; Twamley, Brendan; Baker, Robert J.","Perfluorinated phosphine and hybrid P–O ligands for Pd catalysed C–C bond forming reactions in solution and on Teflon supports","RSC Advances","2019","9","50","28936","","10.1039/C9RA04863D","","x-ray","0.71073","MoKα","","0.1019","0.0565","","","0.1126","0.1302","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233879","10.7895","0.0004","14.8634","0.0007","10.0794","0.0005","90","","92.246","0.004","90","","1615.18","0.13","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N5 O -","- C18 H17 N5 O -","- C72 H68 N20 O4 -","4","1","","Gambouz, Khadija; Driowya, Mohsine; Loubidi, Mohammed; Tber, Zahira; Allouchi, Hassan; El Kazzouli, Saïd; Akssira, Mohamed; Guillaumet, Gérald","Unusual rearrangement of imidazo[1,5-a]imidazoles and imidazo[1,2-b]pyrazoles into imidazo[1,5-a]pyrimidines and pyrazolo[1,5-a]pyrimidines","RSC Advances","2019","9","50","29051","","10.1039/C9RA04609G","","","0.71073","MoKα","","0.0884","0.0521","","","0.1025","0.1223","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233921","20.496","0.003","20.496","0.003","33.675","0.006","90","","90","","120","","12251","3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H55 Cl7 Cu6 N18 O49 -","- C24 H39 Cl7 Cu6 N18 O49 -","- C144 H234 Cl42 Cu36 N108 O294 -","6","0.333333","","Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso","Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks","RSC Advances","2019","9","50","29357","","10.1039/C9RA05922A","","","0.71073","MoKα","","0.1521","0.1021","","","0.2846","0.3377","","","","","","1.049","","","","has coordinates","218413","2020-10-21","18:00:00",""
"7233922","20.811","0.003","20.811","0.003","22.62","0.003","90","","90","","120","","8484","2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C48 H84 Cl8 Cu12 N36 O64 -","- C48 H36 Cl8 Cu12 N36 O64 -","- C96 H72 Cl16 Cu24 N72 O128 -","2","0.166667","","Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso","Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks","RSC Advances","2019","9","50","29357","","10.1039/C9RA05922A","","","0.71073","MoKα","","0.1125","0.0798","","","0.2308","0.2547","","","","","","1.041","","","","has coordinates","218413","2020-10-21","18:00:00",""
"7233923","35.294","0.003","20.8571","0.0017","23.37","0.003","90","","98.149","0.005","90","","17030","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H113 Cl13 Cu14 N42 O95 -","- C56 H45 Cl13 Cu14 N42 O95 -","- C224 H180 Cl52 Cu56 N168 O380 -","4","0.5","","Ferrer, Sacramento; Hernández-Gil, Javier; Valverde-Muñoz, Francisco Javier; Lloret, Francisco; Castiñeiras, Alfonso","Hexanuclear Cu3O‒3Cu triazole-based units as novel core motifs for high nuclearity copper(ii) frameworks","RSC Advances","2019","9","50","29357","","10.1039/C9RA05922A","","","0.71073","MoKα","","0.1768","0.1198","","","0.2663","0.2873","","","","","","1.096","","","","has coordinates","218413","2020-10-21","18:00:00",""
"7233924","18.8646","0.0007","5.4019","0.0002","20.0357","0.0006","90","","90.614","0.003","90","","2041.61","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N6 O -","- C20 H28 N6 O -","- C80 H112 N24 O4 -","4","1","","Srinivasarao, Singireddi; Nandikolla, Adinarayana; Nizalapur, Shashidhar; Yu, Tsz Tin; Pulya, Sravani; Ghosh, Balaram; Murugesan, Sankaranarayanan; Kumar, Naresh; Chandra Sekhar, Kondapalli Venkata Gowri","Design, synthesis and biological evaluation of 1,2,3-triazole based 2-aminobenzimidazoles as novel inhibitors of LasR dependent quorum sensing in Pseudomonas aeruginosa","RSC Advances","2019","9","50","29273","","10.1039/C9RA05059K","","x-ray","1.54184","CuKα","","0.0834","0.0671","","","0.1867","0.2036","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233985","10.2","0.0009","18.4716","0.0017","7.3285","0.0007","90","","96.769","0.003","90","","1371.1","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Br N3 -","- C12 H18 Br N3 -","- C48 H72 Br4 N12 -","4","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0467","0.0404","","","0.1063","0.1102","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233986","6.4588","0.0012","8.1981","0.0017","8.3521","0.0017","106.039","0.01","95.947","0.011","92.951","0.01","421.25","0.15","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0582","0.0428","","","0.1005","0.1109","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233987","9.7552","0.0007","9.5594","0.0008","12.4421","0.001","90","","91.316","0.002","90","","1159.97","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C56 H36 F12 N8 -","4","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0594","0.0553","","","0.1425","0.1469","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233988","18.11","0.003","10.9556","0.0018","17.217","0.003","90","","109.622","0.005","90","","3217.6","0.9","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Br N3 O -","- C15 H20 Br N3 O -","- C120 H160 Br8 N24 O8 -","8","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0573","0.0387","","","0.0972","0.1101","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233989","22.62","0.005","3.966","0.0008","12.201","0.003","90","","90","","90","","1094.6","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0338","0.0266","","","0.0656","0.0693","","","","","","0.957","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233990","8.4862","0.0009","10.3569","0.0012","10.6667","0.0012","117.555","0.003","93.859","0.004","95.336","0.004","821.07","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 F N3 O -","- C15 H18 Cl2 F N3 O -","- C30 H36 Cl4 F2 N6 O2 -","2","1","","Sivappa, Rasapalli; Sammeta, Vamshikrishna Reddy; Huang, Yanchang; Golen, James A.; Savinov, Sergey N.","Facile synthesis of 3-substituted imidazo[1,2-a]pyridines through formimidamide chemistry","RSC Advances","2019","9","51","29659","","10.1039/C9RA05841A","","","0.71073","MoKα","","0.0446","0.0384","","","0.1006","0.1076","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233991","6.9895","0.0002","8.6676","0.0003","13.6291","0.0005","76.606","0.002","81.336","0.002","79.948","0.002","785.64","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N3 O0 -","- C18 H20 Cl N3 -","- C36 H40 Cl2 N6 -","2","1","","Zhang, Yan; Wang, Yunyun; Zhao, Yuxun; Gu, Wen; Zhu, Yongqiang; Wang, Shifa","Novel camphor-based pyrimidine derivatives induced cancer cell death through a ROS-mediated mitochondrial apoptosis pathway","RSC Advances","2019","9","51","29711","","10.1039/C9RA05900H","","","0.71073","MoKα","","0.1118","0.0679","","","0.1356","0.1543","","","","","","1.013","","","","has coordinates","218570","2020-10-21","18:00:00",""
"7233992","14.455","0.0004","14.4844","0.0006","14.9892","0.0004","90","","95.182","0.003","90","","3125.49","0.18","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrakis(betaine)bis(bis(trifluoromethane)sulfonimide)dicuprate(II) bis(trifluoromethane)sulfonimide","","- C28 H44 Cu2 F24 N8 O24 S8 -","- C28 H44 Cu2 F24 N8 O24 S8 -","- C56 H88 Cu4 F48 N16 O48 S16 -","2","0.5","","Richter, Janine; Ruck, Michael","Dissolution of metal oxides in task-specific ionic liquid","RSC Advances","2019","9","51","29699","","10.1039/C9RA06423K","","x-ray","1.54184","CuKα","","0.0661","0.0491","","","0.1166","0.1289","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234033","13.9525","0.0007","6.0895","0.0003","21.6915","0.001","90","","105.412","0.005","90","","1776.72","0.16","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Srivastava, Suman; Thakur, Neha; Singh, Ashutosh; Shukla, Poonam; Maikhuri, Vipin Kumar; Garg, Neha; Prasad, Ashok; Pandey, Rampal","Development of a fused imidazo[1,2-a]pyridine based fluorescent probe for Fe3+ and Hg2+ in aqueous media and HeLa cells","RSC Advances","2019","9","51","29856","","10.1039/C9RA04743C","","x-ray","1.54184","CuKα","","0.052335","0.044024","","","","0.126982","","","","","","1.01017","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234034","10.205","0.003","27.207","0.007","11.915","0.003","90","","95.979","0.004","90","","3290.2","1.5","293","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd N4 O10 -","- C34 H30 Cd N4 O10 -","- C136 H120 Cd4 N16 O40 -","4","1","","Li, Caiping; Lu, Lu; Wang, Jun; Yang, Qianqian; Ma, Deyun; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Temperature tuned syntheses of two new d10-based Cd(ii) cluster metal‒organic frameworks: luminescence sensing and photocatalytic properties","RSC Advances","2019","9","51","29864","","10.1039/C9RA05167H","","","0.71073","MoKα","","0.0718","0.0492","","","0.1262","0.1507","","","","","","1.047","","","","has coordinates","218660","2020-10-21","18:00:00",""
"7234035","9.8116","0.0009","12.684","0.0012","13.3634","0.0013","94.724","0.003","95.303","0.003","98.275","0.003","1631","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd N4 O10 -","- C34 H30 Cd N4 O10 -","- C68 H60 Cd2 N8 O20 -","2","1","","Li, Caiping; Lu, Lu; Wang, Jun; Yang, Qianqian; Ma, Deyun; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd.","Temperature tuned syntheses of two new d10-based Cd(ii) cluster metal‒organic frameworks: luminescence sensing and photocatalytic properties","RSC Advances","2019","9","51","29864","","10.1039/C9RA05167H","","","0.71073","MoKα","","0.0925","0.0487","","","0.0715","0.0821","","","","","","1.016","","","","has coordinates","218660","2020-10-21","18:00:00",""
"7234158","15.5906","0.00016","5.83233","0.00005","19.3142","0.0002","90","","112.98","0.0013","90","","1616.86","0.03","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54187","CuKα","","0.0421","0.0411","","","0.1111","0.1119","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234159","14.2983","0.00009","10.412","0.00006","18.6634","0.00011","90","","105.069","0.0006","90","","2682.95","0.03","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O8 -","- C28 H33 N O8 -","- C112 H132 N4 O32 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54187","CuKα","","0.0439","0.0437","","","0.1118","0.112","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234160","6.24701","0.00005","17.7899","0.00014","20.2686","0.00016","90","","90","","90","","2252.52","0.03","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54184","CuKα","","0.0459","0.0454","","","0.1325","0.1331","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234161","10.3313","0.0002","10.2519","0.0002","26.4465","0.0006","90","","98.891","0.002","90","","2767.44","0.1","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N O8 -","- C28 H33 N O8 -","- C112 H132 N4 O32 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54187","CuKα","","0.0714","0.0691","","","0.2011","0.2038","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234162","8.41466","0.00006","22.4287","0.00013","11.3844","0.00009","90","","107.707","0.0008","90","","2046.79","0.03","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O5 -","- C12 H19 N O5 -","- C72 H114 N6 O30 -","6","3","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54184","CuKα","","0.0273","0.0272","","","0.0749","0.0749","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234163","18.9061","0.0006","11.4711","0.0004","8.7831","0.0003","90","","99.134","0.003","90","","1880.67","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-N,10-N-bis(2-fluorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.0985","0.0544","","","0.1313","0.1617","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234164","6.4738","0.0003","10.2056","0.0009","12.4931","0.001","75.029","0.007","80.67","0.006","88.09","0.006","786.81","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","11-(2-fluorophenyl)-2,3,5,6-tetraoxa-11-azaspiro[bicyclo[5.3.1]undecane-4,1'-cyclohexane]","","- C17 H22 F N O4 -","- C17 H22 F N O4 -","- C34 H44 F2 N2 O8 -","2","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.0764","0.0503","","","0.1115","0.1303","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234165","10.5362","0.0009","9.4705","0.0006","20.3165","0.0017","90","","99.462","0.008","90","","1999.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-N,10-N-bis(4-chlorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1027","0.0608","","","0.1582","0.1916","","","","","","0.987","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234166","6.5986","0.0006","9.8591","0.0008","29.604","0.002","90","","90","","90","","1925.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7,8,11-trioxaspiro[5.6]dodecane-9,10-diol","","- C8 H14 O6 -","- C8 H14 O6 -","- C64 H112 O48 -","8","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1975","0.0921","","","0.2133","0.2743","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234167","10.664","0.0006","9.4362","0.0006","20.7558","0.0011","90","","97.997","0.005","90","","2068.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-N,10-N-bis(4-bromophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 Br2 N2 O4 -","- C20 H22 Br2 N2 O4 -","- C80 H88 Br8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1914","0.0749","","","0.1295","0.1777","","","","","","0.986","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234168","12.9687","0.0013","10.0294","0.0008","14.5182","0.0015","90","","100.068","0.01","90","","1859.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-N,10-N-bis(4-fluorophenyl)-7,8,11,12-tetraoxaspiro[5.6]dodecane-9,10-diamine","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C80 H88 F8 N8 O16 -","4","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1517","0.0825","","","0.2015","0.2375","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234169","22.2869","0.0017","16.8565","0.0015","22.8736","0.0019","90","","114.56","0.004","90","","7815.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F18 Gd N2 O8 -","- C32 H22 F18 Gd N2 O8 -","- C256 H176 F144 Gd8 N16 O64 -","8","2","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.1002","0.0731","","","0.1559","0.1729","","","","","","1.064","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234170","12.7544","0.0008","14.3568","0.001","19.1732","0.0012","73.103","0.003","88.416","0.003","68.899","0.003","3122.4","0.4","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H41 F18 N4 O14 Y -","- C49 H41 F18 N4 O14 Y -","- C98 H82 F36 N8 O28 Y2 -","2","1","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.1288","0.1023","","","0.2244","0.2411","","","","","","1.095","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234171","22.297","0.0009","16.8233","0.0006","22.8137","0.0008","90","","114.398","0.002","90","","7793.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Dy F18 N2 O8 -","- C32 H22 Dy F18 N2 O8 -","- C256 H176 Dy8 F144 N16 O64 -","8","2","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.075","0.0453","","","0.0935","0.1104","","","","","","1.079","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234172","22.5914","0.001","17.0984","0.0006","22.9681","0.001","90","","114.802","0.002","90","","8053.7","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F18 N2 O8 Tb -","- C32 H22 F18 N2 O8 Tb -","- C256 H176 F144 N16 O64 Tb8 -","8","2","","Sarmiento, Charlie V.; Araujo, Thamyres A.; Reis, Samira G.; de Souza, Mateus S.; Allão Cassaro, Rafael A.; Novak, Miguel A.; Vaz, Maria G. F.","Lanthanide chains containing the naphthalenyl nitronyl nitroxide radical","RSC Advances","2019","9","52","30302","","10.1039/C9RA06506G","","","0.71073","MoKα","","0.0871","0.0595","","","0.1234","0.1409","","","","","","1.207","","","","has coordinates,has disorder","218856","2020-10-21","18:00:00",""
"7234173","7.9212","0.0003","9.5348","0.0003","14.0962","0.0005","88.056","0.001","89.137","0.001","84.091","0.001","1058.31","0.06","170","2","170.01","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N4 S -","- C27 H18 N4 S -","- C54 H36 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0638","0.0466","","","0.1206","0.1342","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234174","8.5519","0.0007","10.6954","0.0008","12.9906","0.0011","87.54","0.007","74.165","0.007","76.42","0.007","1110.87","0.16","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N4 S -","- C28 H20 N4 S -","- C56 H40 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0737","0.0481","","","0.1061","0.1262","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234175","13.5139","0.0003","15.485","0.0004","15.7111","0.0003","90","","110.006","0.001","90","","3089.35","0.12","170","2","169.97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 N4 S -","- C33 H29 Cl3 N4 S -","- C132 H116 Cl12 N16 S4 -","4","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0527","0.0441","","","0.1082","0.1151","","","","","","1.038","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234176","8.6242","0.0002","13.3809","0.0003","11.9133","0.0003","90","","108.743","0.001","90","","1301.88","0.05","170","2","169.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H28 N4 S -","- C32 H28 N4 S -","- C64 H56 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0364","0.0317","","","0.0796","0.0821","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234177","7.7139","0.0003","11.3447","0.0004","16.7455","0.0007","100.235","0.001","91.83","0.001","94.809","0.001","1435.39","0.1","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N4 S -","- C34 H32 N4 S -","- C68 H64 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.1061","0.0965","","","0.2637","0.2721","","","","","","1.063","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234178","9.8655","0.0004","10.2689","0.0004","12.5214","0.0005","87.488","0.001","70.801","0.001","83.51","0.001","1190.26","0.08","170","2","169.99","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 N4 S -","- C32 H20 N4 S -","- C64 H40 N8 S2 -","2","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.0378","0.0344","","","0.0887","0.0916","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234179","11.5486","0.0012","8.0467","0.0007","31.393","0.004","90","","93.842","0.004","90","","2910.7","0.5","273","2","272.76","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N4 S -","- C34 H32 N4 S -","- C136 H128 N16 S4 -","4","1","","Jiang, Hao; Liu, Xiao-Jing; Jia, Ran-Rong; Xu, Tian-Hui; Xia, Min","Side chain effects on the solid-state emission behaviours and mechano-fluorochromic activities of 10H-phenothiazinylbenzo[d]imidazoles","RSC Advances","2019","9","52","30381","","10.1039/C9RA05255K","","","0.71073","MoKα","","0.1493","0.1046","","","0.3239","0.3696","","","","","","1.278","","","","has coordinates,has disorder","218864","2020-10-21","18:00:00",""
"7234201","18.4877","0.0004","12.195","0.0003","18.7238","0.0005","90","","91.773","0.002","90","","4219.4","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5-(rac-4-[2.2]paracyclophanyl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II)","(5-(4-(1,4(1,4)-dibenzenacyclohexaphane-1^2^-yl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II)","","- C60 H42 Cu N4 -","- C60 H42 Cu N4 -","- C240 H168 Cu4 N16 -","4","1","","Knoll, Daniel M.; Wiesner, Thomas B.; Marschner, Stefan M.; Hassan, Zahid; Weis, Patrick; Kappes, Manfred; Nieger, Martin; Bräse, Stefan","Synthesis and characterization of rigid [2.2]paracyclophane‒porphyrin conjugates as scaffolds for fixed-distance bimetallic complexes","RSC Advances","2019","9","52","30541","","10.1039/C9RA07055A","","","1.54178","CuKα","","0.0925","0.0646","","","0.1559","0.1715","","","","","","1.065","","","","has coordinates,has disorder","218883","2020-10-21","18:00:00",""
"7234279","11.351","0.014","7.944","0.009","10.95","0.013","90","","104.676","0.018","90","","955","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F3 N2 -","- C10 H7 F3 N2 -","- C40 H28 F12 N8 -","4","1","","Lu, Jiaqing; Man, Yuning; Zhang, Yabin; Lin, Bo; Lin, Qi; Weng, Zhiqiang","Copper-catalyzed chemoselective synthesis of 4-trifluoromethyl pyrazoles","RSC Advances","2019","9","53","30952","","10.1039/C9RA07694H","","","0.71073","MoKα","","0.1355","0.1115","","","0.2577","0.2952","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234317","9.5941","0.0013","9.5941","0.0013","20.329","0.003","90","","90","","90","","1871.2","0.5","296","2","296.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C10 H18 Co2 N4 O14 S -","- C10 H18 Co2 N4 O14 S -","- C40 H72 Co8 N16 O56 S4 -","4","0.5","","Zhang, Jie; Zhao, Qian-Nan; Yang, Feng; Yin, Lei; Li, Miao-Miao; Wang, Zhenxing; Ouyang, Zhongwen; Xia, Zheng-Cai; Hu, Tuo-Ping","A cobalt(ii) chain based on pymca generated in situ from the hydrolysis of 2-cyanopyrimidine: spin canting and magnetic relaxation","RSC Advances","2019","9","53","31115","","10.1039/C9RA05354A","","","0.71073","MoKα","","0.0619","0.0557","","","0.1181","0.1205","","","","","","1.194","","","","has coordinates","219055","2020-10-21","18:00:00",""
"7234318","7.5428","0.0007","11.256","0.001","11.976","0.001","112.238","0.008","96.414","0.007","94.215","0.007","927.83","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N11 O13 Y -","- C4 H16 N11 O13 Y -","- C8 H32 N22 O26 Y2 -","2","1","","Koslowski, Nico; Hoffmann, Rudolf C.; Trouillet, Vanessa; Bruns, Michael; Foro, Sabine; Schneider, Jörg J.","Synthesis, oxide formation, properties and thin film transistor properties of yttrium and aluminium oxide thin films employing a molecular-based precursor route","RSC Advances","2019","9","54","31386","","10.1039/C9RA05348D","","","0.71073","MoKα","","0.0335","0.0271","","","0.0681","0.0695","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234396","12.3302","0.0014","7.9001","0.0009","18.63","0.002","90","","96.052","0.007","90","","1804.6","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 Br3 N O -","- C19 H12 Br3 N O -","- C76 H48 Br12 N4 O4 -","4","2","","Wada, Yuuki; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Enantioselective bromination of axially chiral cyanoarenes in the presence of bifunctional organocatalysts","RSC Advances","2019","9","54","31654","","10.1039/C9RA05532K","","","0.71075","MoKα","","","0.0552","","","","0.1047","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234443","7.848","0.003","7.886","0.003","10.88","0.005","90.97","0.03","93.6","0.03","114.95","0.03","608.6","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Co N2 O9 P2 -","- C7 H14 Co N2 O9 P2 -","- C14 H28 Co2 N4 O18 P4 -","2","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Low pH constructed Co(ii) and Ni(ii) 1D coordination polymers based on Cα-substituted analogues of zoledronic acid: structural characterization, and spectroscopic and magnetic properties","RSC Advances","2019","9","54","31497","","10.1039/C9RA05673D","","","0.71073","MoKα","","0.0499","0.0325","","","0.0618","0.0639","","","","","","0.925","","","","has coordinates","219150","2020-10-21","18:00:00",""
"7234444","7.816","0.003","7.849","0.003","10.849","0.004","91.03","0.03","93.26","0.03","114.92","0.03","602","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 N2 Ni O9 P2 -","- C7 H14 N2 Ni O9 P2 -","- C14 H28 N4 Ni2 O18 P4 -","2","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Low pH constructed Co(ii) and Ni(ii) 1D coordination polymers based on Cα-substituted analogues of zoledronic acid: structural characterization, and spectroscopic and magnetic properties","RSC Advances","2019","9","54","31497","","10.1039/C9RA05673D","","","0.71073","MoKα","","0.1023","0.0421","","","0.0552","0.0603","","","","","","0.696","","","","has coordinates","219150","2020-10-21","18:00:00",""
"7234445","13.666","0.004","8.447","0.002","22.247","0.005","90","","94.45","0.03","90","","2560.4","1.1","80","2","80","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Co N2 O9 P2 -","- C8 H16 Co N2 O9 P2 -","- C64 H128 Co8 N16 O72 P16 -","8","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","Low pH constructed Co(ii) and Ni(ii) 1D coordination polymers based on Cα-substituted analogues of zoledronic acid: structural characterization, and spectroscopic and magnetic properties","RSC Advances","2019","9","54","31497","","10.1039/C9RA05673D","","","0.71073","MoKα","","0.0419","0.0315","","","0.0708","0.075","","","","","","1.038","","","","has coordinates","219150","2020-10-21","18:00:00",""
"7234446","9.056","0.003","9.43","0.003","9.605","0.003","114.954","0.005","97.79","0.005","90.883","0.006","734.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 N2 Ni3 O24 P4 -","- C12 H44 N2 Ni3 O24 P4 -","- C12 H44 N2 Ni3 O24 P4 -","1","0.5","","Su, Yan-Hui; Jia, Jia-Ge; Huang, Xin-Da; Feng, Jian-Shen; Bao, Song-Song; Ren, Min; Kurmoo, Mohamedally; Zheng, Li-Min","Changes in magnetic order through two consecutive dehydration steps of metal-phosphonate diamond chains","RSC Advances","2019","9","55","31911","","10.1039/C9RA05722F","","","0.71073","MoKα","","0.0767","0.0561","","","0.1141","0.1226","","","","","","1.001","","","","has coordinates","219151","2020-10-21","18:00:00",""
"7234447","9.064","0.004","9.536","0.004","9.686","0.004","114.883","0.006","97.803","0.007","90.634","0.006","750.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Co3 N2 O24 P4 -","- C12 H44 Co3 N2 O24 P4 -","- C12 H44 Co3 N2 O24 P4 -","1","0.5","","Su, Yan-Hui; Jia, Jia-Ge; Huang, Xin-Da; Feng, Jian-Shen; Bao, Song-Song; Ren, Min; Kurmoo, Mohamedally; Zheng, Li-Min","Changes in magnetic order through two consecutive dehydration steps of metal-phosphonate diamond chains","RSC Advances","2019","9","55","31911","","10.1039/C9RA05722F","","","0.71073","MoKα","","0.0398","0.0374","","","0.1188","0.1223","","","","","","1.005","","","","has coordinates","219151","2020-10-21","18:00:00",""
"7234448","9.7436","0.0013","13.0705","0.0017","17.656","0.002","90","","93.454","0.004","90","","2244.5","0.5","100","2","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 N4 O Pt S -","- C22 H22 Cl2 N4 O Pt S -","- C88 H88 Cl8 N16 O4 Pt4 S4 -","4","1","","Bellam, Rajesh; Jaganyi, Deogratius; Mambanda, Allen; Robinson, Ross; BalaKumaran, Manickam Dakshinamoorthi","Seven membered chelate Pt(ii) complexes with 2,3-di(2-pyridyl)quinoxaline ligands: studies of substitution kinetics by sulfur donor nucleophiles, interactions with CT-DNA, BSA and in vitro cytotoxicity activities","RSC Advances","2019","9","55","31877","","10.1039/C9RA06488E","","x-ray","0.71073","MoKα","","0.0172","0.0154","","","0.0337","0.0343","","","","","","1.037","","","","has coordinates","219152","2020-10-21","18:00:00",""
"7234536","10.0307","0.0003","14.0336","0.0005","12.5626","0.0004","90","","100.105","0.001","90","","1740.97","0.1","123","2","123","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C78 H86 Cl4 O16 -","- C78 H86 Cl4 O16 -","- C78 H86 Cl4 O16 -","1","0.25","","Bauer, David; Blumberg, Markus; Köckerling, Martin; Mamat, Constantin","A comparative evaluation of calix[4]arene-1,3-crown-6 as a ligand for selected divalent cations of radiopharmaceutical interest","RSC Advances","2019","9","55","32357","","10.1039/C9RA07293D","","","0.71073","MoKα","","0.0679","0.0459","","","0.1102","0.125","","","","","","1.026","","","","has coordinates,has disorder","219268","2020-10-21","18:00:00",""
"7234537","5.693","0.002","3.2498","0.0011","9.41","0.003","90","","100.317","0.007","90","","171.28","0.1","298","2","298","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- K0.36 S2 W -","- K0.36 S2 W -","- K0.72 S4 W2 -","2","0.5","","Mao, Yuanlv; Xie, Miao; Zhao, Wei; Yuan, Kaidi; Fang, Yuqiang; Huang, Fuqiang","K0.36(H2O)yWS2: a new layered compound for reversible hydrated potassium ion intercalation in aqueous electrolyte","RSC Advances","2019","9","55","32323","","10.1039/C9RA07718A","","","0.71073","MoKα","","0.0317","0.0308","","","0.0807","0.0811","","","","","","1.118","","","","has coordinates,has disorder","219269","2020-10-21","18:00:00",""
"7234538","27.1659","0.0011","27.1659","0.0011","7.652","0.0004","90","","90","","120","","4890.5","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","2","","- C63 H63 Dy O27 -","- C63 H63 Dy O27 -","- C189 H189 Dy3 O81 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.7","synchrotron","","0.0428","0.0425","","","0.1037","0.1042","","","","","","1.084","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234539","27.1871","0.0007","27.1871","0.0007","7.6178","0.0004","90","","90","","120","","4876.3","0.3","300","2","300","2","","","","","","","","4","R 3 :H","R 3","146","","1","","- C63 H63 O27 Tb -","- C63 H63 O27 Tb -","- C189 H189 O81 Tb3 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.71073","MoKα","","0.0384","0.0383","","","0.0934","0.0935","","","","","","0.984","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234540","27.0729","0.0011","27.0729","0.0011","7.637","0.0004","90","","90","","120","","4847.6","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","3","","- C63 H63 Ho O27 -","- C63 H63 Ho O27 -","- C189 H189 Ho3 O81 -","3","0.333333","","Han, Mei-rong; Zhang, Han-tao; Wang, Jia-nan; Feng, Si-si; Lu, Li-ping","Three chiral one-dimensional lanthanide‒ditoluoyl-tartrate bifunctional polymers exhibiting luminescence and magnetic behaviors","RSC Advances","2019","9","55","32288","","10.1039/C9RA06920H","","","0.72","synchrotron","","0.0615","0.0615","","","0.1504","0.1504","","","","","","1.128","","","","has coordinates","219270","2020-10-21","18:00:00",""
"7234571","5.4879","0.0005","9.4465","0.0018","29.547","0.002","91.818","0.01","92.824","0.007","100.708","0.011","1502","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H29 N O -","- C42 H29 N O -","- C84 H58 N2 O2 -","2","1","","Chen, Yali; Huang, Zengfang; Liu, Xiaobo; Mao, Liucheng; Yuan, Jinying; Zhang, Xiaoyong; Tao, Lei; Wei, Yen","A novel AIE-active dye for fluorescent nanoparticles by one-pot combination of Hantzsch reaction and RAFT polymerization: synthesis, molecular structure and application in cell imaging","RSC Advances","2019","9","56","32601","","10.1039/C9RA06452D","","x-ray","0.71073","MoKα","","0.1388","0.0878","","","0.2189","0.2347","","","","","","1.17","","","","has coordinates,has disorder","219312","2020-10-21","18:00:00",""
"7234616","13.188","0.004","10.266","0.004","26.26","0.016","90","","93","0.03","90","","3550","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 N3 Si2 Zn -","- C33 H51 N3 Si2 Zn -","- C132 H204 N12 Si8 Zn4 -","4","1","","D'Auria, Ilaria; D'Alterio, Massimo Christian; Tedesco, Consiglia; Pellecchia, Claudio","Tailor-made block copolymers of l-, d- and rac-lactides and ε-caprolactone via one-pot sequential ring opening polymerization by pyridylamidozinc(ii) catalysts","RSC Advances","2019","9","56","32771","","10.1039/C9RA07133D","","","1.54178","CuKα","","0.0418","0.0361","","","0.0945","0.0989","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234617","8.671","0.004","8.736","0.003","19.457","0.01","78.79","0.03","84.49","0.04","67.01","0.03","1330.6","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 Zn -","- C28 H36 N2 Zn -","- C56 H72 N4 Zn2 -","2","1","","D'Auria, Ilaria; D'Alterio, Massimo Christian; Tedesco, Consiglia; Pellecchia, Claudio","Tailor-made block copolymers of l-, d- and rac-lactides and ε-caprolactone via one-pot sequential ring opening polymerization by pyridylamidozinc(ii) catalysts","RSC Advances","2019","9","56","32771","","10.1039/C9RA07133D","","","0.71073","MoKα","","0.3627","0.1157","","","0.2698","0.4085","","","","","","0.994","","","","has coordinates","219353","2020-10-21","18:00:00",""
"7234695","9.674","0.0006","10.0787","0.0006","11.7148","0.0007","96.88","0.001","92.322","0.001","114.91","0.001","1023.23","0.11","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd2 N4 O16 -","- C40 H36 Cd2 N4 O16 -","- C40 H36 Cd2 N4 O16 -","1","0.5","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0374","0.0336","","","0.0927","0.1089","","","","","","1.177","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234696","10.5787","0.001","16.396","0.0016","14.3239","0.0013","90","","110.304","0.002","90","","2330.1","0.4","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cd N3 O9 -","- C23 H22 Cd N3 O9 -","- C92 H88 Cd4 N12 O36 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0546","0.0515","","","0.1589","0.1644","","","","","","1.082","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234697","10.624","0.009","16.457","0.013","14.415","0.011","90","","110.51","0.019","90","","2361","3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cd N3 O9 -","- C23 H22 Cd N3 O9 -","- C92 H88 Cd4 N12 O36 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0597","0.0552","","","0.1662","0.1755","","","","","","1.075","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234698","10.624","0.009","16.457","0.013","14.415","0.011","90","","110.51","0.019","90","","2361","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H24.5 Cd N2.5 O10 -","- C21.5 H24.5 Cd N2.5 O10 -","- C86 H98 Cd4 N10 O40 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0268","0.0252","","","0.0633","0.0643","","","","","","1.116","","","","has coordinates,has disorder","219411","2020-10-21","18:00:00",""
"7234699","7.4557","0.0005","19.1019","0.0013","15.6785","0.001","90","","93.186","0.002","90","","2229.4","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Liu, Jinjian; Li, Jing; Lu, Wenbo","Photochromic properties of three 2D MOFs based on 1-carboxyethyl-4,4′-bipyridinine","RSC Advances","2019","9","57","33155","","10.1039/C9RA06703E","","","0.71073","MoKα","","0.0578","0.0525","","","0.1735","0.1797","","","","","","1.086","","","","has coordinates","219411","2020-10-21","18:00:00",""
"7234700","7.403","0.003","17.584","0.006","18.374","0.006","76.445","0.011","79.816","0.012","79.751","0.012","2265.2","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N4 O2 -","- C30 H22 N4 O2 -","- C120 H88 N16 O8 -","4","2","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.131","0.0828","","","0.2037","0.2413","","","","","","1.126","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234701","9.382","0.006","18.747","0.012","17.729","0.011","90","","97.799","0.007","90","","3089","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 N10 O4 -","- C80 H56 N10 O4 -","- C160 H112 N20 O8 -","2","0.5","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.1491","0.0596","","","0.1247","0.1662","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234702","9.7943","0.001","12.0978","0.0012","13.8839","0.0014","89.39","0.003","78.85","0.003","72.021","0.003","1533.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 N10 O10 -","- C72 H60 N10 O10 -","- C72 H60 N10 O10 -","1","0.5","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.0956","0.0631","","","0.1966","0.2352","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234703","14.2921","0.0009","11.4224","0.0007","14.482","0.001","90","","102.49","0.006","90","","2308.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N2 O -","- C15 H11 N2 O -","- C120 H88 N16 O8 -","8","1","","Brahma, Rinki; Singh, Munendra Pal; Baruah, Jubaraj B.","Stacking among the clips of the poly-aromatic rings of phenazine with hydroxy-aromatics and photophysical properties","RSC Advances","2019","9","57","33403","","10.1039/C9RA07602F","","","0.71073","MoKα","","0.0732","0.0503","","","0.1201","0.138","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234735","32.915","0.004","16.124","0.002","34.303","0.004","90","","91.696","0.004","90","","18197","4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H41 Cu2 N O14 -","- C52 H41 Cu2 N O14 -","- C416 H328 Cu16 N8 O112 -","8","1","","Xiang, Rui-Qi; Niu, Yan-Fei; Han, Jie; Lau, Yat-Long; Wu, Hai-Hong; Zhao, Xiao-Li","A neutral Cu-based MOF for effective quercetin extraction and conversion from natural onion juice","RSC Advances","2019","9","58","33716","","10.1039/C9RA04551A","","","1.34139","GaKα","","0.2121","0.0928","","","0.2177","0.2798","","","","","","0.857","","","","has coordinates","219451","2020-10-21","18:00:00",""
"7234736","26.93","0.003","12.9179","0.0018","12.95","0.0014","90","","107.491","0.003","90","","4296.7","0.9","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C208 H168 Cl8 N16 O16 -","8","1","","Fawzy, Nehmedo G.; Panda, Siva S.; Fayad, Walid; Shalaby, ElSayed M.; Srour, Aladdin M.; Girgis, Adel S.","Synthesis, human topoisomerase IIα inhibitory properties and molecular modeling studies of anti-proliferative curcumin mimics","RSC Advances","2019","9","58","33761","","10.1039/C9RA05661K","","","0.71073","MoKα","","0.0787","0.0386","","0.1038","0.0771","0.0771","","","","","","0.9493","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234737","14.374","0.003","8.059","0.0016","18.554","0.004","90","","96.61","0.03","90","","2135","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 F2 N2 O2 -","- C26 H20 F2 N2 O2 -","- C104 H80 F8 N8 O8 -","4","1","","Fawzy, Nehmedo G.; Panda, Siva S.; Fayad, Walid; Shalaby, ElSayed M.; Srour, Aladdin M.; Girgis, Adel S.","Synthesis, human topoisomerase IIα inhibitory properties and molecular modeling studies of anti-proliferative curcumin mimics","RSC Advances","2019","9","58","33761","","10.1039/C9RA05661K","","","0.7","MoKα","","0.0763","0.0636","","0.1841","0.1772","0.1772","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234748","10.353","0.004","12.285","0.006","14.373","0.005","101.162","0.012","107.318","0.01","107.004","0.013","1588.1","1.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 Co2 N8 O13 -","- C76 H62 Co2 N8 O13 -","- C76 H62 Co2 N8 O13 -","1","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0439","0.0334","","","0.0824","0.0876","","","","","","1.027","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234749","10.336","0.008","12.301","0.01","14.368","0.011","101.18","0.02","107.255","0.019","107.055","0.019","1587","2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Co2 N8 O14 -","- C76 H60 Co2 N8 O14 -","- C76 H60 Co2 N8 O14 -","1","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0668","0.0464","","","0.1194","0.1306","","","","","","1.064","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234750","13.407","0.006","12.528","0.004","15.55","0.01","90","","114.216","0.019","90","","2382","2","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 Co N4 O10 -","- C56 H40 Co N4 O10 -","- C112 H80 Co2 N8 O20 -","2","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0773","0.0443","","","0.0968","0.1099","","","","","","1.041","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234751","14.1122","0.0009","27.0471","0.0018","9.1595","0.0007","90","","108.227","0.002","90","","3320.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 Co N10 O8 -","- C80 H56 Co N10 O8 -","- C160 H112 Co2 N20 O16 -","2","0.5","","Han, Defang; Huang, Kun; Li, Xianglin; Peng, Mengni; Jing, Linhai; Yu, Baoyi; Chen, Zeqin; Qin, Dabin","Temperature-induced structural diversity of metal‒organic frameworks and their applications in selective sensing of nitrobenzene and electrocatalyzing the oxygen evolution reaction","RSC Advances","2019","9","58","33890","","10.1039/C9RA07031A","","","0.71073","MoKα","","0.0644","0.0422","","","0.0937","0.1035","","","","","","1.029","","","","has coordinates","219461","2020-10-21","18:00:00",""
"7234759","6.6564","0.0002","10.3704","0.0003","17.9622","0.0006","90","","90","","90","","1239.92","0.07","150","2","150","2","","","","","","","Fomitopsis pinicola","3","P 21 21 21","P 2ac 2ab","19","","Fomitopin-A","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Tai, Shih-Huang; Kuo, Ping-Chung; Hung, Ching-Che; Lin, Ying-Hsuan; Hwang, Tsong-Long; Lam, Sio Hong; Kuo, Daih-Huang; Wu, Jin-Bin; Hung, Hsin-Yi; Wu, Tian-Shung","Bioassay-guided purification of sesquiterpenoids from the fruiting bodies of Fomitopsis pinicola and their anti-inflammatory activity","RSC Advances","2019","9","59","34184","","10.1039/C9RA05899K","","x-ray","1.54178","CuKα","","0.0407","0.0375","","","0.0975","0.1","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234760","6.5794","0.0003","11.6584","0.0006","14.6736","0.0008","91.4149","0.0017","101.297","0.0016","104.866","0.0016","1063.45","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","x-ray","0.71073","MoKα","","0.049","0.0406","","","0.1103","0.1182","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234761","10.3776","0.0004","17.4561","0.0005","10.9103","0.0004","90","","117.674","0.0013","90","","1750.33","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","","0.71073","MoKα","","0.1025","0.0956","","","0.2513","0.257","","","","","","1.153","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234762","22.5681","0.0016","11.6407","0.0007","15.4198","0.0008","90","","91.255","0.003","90","","4049.9","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C200 H152 N24 O24 -","8","1","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","x-ray","0.71073","MoKα","","0.0602","0.0418","","","0.1004","0.1113","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234763","24.7105","0.0017","7.8341","0.0005","19.1111","0.0012","90","","111.589","0.003","90","","3440.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","2","","Hsieh, Wan-Chi; Manjappa, Kiran B.; Yang, Ding-Yah","Structural tuning enables piezochromic and photochemical properties in N-aryl-β-enaminones","RSC Advances","2019","9","58","34088","","10.1039/C9RA07598D","","x-ray","0.71073","MoKα","","0.0675","0.0503","","","0.1277","0.1413","","","","","","1.037","","","","has coordinates","219484","2020-10-21","18:00:00",""
"7234814","8.1712","0.0011","13.873","0.002","12.3934","0.0017","90","","92.098","0.006","90","","1404","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(2-Hydroxy-5-methylbenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C64 H52 N12 O16 -","4","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0744","0.0552","","","0.1534","0.1723","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234815","11.725","0.0005","13.3565","0.0006","10.1992","0.0004","90","","114.332","0.002","90","","1455.37","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(2-Hydroxy-5-ethylbenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","- C17 H15 N3 O4 -","- C17 H15 N3 O4 -","- C68 H60 N12 O16 -","4","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0588","0.0455","","","0.1235","0.1332","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234816","23.336","0.003","6.924","0.0006","17.2853","0.0018","90","","108.798","0.003","90","","2644","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-(5-Fluoro-2-hydroxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","- C15 H10 F N3 O4 -","- C15 H10 F N3 O4 -","- C120 H80 F8 N24 O32 -","8","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0533","0.0427","","","0.1151","0.1232","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234817","8.403","0.0004","9.6898","0.0004","10.911","0.0007","105.87","0.002","98.586","0.002","102.351","0.004","814.1","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-(2-Hydroxy-5-isopropylbenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H) -dione","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C36 H34 N6 O8 -","2","1","","Ashraf, Abida; Khalid, Muhammad; Tahir, Muhammad Nawaz; Yaqub, Muhammad; Naseer, Muhammad Moazzam; Kamal, Ghulam Mustafa; Saifullah, Bullo; Braga, Ataualpa Albert Carmo; Shafiq, Zahid; Rauf, Waqar","A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration","RSC Advances","2019","9","59","34567","","10.1039/C9RA05415D","","","0.71073","MoKα","","0.0656","0.0478","","","0.1379","0.1557","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234818","13.0298","0.0003","27.8366","0.0007","9.0204","0.0002","90","","109.862","0.001","90","","3077.12","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br2 Co N8 Na O4 -","- C21 H22 Br2 Co N8 Na O4 -","- C84 H88 Br8 Co4 N32 Na4 O16 -","4","1","","Ghosh, Kousik; Sil, Sayantan; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Chattopadhyay, Shouvik","Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)–Na complex with a compartmental Schiff base ligand","RSC Advances","2019","9","60","34710","","10.1039/C9RA06354D","","","0.71073","MoKα","","0.068","0.0382","","","0.0834","0.0903","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234858","12.3067","0.0003","18.4393","0.0004","21.0597","0.0005","90","","90","","90","","4779.01","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O S -","- C28 H26 N2 O S -","- C224 H208 N16 O8 S8 -","8","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Wu, Yue-Hua; Zhao, Ming-gang; Liang, Jin-Yan","Combined inorganic base promoted N-addition/[2,3]-sigmatropic rearrangement to construct homoallyl sulfur-containing pyrazolones","RSC Advances","2019","9","60","34912","","10.1039/C9RA07610G","","","0.71","MoKα","","0.0927","0.0669","","","0.186","0.206","","","","","","1.057","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234859","10.7413","0.0003","10.7413","0.0003","20.7748","0.0013","90","","90","","90","","2396.9","0.18","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 Cd0.5 N3 O -","- C12 H8 Cd0.5 N3 O -","- C96 H64 Cd4 N24 O8 -","8","1","","Wu, Yuandi; Lin, Meihua; Liu, Dongyang; Liu, Ming; Qian, Jing","Two-dimensional Cd(ii) coordination polymer encapsulated by Tb3+ as a reversible luminescent probe for Fe3+","RSC Advances","2019","9","60","34949","","10.1039/C9RA06639J","","","0.71073","MoKα","","0.0244","0.024","","","0.062","0.0623","","","","","","1.069","","","","has coordinates","220532","2020-10-21","18:00:00",""
"7234882","6.063","0.004","9.023","0.007","11.915","0.008","96.04","0.03","90.884","0.019","90.83","0.02","648","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","ethyl 5-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinoline-1-carboxylate","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C30 H28 N4 O6 -","2","1","","Ramu, Gopathi; Ambala, Srinivas; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Regioselective ring expansion followed by H-shift of 3-ylidene oxindoles: a convenient synthesis of N-substituted/un-substituted pyrrolo[2,3-c] quinolines and marinoquinolines","RSC Advances","2019","9","60","35068","","10.1039/C9RA07831B","","","0.71073","MoKα","","0.0524","0.0406","","","0.1299","0.1521","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234971","7.7955","0.0004","23.1127","0.001","9.1369","0.0004","90","","107.358","0.001","90","","1571.27","0.13","150","2","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 B F2 N2 O -","- C20 H13 B F2 N2 O -","- C80 H52 B4 F8 N8 O4 -","4","1","","Yan, Xiaojing; Zhu, Pengcheng; Zhou, Zhiguo; Yang, Hong; Lan, Haichuang; Xiao, Shuzhang","Aggregation-induced emission enhancement (AIEE)-active boron-difluoride dyes with reversible mechanochromic fluorescence","RSC Advances","2019","9","61","35872","","10.1039/C9RA07437F","","","1.54178","CuKα","","0.0477","0.0423","","","0.13","0.1368","","","","","","1.131","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234972","11.6231","0.0019","11.723","0.004","11.9007","0.0019","98.741","0.003","113.202","0.002","100.38","0.003","1420.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C H N O -","- C2.64286 H1.85714 N0.428571 -","- C74 H52 N12 -","28","14","","Gu, Yun-Qiong; Shen, Wen-Ying; Mi, Yan; Jing, Yan-Fang; Yuan, Jing-Mei; Yu, Peng; Zhu, Xiao-Min; Hu, Fei-Long","Dual-response detection of Ni2+ and Cu2+ ions by a pyrazolopyrimidine-based fluorescent sensor and the application of this sensor in bioimaging","RSC Advances","2019","9","61","35671","","10.1039/C9RA06227K","","","0.71073","MoKα","","0.0698","0.0468","","","0.1634","0.2003","","","","","","0.722","","","","has coordinates","223286","2020-10-21","18:00:00",""
"7234973","5.3792","0.0007","10.8315","0.0014","13.1574","0.0017","108.397","0.006","97.733","0.006","98.586","0.006","705.67","0.16","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br F6 O9 S2 -","- C24 H19 Br F6 O9 S2 -","- C24 H19 Br F6 O9 S2 -","1","0.5","","Clasen, Anne; Wenderoth, Sarah; Tavernaro, Isabella; Fleddermann, Jana; Kraegeloh, Annette; Jung, Gregor","Kinetic and spectroscopic responses of pH-sensitive nanoparticles: influence of the silica matrix","RSC Advances","2019","9","61","35695","","10.1039/C9RA06047B","","","0.71073","MoKα","","0.0699","0.0532","","","0.1476","0.1608","","","","","","1.055","","","","has coordinates,has disorder","223287","2020-10-21","18:00:00",""
"7234974","5.4124","0.0003","13.1343","0.0007","17.3655","0.001","87.33","0.004","87.521","0.004","83.123","0.004","1223.38","0.12","142","2","142","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H15 Br F6 O7 S2 -","- C23 H15 Br F6 O7 S2 -","- C46 H30 Br2 F12 O14 S4 -","2","1","","Clasen, Anne; Wenderoth, Sarah; Tavernaro, Isabella; Fleddermann, Jana; Kraegeloh, Annette; Jung, Gregor","Kinetic and spectroscopic responses of pH-sensitive nanoparticles: influence of the silica matrix","RSC Advances","2019","9","61","35695","","10.1039/C9RA06047B","","","0.71073","MoKα","","0.0772","0.0488","","","0.1156","0.128","","","","","","1.049","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234977","6.8424","0.0006","9.4438","0.0008","21.2231","0.0018","102.009","0.007","98.937","0.007","90.685","0.007","1323.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N4 O10 V2 -","- C24 H34 N4 O10 V2 -","- C48 H68 N8 O20 V4 -","2","1","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight","RSC Advances","2019","9","60","35165","","10.1039/C9RA07006K","","","0.71073","MoKα","","0.1002","0.0638","","","0.1281","0.1432","","","","","","0.954","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234978","10.0908","0.0009","13.733","0.001","21.1628","0.0015","90","","90","","90","","2932.7","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Br2 N4 O10 V2 -","- C24 H32 Br2 N4 O10 V2 -","- C96 H128 Br8 N16 O40 V8 -","4","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight","RSC Advances","2019","9","60","35165","","10.1039/C9RA07006K","","","0.71073","MoKα","","0.0466","0.0356","","","0.0926","0.0987","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234979","11.8375","0.0009","12.1648","0.0009","13.9559","0.001","90","","102.868","0.001","90","","1959.2","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Zhang, Meili; Zheng, Yanjin; Liu, Min; Ren, Yixia; Wang, Zhixiang; Cao, Jia; Wang, Jijiang","Two zinc(ii) coordination polymers based on flexible co-ligands featuring assembly imparted sensing abilities for Cr2O72− and o-NP","RSC Advances","2019","9","37","21086","","10.1039/C9RA03822A","","","0.71073","MoKα","","0.0609","0.0571","","","0.203","0.2071","","","","","","1.0468","","","","has coordinates","223453","2020-10-21","18:00:00",""
"7234980","12.474","0.003","13.755","0.003","12.771","0.003","90","","105.09","0.003","90","","2115.7","0.8","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N4 O5 Zn -","- C22 H20 N4 O5 Zn -","- C88 H80 N16 O20 Zn4 -","4","1","","Zhang, Meili; Zheng, Yanjin; Liu, Min; Ren, Yixia; Wang, Zhixiang; Cao, Jia; Wang, Jijiang","Two zinc(ii) coordination polymers based on flexible co-ligands featuring assembly imparted sensing abilities for Cr2O72− and o-NP","RSC Advances","2019","9","37","21086","","10.1039/C9RA03822A","","","0.71073","MoKα","","0.0513","0.0474","","","0.1516","0.157","","","","","","1.0371","","","","has coordinates","223453","2020-10-21","18:00:00",""
"7234981","17.9013","0.0003","17.9013","0.0003","42.9649","0.0008","90","","90","","90","","13768.4","0.4","93","","93","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C88 H56 Fe2 N8 O -","- C88 H56 Fe2 N8 O -","- C704 H448 Fe16 N64 O8 -","8","0.5","","Sakakibara, Erika; Shisaka, Yuma; Onoda, Hiroki; Koga, Daiki; Xu, Ning; Ono, Toshikazu; Hisaeda, Yoshio; Sugimoto, Hiroshi; Shiro, Yoshitsugu; Watanabe, Yoshihito; Shoji, Osami","Highly malleable haem-binding site of the haemoprotein HasA permits stable accommodation of bulky tetraphenylporphycenes","RSC Advances","2019","9","32","18697","","10.1039/C9RA02872B","","x-ray","0.71073","MoKα","","0.0798","0.0546","","","0.1466","0.1745","","","","","","1.082","","","","has coordinates","223454","2020-10-21","18:00:00",""
"7234982","25.8426","0.001","12.5139","0.0005","7.1398","0.0003","90","","95.895","0.001","90","","2296.74","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Cd N2 O9 -","- C26 H14 Cd N2 O9 -","- C104 H56 Cd4 N8 O36 -","4","0.5","","Wang, Ji-Jiang; Cao, Zhuang; Wang, Xiao; Tang, Long; Hou, Xiang-Yang; Ju, Ping; Ren, Yi-Xia; Chen, Xiao-Li; Zhang, Yu-Qi","A novel 3D Cd(ii) coordination polymer generated via in situ ligand synthesis involving C‒O ester bond formation","RSC Advances","2019","9","1","307","","10.1039/C8RA06112B","","","0.71073","MoKα","","0.0207","0.0201","","","0.0607","0.061","","","","","","1.08","","","","has coordinates","223455","2020-10-21","18:00:00",""
"7234983","9.5425","0.0011","9.9857","0.0012","20.978","0.002","88.645","0.002","83.015","0.002","64.759","0.002","1793.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cu2 N6 O13 -","- C36 H20 Cu2 N6 O13 -","- C72 H40 Cu4 N12 O26 -","2","1","","Wang, Ji-Jiang; Cao, Zhuang; Wang, Xiao; Tang, Long; Hou, Xiang-Yang; Ju, Ping; Ren, Yi-Xia; Chen, Xiao-Li; Zhang, Yu-Qi","A novel 3D Cd(ii) coordination polymer generated via in situ ligand synthesis involving C‒O ester bond formation","RSC Advances","2019","9","1","307","","10.1039/C8RA06112B","","","0.71073","MoKα","","0.0872","0.0541","","","0.1546","0.172","","","","","","1.049","","","","has coordinates,has disorder","223455","2020-10-21","18:00:00",""
"7234984","12.14","0.004","12.715","0.004","13.939","0.004","110.148","0.004","112.543","0.004","92.07","0.004","1830.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Cd2 N6 O14 -","- C40 H24 Cd2 N6 O14 -","- C80 H48 Cd4 N12 O28 -","2","1","","Wang, Ji-Jiang; Cao, Zhuang; Wang, Xiao; Tang, Long; Hou, Xiang-Yang; Ju, Ping; Ren, Yi-Xia; Chen, Xiao-Li; Zhang, Yu-Qi","A novel 3D Cd(ii) coordination polymer generated via in situ ligand synthesis involving C‒O ester bond formation","RSC Advances","2019","9","1","307","","10.1039/C8RA06112B","","","0.71073","MoKα","","0.0398","0.0273","","","0.0697","0.0867","","","","","","1.095","","","","has coordinates","223455","2020-10-21","18:00:00",""
"7234985","5.3825","0.0007","15.3166","0.0013","21.472","0.003","89.91","0.008","84.752","0.01","89.905","0.009","1762.8","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N S -","- C23 H21 N S -","- C92 H84 N4 S4 -","4","2","","Oswal, Preeti; Arora, Aayushi; Kaushal, Jolly; Rao, Gyandshwar Kumar; Kumar, Sushil; Singh, Ajai K.; Kumar, Arun","Ultra-small palladium nano-particles synthesized using bulky S/Se and N donor ligands as a stabilizer: application as catalysts for Suzuki–Miyaura coupling","RSC Advances","2019","9","39","22313","","10.1039/C9RA03498F","","x-ray","1.54184","CuKα","","0.1042","0.0821","","","0.2427","0.2912","","","","","","1.131","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234986","11.7682","0.0009","13.1204","0.0011","19.9515","0.0016","77.621","0.004","77.484","0.003","85.254","0.004","2935.3","0.4","298","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H58 N2 O6 -","- C76 H58 N2 O6 -","- C152 H116 N4 O12 -","2","1","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.1022","0.059","","","0.1401","0.1612","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234987","10.233","0.005","11.256","0.006","13.314","0.007","70.799","0.008","84.134","0.009","71.007","0.008","1369.4","1.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","PJ_B849_55","","- C36 H24 N2 O3 -","- C2.66667 H1.77778 N0.148148 O0.222222 -","- C72 H48 N4 O6 -","27","13.5","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.119","0.0958","","","0.3124","0.326","","","","","","1.107","","","","has coordinates","223457","2020-10-21","18:00:00",""
"7234988","9.8397","0.0015","38.561","0.006","14.122","0.002","90","","100.382","0.008","90","","5270.6","1.4","298","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 N2 O2 -","- C72 H50 N2 O2 -","- C288 H200 N8 O8 -","4","1","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.1486","0.0728","","","0.204","0.2574","","","","","","0.98","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234989","24.204","0.003","12.6309","0.0013","18.083","0.002","90","","90.124","0.007","90","","5528.3","1.1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O3 -","- C36 H24 N2 O3 -","- C288 H192 N16 O24 -","8","2","","Chatterjee, Sourav; Bhattacharjee, Pinaki; Butterfoss, Glenn L.; Achari, Anushree; Jaisankar, Parasuraman","Establishment of atropisomerism in 3-indolyl furanoids: a synthetic, experimental and theoretical perspective","RSC Advances","2019","9","39","22384","","10.1039/C9RA05350F","","","0.71073","MoKα","","0.1247","0.0536","","","0.1182","0.1562","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234990","16.0791","0.0003","11.5168","0.0002","29.4333","0.0006","90","","90","","90","","5450.45","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 N5 Se2 -","- C27 H29 N5 Se2 -","- C216 H232 N40 Se16 -","8","1","","Prabusankar, Ganesan; Raju, Gembali; Vaddamanu, Moulali; Muthukumaran, Nirmala; Sathyanarayana, Arruri; Nakamura, Shin-ya; Masaya, Yamane; Hisano, Kyohei; Tsutsumi, Osamu; Biswas, Chinmoy; Kumar Raavi, Sai Santosh","Luminescent zinc(ii) selone macrocyclic ring","RSC Advances","2019","9","26","14841","","10.1039/C9RA01819K","","x-ray","1.54184","CuKα","","0.0712","0.0515","","","0.1503","0.1786","","","","","","1.0417","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7234991","11.5441","0.0009","14.9994","0.0013","18.5505","0.0018","90","","105.613","0.009","90","","3093.6","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 Br4 N10 Se4 Zn2 -","- C54 H58 Br4 N10 Se4 Zn2 -","- C108 H116 Br8 N20 Se8 Zn4 -","2","0.5","","Prabusankar, Ganesan; Raju, Gembali; Vaddamanu, Moulali; Muthukumaran, Nirmala; Sathyanarayana, Arruri; Nakamura, Shin-ya; Masaya, Yamane; Hisano, Kyohei; Tsutsumi, Osamu; Biswas, Chinmoy; Kumar Raavi, Sai Santosh","Luminescent zinc(ii) selone macrocyclic ring","RSC Advances","2019","9","26","14841","","10.1039/C9RA01819K","","","1.54184","CuKα","","0.0815","0.0524","","","0.1272","0.1676","","","","","","1.0377","","","","has coordinates","223458","2020-10-21","18:00:00",""
"7234992","8.6879","0.0003","15.9969","0.0006","11.3681","0.0004","90","","102.318","0.001","90","","1543.56","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H34 K2 O2 S4 -","- C30 H34 K2 O2 S4 -","- C60 H68 K4 O4 S8 -","2","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0308","0.027","","","0.0597","0.0615","","","","","","1.031","","","","has coordinates,has disorder","223459","2020-10-21","18:00:00",""
"7234993","14.9197","0.0008","14.9197","0.0008","18.2151","0.001","90","","90","","90","","4054.6","0.4","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C22 H26 K N O3 -","- C22 H26 K N O3 -","- C176 H208 K8 N8 O24 -","8","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0585","0.0382","","","0.0854","0.0958","","","","","","1.022","","","","has coordinates","223459","2020-10-21","18:00:00",""
"7234994","9.4637","0.0012","11.0911","0.0015","13.9898","0.0017","74.333","0.003","89.812","0.003","81.725","0.003","1398.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 K N O4 -","- C31 H36 K N O4 -","- C62 H72 K2 N2 O8 -","2","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0888","0.0576","","","0.1361","0.1567","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:29",""
"7234995","10.9961","0.0006","17.9129","0.001","10.9897","0.0006","90","","111.963","0.0012","90","","2007.57","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 K N O3 -","- C22 H26 K N O3 -","- C88 H104 K4 N4 O12 -","4","1","","Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.","The structural diversity of heterocycle-fused potassium cyclopentadienides","RSC Advances","2019","9","50","29195","","10.1039/C9RA04587B","","","0.71073","MoKα","","0.0468","0.0352","","","0.0874","0.0938","","","","","","1.026","","","","has coordinates","223459","2020-10-21","18:00:00",""
"7234996","11.7099","0.0016","11.7099","0.0016","27.227","0.004","90","","90","","90","","3733.4","0.9","299.92","","299.92","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H8 N0.5 O12 U -","- C19 H8 N0.5 O12 U -","- C152 H64 N4 O96 U8 -","8","0.5","","Dufaye, Maxime; Martin, Nicolas P.; Duval, Sylvain; Volkringer, Christophe; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Time-controlled synthesis of the 3D coordination polymer U(1,2,3-Hbtc)2 followed by the formation of molecular poly-oxo cluster {U14} containing hemimellitate uranium(iv)","RSC Advances","2019","9","40","22795","","10.1039/C9RA03707A","","x-ray","0.71073","MoKα","","0.0407","0.0208","","","0.0422","0.0471","","","","","","1.024","","","","has coordinates","223460","2020-10-21","18:00:00",""
"7234997","18.247","0.002","18.247","0.002","29.034","0.003","90","","90","","90","","9667","1.8","99.99","","99.99","","","","","","","","","5","I -4","I -4","82","","","","- C88 H28 Cl8 O124 U14 -","- C88 H28 Cl8 O124 U14 -","- C176 H56 Cl16 O248 U28 -","2","0.25","","Dufaye, Maxime; Martin, Nicolas P.; Duval, Sylvain; Volkringer, Christophe; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Time-controlled synthesis of the 3D coordination polymer U(1,2,3-Hbtc)2 followed by the formation of molecular poly-oxo cluster {U14} containing hemimellitate uranium(iv)","RSC Advances","2019","9","40","22795","","10.1039/C9RA03707A","","x-ray","0.71073","MoKα","","0.0835","0.0541","","","0.1327","0.1551","","","","","","1.048","","","","has coordinates","223460","2020-10-21","18:00:00",""
"7234998","7.76382","0.00019","15.1103","0.0004","24.2613","0.0006","90","","97.833","0.002","90","","2819.63","0.12","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Ag F6 N5 P -","- C27 H29 Ag F6 N5 P -","- C108 H116 Ag4 F24 N20 P4 -","4","1","","Prabusankar, Ganesan; Muthukumaran, Nirmala; Vaddamanu, Moulali; Raju, Gembali; Velappan, Kavitha; Sathyanarayana, Arruri; Masaya, Yamane; Sugiyama, Shohei; Hisano, Kyohei; Tsutsumi, Osamu","Blue-emitting acridine-tagged silver(i)-bis-N-heterocyclic carbene","RSC Advances","2019","9","13","7543","","10.1039/C9RA00281B","","x-ray","1.54184","CuKα","","0.063","0.0536","","","0.1528","0.1647","","","","","","1.0462","","","","has coordinates","223461","2020-10-21","18:00:00",""
"7234999","14.5818","0.0013","28.597","0.002","9.1804","0.0007","90","","90","","90","","3828.2","0.5","273.15","","273.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","","5I","","- C24 H16 N4 O -","- C24 H16 N4 O -","- C192 H128 N32 O8 -","8","1","","Vala, Ruturajsinh M.; Patel, Divyang M.; Sharma, Mayank G.; Patel, Hitendra M.","Impact of an aryl bulky group on a one-pot reaction of aldehyde with malononitrile and N-substituted 2-cyanoacetamide","RSC Advances","2019","9","49","28886","","10.1039/C9RA05975J","","","0.71073","MoKα","","0.1024","0.0998","","","0.3099","0.3136","","","","","","2.7026","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235000","9.5352","0.0004","16.8113","0.0008","11.9674","0.0005","90","","112.758","0.0013","90","","1769.01","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5a","","- C20 H14 N4 O -","- C20 H14 N4 O -","- C80 H56 N16 O4 -","4","1","","Vala, Ruturajsinh M.; Patel, Divyang M.; Sharma, Mayank G.; Patel, Hitendra M.","Impact of an aryl bulky group on a one-pot reaction of aldehyde with malononitrile and N-substituted 2-cyanoacetamide","RSC Advances","2019","9","49","28886","","10.1039/C9RA05975J","","","0.71073","MoKα","","0.0767","0.07","","","0.2503","0.2551","","","","","","2.093","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235004","11.53","0.003","16.862","0.004","25.697","0.006","90","","98.067","0.004","90","","4947","2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(trimethylsilyl)ethyl-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranosyl-(1->2)-4-azido-3-O-benzyl-4,6-dideoxy-alpha-D-mannopyranoside","","- C44 H59 N9 O10 Si -","- C44 H59 N9 O10 Si -","- C176 H236 N36 O40 Si4 -","4","2","","Mukherjee, Mana Mohan; Xu, Peng; Stevens, Edwin D.; Kováč, Pavol","Towards the complete synthetic O-antigen of Vibrio cholerae O1, serotype inaba: improved synthesis of the conjugation-ready upstream terminal hexasaccharide determinant","RSC Advances","2019","9","62","36440","","10.1039/C9RA08232H","","","0.71073","MoKα","","0.0691","0.0445","","","0.1034","0.1171","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235048","7.708","0.0001","12.549","0.0002","13.1278","0.0002","90","","90","","90","","1269.82","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Zhao, Zhen-Zhu; Liang, Xu-Bo; Feng, Wei-Sheng; Wu, Ya; Zhi, Yan-Le; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Unusual constituents from the medicinal mushroom Ganoderma lingzhi","RSC Advances","2019","9","63","36931","","10.1039/C9RA08566A","","","1.54178","CuKα","","0.0513","0.0513","","","0.1314","0.1315","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235049","6.4948","0.0002","7.4524","0.0003","15.2812","0.0006","90","","101.004","0.001","90","","726.04","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C32 H48 O8 -","2","1","","Zhao, Zhen-Zhu; Liang, Xu-Bo; Feng, Wei-Sheng; Wu, Ya; Zhi, Yan-Le; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Unusual constituents from the medicinal mushroom Ganoderma lingzhi","RSC Advances","2019","9","63","36931","","10.1039/C9RA08566A","","","1.54178","CuKα","","0.0327","0.0327","","","0.0844","0.0845","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:29",""
"7235109","18.3138","0.0002","18.3138","0.0002","69.7479","0.0013","90","","90","","120","","20259","0.5","150","2","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14.31 H7.91 Cu N2 O9 -","- C14.31 H7.9 Cu N2 O9 -","- C515.16 H284.4 Cu36 N72 O324 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.0812","0.0787","","","0.2366","0.2405","","","","","","1.108","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235110","17.993","0.003","17.993","0.003","69.267","0.014","90","","90","","120","","19421","6","435","2","435.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1962","0.1294","","","0.3374","0.3791","","","","","","1.161","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235111","18.4309","0.0018","18.4309","0.0018","70.011","0.016","90","","90","","120","","20596","5","298","2","298.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O6 -","- C14 H8 Cu N2 O6 -","- C504 H288 Cu36 N72 O216 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1428","0.1133","","","0.3015","0.3499","","","","","","1.213","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235112","17.9678","0.0016","17.9678","0.0016","69.263","0.01","90","","90","","120","","19365","4","298","2","298.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong","Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework","RSC Advances","2019","9","64","37222","","10.1039/C9RA07301A","","","1.54178","CuKα","","0.1619","0.1193","","","0.3263","0.365","","","","","","1.134","","","","has coordinates,has disorder","227860","2020-10-21","18:00:00",""
"7235216","19.0174","0.0012","7.6764","0.0005","32.951","0.002","90","","90","","90","","4810.4","0.5","120.5","0.8","120.5","0.8","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H17 Eu N2 O7 -","- C25 H17 Eu N2 O7 -","- C200 H136 Eu8 N16 O56 -","8","1","","Xu, Ping; Yang, Han-Wen; Shi, Jia-Li; Ding, Bo; Zhao, Xiao-Jun; Yang, En-Cui","Efficient detection of a biomarker for infant jaundice by a europium(iii)-organic framework luminescence sensor","RSC Advances","2019","9","64","37584","","10.1039/C9RA08604H","","","1.54184","CuKα","","0.0751","0.0562","","","0.137","0.1504","","","","","","1.007","","","","has coordinates","231074","2020-10-21","18:00:00",""
"7235217","13.2045","0.0002","9.7903","0.0002","14.8676","0.0002","90","","93.816","0.002","90","","1917.76","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N5 O2 -","- C18 H22 Cl N5 O2 -","- C72 H88 Cl4 N20 O8 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0545","0.0529","","","0.1445","0.1457","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235218","12.7568","0.0004","9.7768","0.0003","15.1645","0.0004","90","","109.622","0.003","90","","1781.49","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Br N5 O -","- C17 H20 Br N5 O -","- C68 H80 Br4 N20 O4 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0399","0.0367","","","0.0929","0.0959","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235219","12.6684","0.0002","9.8123","0.0001","15.078","0.0002","90","","109.802","0.001","90","","1763.46","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N5 O -","- C17 H20 Cl N5 O -","- C68 H80 Cl4 N20 O4 -","4","2","","Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals","RSC Advances","2019","9","64","37660","","10.1039/C9RA08795H","","","1.54184","CuKα","","0.0311","0.0293","","","0.0719","0.0731","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235239","10.6314","0.0002","24.1537","0.0004","10.5798","0.0002","90","","103.663","0.001","90","","2639.88","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N3 O3 -","- C30 H33 N3 O3 -","- C120 H132 N12 O12 -","4","1","","Gazzotti, Stefano; Manenti, Marco; Lo Presti, Leonardo; Silvani, Alessandra","Allylation of isatin-derived N-Boc-hydrazones followed by Pd-catalyzed carboamination reaction: an entry to 3-spiro-pyrazolidyl-oxindoles","RSC Advances","2019","9","65","37788","","10.1039/C9RA07712J","","","0.71073","MoKα","","0.0838","0.0591","","","0.1819","0.2029","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235240","15.8858","0.0004","17.4589","0.0004","27.1441","0.0007","96.7381","0.0006","103.103","0.0005","107.782","0.0006","6839.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H112 Mn12 N4 O39 -","- C115 H112 Mn12 N4 O39 -","- C230 H224 Mn24 N8 O78 -","2","1","","Yang, En-Che; Huang, Shi-Yi; Wernsdorfer, Wolfgang; Hong, Ling-Xuan; Damjanovic, Marko; Niekamp, Lukas; Lee, Gene-Hsiang","A new member of a class of rod-like Mn12 single molecule magnets using 2-(pyridine-2-ly)propan-2-ol","RSC Advances","2019","9","65","37740","","10.1039/C9RA06280G","","","0.71073","MoKα","","0.0675","0.0474","","","0.1312","0.1458","","","","","","1.028","","","","has coordinates,has disorder","231117","2020-10-21","18:00:00",""
"7235250","15.5634","0.0003","12.4382","0.0002","12.8282","0.0003","90","","90","","90","","2483.29","0.09","100","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2E,2'E)-N,N'-(cyclohexane-1,2-diyl)bis(1-methylpyridin-2(1H)-iminium) di-trifluoromethanesulfonate","","- C20 H26 F6 N4 O6 S2 -","- C20 H26 F6 N4 O6 S2 -","- C80 H104 F24 N16 O24 S8 -","4","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck–Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","1.54178","CuKα","","0.0627","0.0524","","","0.1235","0.1299","","","","","","1.066","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235251","25.3399","0.0009","25.3399","0.0009","8.0684","0.0002","90","","90","","120","","4486.7","0.3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2,2'-(Ethane-1,2-diylbis(azanediyl))bis(1-ethylpyridin-1-ium) chloride","","- C16 H24 I2 N4 -","- C16 H24 I2 N4 -","- C144 H216 I18 N36 -","9","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck–Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.0497","0.0373","","","0.0913","0.0992","","","","","","1.037","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235252","6.7528","0.0005","20.0716","0.0017","8.2927","0.0009","90","","104.01","0.003","90","","1090.55","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-N,N'-(ethane-1,2-diyl)bis(1-methylpyridin-2(1H)-iminium) di-trifluoromethanesulfonate","","- C16 H20 F6 N4 O6 S2 -","- C16 H20 F6 N4 O6 S2 -","- C32 H40 F12 N8 O12 S4 -","2","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck–Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.0581","0.0446","","","0.1162","0.1259","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235253","16.0537","0.0015","7.2941","0.0006","8.9376","0.0009","90","","90","","90","","1046.57","0.17","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1-Ethyl-2-iodopyridin-1-ium iodide","","- C7 H9 I2 N -","- C7 H9 I2 N -","- C28 H36 I8 N4 -","4","0.5","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.021","0.0189","","","0.044","0.0455","","","","","","1.086","","","","has coordinates","231192","2020-10-21","18:00:00",""
"7235254","6.6961","0.0005","9.9947","0.001","16.1264","0.0014","90","","99.272","0.008","90","","1065.17","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-methylpyridin-1-ium trifluoromethanesulfonate","","- C7 H7 Cl F3 N O3 S -","- C7 H7 Cl F3 N O3 S -","- C28 H28 Cl4 F12 N4 O12 S4 -","4","1","","Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed","Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck–Mizoroki cross coupling reactions","RSC Advances","2019","9","65","37986","","10.1039/C9RA07912B","","","0.71073","MoKα","","0.0536","0.0405","","","0.0966","0.1076","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235255","8.0481","0.0009","9.7876","0.0009","10.8529","0.0013","90","","111.525","0.013","90","","795.28","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenyl-2H-azirine-2-carboxylic acid","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Sakharov, Pavel A.; Koronatov, Alexander N.; Khlebnikov, Alexander F.; Novikov, Mikhail S.; Glukharev, Artem G.; Rogacheva, Elizaveta V.; Kraeva, Liudmila A.; Sharoyko, Vladimir V.; Tennikova, Tatiana B.; Rostovskii, Nikolai V.","Non-natural 2H-azirine-2-carboxylic acids: an expedient synthesis and antimicrobial activity","RSC Advances","2019","9","65","37901","","10.1039/C9RA09345A","","","0.71073","MoKα","","0.0512","0.0409","","","0.0932","0.1014","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7238051","12.717","0.003","16.73","0.003","27.427","0.006","90","","90","","90","","5835","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N7 O12 Zn2 -","- C31 H22 N7 O12 Zn2 -","- C124 H88 N28 O48 Zn8 -","4","1","","Di, Ling; Xia, Zhengqiang; Li, Jian; Geng, Zhongxing; Li, Chun; Xing, Yang; Yang, Zhanxu","Selective sensing and visualization of pesticides by ABW-type metal‒organic framework based luminescent sensors","RSC Advances","2019","9","66","38469","","10.1039/C9RA08940C","","","0.71073","MoKα","","0.0722","0.0667","","","0.186","0.1896","","","","","","1.063","","","","has coordinates","242921","2020-10-21","18:00:00",""
"7238052","20.554","0.002","7.7056","0.0008","23.283","0.003","90","","90","","90","","3687.6","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H34 N10 O4 -","- C44 H34 N10 O4 -","- C176 H136 N40 O16 -","4","1","","Yang, Ruchun; Deng, Si; Dong, Xiang-you; Song, Xianrong; Cai, Hu; Bai, Jiang; Xiao, Qiang","Metal-free synthesis of 1,N6-ethenoadenines from N6-propargyl-adenines via NIS mediated radical cascade reaction","RSC Advances","2019","9","66","38897","","10.1039/C9RA09198J","","","0.71073","MoKα","","0.1028","0.0671","","","0.1531","0.173","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238053","9.0115","0.0015","10.9375","0.0017","17.301","0.003","94.82","0.003","100.924","0.003","92.663","0.003","1665","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Co N7 O6 -","- C38 H27 Co N7 O6 -","- C76 H54 Co2 N14 O12 -","2","1","","Tang, Long; Wang, Huan-Huan; Fu, Yu-Hao; Wang, Yi-Tong; Wang, JiJiang; Hou, XiangYang","Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies","RSC Advances","2019","9","66","38902","","10.1039/C9RA07737E","","","0.71073","MoKα","","0.051","0.0397","","","0.1113","0.1167","","","","","","1.062","","","","has coordinates","243773","2020-10-21","18:00:00",""
"7238054","8.571","0.002","11.968","0.003","16.874","0.004","91.273","0.003","103.657","0.003","95.169","0.003","1673.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H29 Co N7 O7 -","- C38 H29 Co N7 O7 -","- C76 H58 Co2 N14 O14 -","2","1","","Tang, Long; Wang, Huan-Huan; Fu, Yu-Hao; Wang, Yi-Tong; Wang, JiJiang; Hou, XiangYang","Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies","RSC Advances","2019","9","66","38902","","10.1039/C9RA07737E","","","0.71073","MoKα","","0.066","0.0498","","","0.1302","0.1417","","","","","","1.033","","","","has coordinates","243773","2020-10-21","18:00:00",""
"7238055","10.004","0.002","14.689","0.004","15.139","0.004","71.253","0.004","87.999","0.004","89.725","0.004","2105.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H34 Co N8 O7 -","- C45 H34 Co N8 O7 -","- C90 H68 Co2 N16 O14 -","2","1","","Tang, Long; Wang, Huan-Huan; Fu, Yu-Hao; Wang, Yi-Tong; Wang, JiJiang; Hou, XiangYang","Three cobalt-based coordination polymers with tripodal carboxylate and imidazole-containing ligands: syntheses, structures, properties and DFT studies","RSC Advances","2019","9","66","38902","","10.1039/C9RA07737E","","","0.71073","MoKα","","0.0564","0.0438","","","0.1098","0.1225","","","","","","1.036","","","","has coordinates","243773","2020-10-21","18:00:00",""
"7238056","10.9812","0.0006","11.0146","0.0006","13.6821","0.0008","105.918","0.002","94.241","0.002","92.164","0.002","1584.17","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N3 O2 -","- C40 H35 N3 O2 -","- C80 H70 N6 O4 -","2","1","","Muthukumar, Venkatesan; Munusamy, Sathishkumar; Thirumoorthy, Krishnan; Sawminathan, Sathish; KulathuIyer, Sathiyanarayanan","Fused pyrazole-phenanthridine based dyads: synthesis, photo-physical and theoretical studies, and live cell pH imaging","RSC Advances","2019","9","66","38687","","10.1039/C9RA07860F","","","0.71073","MoKα","","0.0771","0.0476","","","0.1204","0.1481","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238057","14.0942","0.001","11.0705","0.0008","17.449","0.0012","90","","91.14","0.002","90","","2722","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N3 -","- C36 H28 N3 -","- C144 H112 N12 -","4","1","","Muthukumar, Venkatesan; Munusamy, Sathishkumar; Thirumoorthy, Krishnan; Sawminathan, Sathish; KulathuIyer, Sathiyanarayanan","Fused pyrazole-phenanthridine based dyads: synthesis, photo-physical and theoretical studies, and live cell pH imaging","RSC Advances","2019","9","66","38687","","10.1039/C9RA07860F","","","0.71073","MoKα","","0.1315","0.065","","","0.145","0.1975","","","","","","1.052","","","","has coordinates","243774","2020-10-21","18:00:00",""
"7238058","28.4498","0.0019","7.439","0.0005","17.7851","0.0012","90","","125.191","0.002","90","","3076.1","0.4","302","2","302","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cd I2 N2 -","- C34 H26 Cd I2 N2 -","- C136 H104 Cd4 I8 N8 -","4","0.5","","Dutta, Basudeb; Purkait, Rakesh; Bhunia, Suprava; Khan, Samim; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah","Selective detection of trinitrophenol by a Cd(ii)-based coordination compound","RSC Advances","2019","9","66","38718","","10.1039/C9RA08614E","","","0.71073","MoKα","","0.0387","0.0329","","","0.0887","0.0957","","","","","","1.088","","","","has coordinates","243775","2020-10-21","18:00:00",""
"7238060","13.077","0.007","14.235","0.006","23.698","0.01","90","","90","","90","","4411","4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H25 Cl4 N3 Ru S -","- C17 H25 Cl4 N3 Ru S -","- C136 H200 Cl32 N24 Ru8 S8 -","8","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.1343","0.0816","","","0.1567","0.1763","","","","","","1.082","","","","has coordinates,has disorder","243811","2020-10-21","18:00:00",""
"7238061","10.6918","0.0018","14.539","0.002","26.597","0.004","90","","90","","90","","4134.5","1.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H27 Cl2 N3 Ru S -","- C18 H27 Cl2 N3 Ru S -","- C144 H216 Cl16 N24 Ru8 S8 -","8","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0426","0.0284","","","0.0563","0.061","","","","","","1.04","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7238062","10.398","0.002","12.551","0.003","13.766","0.005","90","","90","","90","","1796.5","0.9","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl N3 O2 Ru S -","- C15 H22 Cl N3 O2 Ru S -","- C60 H88 Cl4 N12 O8 Ru4 S4 -","4","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0655","0.0441","","","0.0829","0.0906","","","","","","1.037","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7238063","10.6196","0.0018","12.7321","0.0017","14.8584","0.0015","90","","107.98","0.011","90","","1910.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N3 O Ru S -","- C20 H22 Cl N3 O Ru S -","- C80 H88 Cl4 N12 O4 Ru4 S4 -","4","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0672","0.04","","","0.0776","0.086","","","","","","1.019","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7239606","11.9804","0.0014","13.438","0.0013","21.0607","0.0017","90","","97.313","0.011","90","","3363","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N8 O8.5 Zn -","- C32 H29 N7 O2 Zn -","- C128 H116 N28 O8 Zn4 -","4","1","","Huo, Jianqiang; Yu, Donghui; Li, Haiqiang; Luo, Bingcai; Arulsamy, Navamoney","Mechanistic investigation of photocatalytic degradation of organic dyes by a novel zinc coordination polymer","RSC Advances","2019","9","67","39323","","10.1039/C9RA07821E","","","0.71073","MoKα","","0.2105","0.0854","","","0.1655","0.235","","","","","","0.957","","","","has coordinates","244825","2020-10-21","18:00:00",""
"7239607","8.38","0.02","11.88","0.03","13.55","0.04","71.08","0.03","78.98","0.03","75.76","0.03","1228","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 O3 S Si2 -","- C26 H24 O3 S Si2 -","- C52 H48 O6 S2 Si4 -","2","1","","Xiao, Peng; Su, Shikuan; Wang, Wei; Cao, Weiguo; Chen, Jie; Li, Jian; Chen, Yali","Sequential cycloaddition and ring expansion reaction of arynes and methylenebenzothiopheneones: synthesis of a benzo-fused eight-membered ring via sulfonium ylides","RSC Advances","2019","9","67","39119","","10.1039/C9RA09332J","","","0.71073","MoKα","","0.0624","0.0429","","","0.1381","0.1739","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239608","10.329","0.005","17.205","0.007","15.111","0.007","90","","99.615","0.005","90","","2648","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O4 S Si2 -","- C27 H26 O4 S Si2 -","- C108 H104 O16 S4 Si8 -","4","1","","Xiao, Peng; Su, Shikuan; Wang, Wei; Cao, Weiguo; Chen, Jie; Li, Jian; Chen, Yali","Sequential cycloaddition and ring expansion reaction of arynes and methylenebenzothiopheneones: synthesis of a benzo-fused eight-membered ring via sulfonium ylides","RSC Advances","2019","9","67","39119","","10.1039/C9RA09332J","","","0.71073","MoKα","","0.0468","0.0406","","","0.1072","0.1133","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239609","8.4936","0.0015","9.6878","0.0017","11.232","0.0019","102.855","0.002","100.713","0.0018","107.846","0.003","824.9","0.2","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0329","0.0303","","","0.0664","0.0692","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239610","8.824","0.002","9.767","0.002","12.01","0.003","97.017","0.0016","104.879","0.003","115.3","0.003","872","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C36 H28 Br4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0472","0.0338","","","0.0863","0.0956","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239611","8.3748","0.0002","9.6561","0.0002","11.1482","0.0007","102.586","0.0007","100.651","0.0007","107.601","0.0007","807.64","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","2","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.68691","synchrotron","","0.016","0.016","","","0.044","0.0441","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239612","8.5223","0.0019","9.665","0.002","11.255","0.003","102.807","0.003","100.659","0.002","107.876","0.003","827.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0292","0.0266","","","0.0639","0.066","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239613","8.8044","0.0016","9.7839","0.0017","11.882","0.002","97.226","0.002","104.52","0.002","115.868","0.003","858.5","0.3","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C36 H28 Br4 N4 O8 -","2","2","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0343","0.0285","","","0.0562","0.0597","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239614","8.5359","0.0002","9.6656","0.0002","11.2585","0.0007","102.844","0.0007","100.667","0.0007","107.825","0.0007","829.48","0.06","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.6875","synchrotron","","0.0311","0.028","","","0.079","0.0814","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239615","4.8002","0.0003","8.5129","0.0005","11.2407","0.0007","102.13","0.0009","101.726","0.001","104.523","0.0011","418.54","0.04","375","","375","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","1","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.6875","synchrotron","","0.0424","0.04","","","0.1066","0.1094","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239616","8.812","0.003","9.795","0.003","11.993","0.003","97.0435","0.0019","105.051","0.004","115.222","0.004","871.5","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C36 H28 Br4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.048","0.0348","","","0.0883","0.0999","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239617","8.4976","0.0015","9.6911","0.0017","11.242","0.002","102.877","0.003","100.665","0.002","107.889","0.0017","826.2","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 I2 N2 O4 -","- C16 H10 I2 N2 O4 -","- C32 H20 I4 N4 O8 -","2","1","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","0.71075","MoKα","","0.0295","0.0274","","","0.0678","0.0705","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239618","4.8779","0.0002","8.1042","0.0003","11.8636","0.0007","108.473","0.0013","91.2897","0.0017","98.2241","0.0015","439.09","0.04","360","","360","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","1","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Kobayashi, Kensuke; Kumai, Reiji","Coexistence of normal and inverse deuterium isotope effects in a phase-transition sequence of organic ferroelectrics","RSC Advances","2019","9","68","39662","","10.1039/C9RA06489C","","","1","Synchrotron","","0.0395","0.0383","","","0.094","0.0954","","","","","","1.079","","","","has coordinates","244878","2020-10-21","18:00:00",""
"7239619","11.211","0.003","18.586","0.005","11.571","0.003","90","","96.437","0.005","90","","2395.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Dy2 N8 O6 -","- C54 H54 Dy2 N8 O6 -","- C108 H108 Dy4 N16 O12 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","0.71073","MoKα","","0.1139","0.0792","","","0.1834","0.2021","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239620","12.399","0.003","12.348","0.003","18.779","0.004","90","","98.274","0.004","90","","2845.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Cl4 Dy2 N8 O6 -","- C56 H58 Cl4 Dy2 N8 O6 -","- C112 H116 Cl8 Dy4 N16 O12 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","0.71073","MoKα","","0.1064","0.0539","","","0.1279","0.1622","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239621","12.54","0.002","13.764","0.002","18.544","0.003","90","","98.178","0.003","90","","3168.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cl6 Dy2 N8 O8 -","- C60 H60 Cl6 Dy2 N8 O8 -","- C120 H120 Cl12 Dy4 N16 O16 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","0.71073","MoKα","","0.1042","0.0517","","","0.0889","0.1056","","","","","","0.98","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239622","11.675","0.002","12.589","0.002","13.298","0.002","64.222","0.003","84.541","0.003","65.307","0.003","1590.1","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 Cl6 Dy2 N8 O8 -","- C62 H64 Cl6 Dy2 N8 O8 -","- C62 H64 Cl6 Dy2 N8 O8 -","1","0.5","","Jiang, Zhijie; Sun, Lin; Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ke, Hongshan; Zhang, Yiquan; Xie, Gang; Chen, Sanping","Solvent-tuned magnetic exchange interactions in Dy2 systems ligated by a μ-phenolato heptadentate Schiff base","RSC Advances","2019","9","68","39640","","10.1039/C9RA08754K","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","244879","2020-10-21","18:00:00",""
"7239623","15.661","0.004","13.297","0.003","23.29","0.005","90","","108.66","0.003","90","","4595.1","1.9","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H16.5 Br Cd N3.5 O5.5 -","- C19.5 H16.5 Br Cd N3.5 O5.5 -","- C156 H132 Br8 Cd8 N28 O44 -","8","1","","Jia, Lei; Xue, Zhe; Zhu, Rong-Rong; Yan, Tong; Wang, Yu-Na; Zhang, Suo-Shu; Geng, Xiao; Du, Lin; Zhao, Qi-Hua","A novel fluorescence phenomenon caused by amine induced ion-exchange between Cd2+ and Fe3+ ions","RSC Advances","2019","9","68","39854","","10.1039/C9RA07559C","","","0.71073","MoKα","","0.0724","0.0451","","","0.115","0.1299","","","","","","1.049","","","","has coordinates,has disorder","244880","2020-10-21","18:00:00",""
"7239624","14.34","0.002","18.918","0.003","16.582","0.003","90","","100.615","0.002","90","","4421.5","1.2","298","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br Cd N2 O5 -","- C21 H19 Br Cd N2 O5 -","- C168 H152 Br8 Cd8 N16 O40 -","8","1","","Jia, Lei; Xue, Zhe; Zhu, Rong-Rong; Yan, Tong; Wang, Yu-Na; Zhang, Suo-Shu; Geng, Xiao; Du, Lin; Zhao, Qi-Hua","A novel fluorescence phenomenon caused by amine induced ion-exchange between Cd2+ and Fe3+ ions","RSC Advances","2019","9","68","39854","","10.1039/C9RA07559C","","","0.71073","MoKα","","0.062","0.035","","","0.0729","0.0821","","","","","","1.025","","","","has coordinates","244880","2020-10-21","18:00:00",""
"7239631","8.9151","0.001","9.6712","0.0011","15.8118","0.0017","72.76","0.003","83.325","0.003","76.504","0.003","1264.5","0.2","120","2","120.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C64 H56 N4 O8 -","2","1","","Velezheva, V. S.; Babii, O. L.; Khodak, A. A.; Alekseeva, E. A.; Nelyubina, Yu V.; Godovikov, I. A.; Peregudov, A. S.; Majorov, K. B.; Nikonenko, B. V.","Novel base-initiated cascade reactions of hemiindigos to produce dipolar γ-carbolines and indole-fused pentacycles","RSC Advances","2019","9","71","41402","","10.1039/C9RA07807J","","","0.71073","MoKα","","0.11","0.0592","","","0.1406","0.1645","","","","","","0.8751","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239632","11.336","0.0008","6.3863","0.0004","15.8956","0.0011","90","","95.678","0.002","90","","1145.12","0.13","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Velezheva, V. S.; Babii, O. L.; Khodak, A. A.; Alekseeva, E. A.; Nelyubina, Yu V.; Godovikov, I. A.; Peregudov, A. S.; Majorov, K. B.; Nikonenko, B. V.","Novel base-initiated cascade reactions of hemiindigos to produce dipolar γ-carbolines and indole-fused pentacycles","RSC Advances","2019","9","71","41402","","10.1039/C9RA07807J","","","0.71073","MoKα","","0.0848","0.0521","","","0.0855","0.1016","","","","","","1.0335","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239633","24.775","0.002","25.959","0.002","18.608","0.0017","90","","114.51","0.002","90","","10889","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C122 H150 N8 O15 -","- C122 H150 N8 O15 -","- C488 H600 N32 O60 -","4","0.5","","An, Lin; Liu, Jia-dong; Peng, Xian-na; Zheng, You-guang; Wang, Chan; Huang, Tong-hui","Preparation and in vitro bioactivity evaluation of N-heterocyclic-linked dihomooxacalix[4]arene derivatives","RSC Advances","2019","9","70","41287","","10.1039/C9RA06876G","","","0.71073","MoKα","","0.1137","0.0671","","","0.1615","0.1859","","","","","","1.028","","","","has coordinates,has disorder","245191","2020-10-21","18:00:00",""
"7239640","10.515","0.002","18.508","0.004","15.602","0.003","90","","106.547","0.003","90","","2910.6","1","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C30 H24 Br2 Cl2 Cu N2 O2 -","- C120 H96 Br8 Cl8 Cu4 N8 O8 -","4","0.5","","Guo, Yaning; Hu, Xiaobing; Zhang, Xinli; Pu, Xiaohua; Wang, Yue","The synthesis of a Cu(ii) Schiff base complex using a bidentate N2O2 donor ligand: crystal structure, photophysical properties, and antibacterial activities","RSC Advances","2019","9","71","41737","","10.1039/C9RA07298E","","","0.71073","MoKα","","0.0422","0.0336","","","0.071","0.0751","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239641","12.621","0.005","9.092","0.003","13.389","0.005","90","","116.556","0.004","90","","1374.3","0.9","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br Cl N O -","- C15 H13 Br Cl N O -","- C60 H52 Br4 Cl4 N4 O4 -","4","1","","Guo, Yaning; Hu, Xiaobing; Zhang, Xinli; Pu, Xiaohua; Wang, Yue","The synthesis of a Cu(ii) Schiff base complex using a bidentate N2O2 donor ligand: crystal structure, photophysical properties, and antibacterial activities","RSC Advances","2019","9","71","41737","","10.1039/C9RA07298E","","","0.71073","MoKα","","0.0529","0.0337","","","0.0698","0.074","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239642","10.2955","0.0004","30.459","0.0009","10.5847","0.0003","90","","111.381","0.004","90","","3090.82","0.19","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 Cl2 N2 O2 Ti -","- C32 H42 Cl2 N2 O2 Ti -","- C128 H168 Cl8 N8 O8 Ti4 -","4","1","","Li, Sihan; Zhu, Yuqiong; Liang, Huaqing; Xie, Xiuli; Zhan, Yipeng; Liang, Guodong; Zhu, Fangming","The influences of electronic effect and isomerization of salalen titanium(iv) complexes on ethylene polymerization in the presence of methylaluminoxane","RSC Advances","2019","9","71","41824","","10.1039/C9RA08899G","","x-ray","1.54184","CuKα","","0.1164","0.0828","","","0.214","0.2393","","","","","","1.106","","","","has coordinates","245305","2020-10-21","18:00:00",""
"7239643","20.5893","0.0009","9.7299","0.0004","12.9904","0.0006","90","","96.974","0.004","90","","2583.1","0.2","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl2 F N2 O2 Ti -","- C25 H33 Cl2 F N2 O2 Ti -","- C100 H132 Cl8 F4 N8 O8 Ti4 -","4","1","","Li, Sihan; Zhu, Yuqiong; Liang, Huaqing; Xie, Xiuli; Zhan, Yipeng; Liang, Guodong; Zhu, Fangming","The influences of electronic effect and isomerization of salalen titanium(iv) complexes on ethylene polymerization in the presence of methylaluminoxane","RSC Advances","2019","9","71","41824","","10.1039/C9RA08899G","","x-ray","0.71073","MoKα","","0.0488","0.0387","","","0.0892","0.0955","","","","","","1.026","","","","has coordinates","245305","2020-10-21","18:00:00",""
"7239644","6.8717","0.0004","7.659","0.0004","14.4338","0.0007","90","","101.854","0.002","90","","743.46","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O6 -","- C16 H15 N O6 -","- C32 H30 N2 O12 -","2","1","","Ghosh, Arun K.; Grillo, Alessandro; Kovela, Satish; Brindisi, Margherita","Asymmetric Diels–Alder reaction of 3-(acyloxy)acryloyl oxazolidinones: optically active synthesis of a high-affinity ligand for potent HIV-1 protease inhibitors","RSC Advances","2019","9","71","41755","","10.1039/C9RA10178K","","","0.71073","MoKα","","0.0549","0.0437","","","0.1107","0.1182","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239645","9.1771","0.0017","10.3269","0.0014","11.308","0.0012","81.303","0.013","83.59","0.015","74.781","0.011","1019.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Br2 N3 O2 S -","- C21 H17 Br2 N3 O2 S -","- C42 H34 Br4 N6 O4 S2 -","2","1","","Yi, Fengping; Fu, Chao; Sun, Qihui; Wei, Huazhen; Yu, Genfa; Yi, Weiyin","Direct intramolecular double cross-dehydrogentive-coupling (CDC) cyclization of N-(2-pyridyl)amidines under metal-free conditions","RSC Advances","2019","9","72","42172","","10.1039/C9RA09265J","","","1.54178","CuKα","","0.0309","0.0294","","","0.0955","0.0972","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239663","9.6385","0.0002","12.8687","0.0003","13.4092","0.0003","71.818","0.001","75.224","0.001","74.543","0.001","1495.94","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 N6 O8 Zn -","- C33 H20 N6 O8 Zn -","- C66 H40 N12 O16 Zn2 -","2","1","","Wang, Chang-Sheng; Huang, Qi; Wang, Xia; Zhang, Yu-Tong; Ma, Dong-Sheng; Yu, Ying-Hui; Gao, Jin-Sheng","Three new coordination polymers based on bis(4-(4H-1,2,4-triazol-4-yl)phenyl)methane: syntheses, structures, multiresponsive luminescent sensitive detection for antibiotics and pesticides, and antitumor activities","RSC Advances","2019","9","72","42272","","10.1039/C9RA08659E","","","0.71073","MoKα","","0.0407","0.0333","","","0.0887","0.0933","","","","","","1.017","","","","has coordinates","245477","2020-10-21","18:00:00",""
"7239664","24.1943","0.0009","23.8328","0.0009","15.221","0.0006","90","","102.567","0.002","90","","8566.4","0.6","302","2","302","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 Ag2 Mo4 N13 O13 -","- C36 H31 Ag2 Mo4 N13 O13 -","- C288 H248 Ag16 Mo32 N104 O104 -","8","1","","Wang, Chang-Sheng; Huang, Qi; Wang, Xia; Zhang, Yu-Tong; Ma, Dong-Sheng; Yu, Ying-Hui; Gao, Jin-Sheng","Three new coordination polymers based on bis(4-(4H-1,2,4-triazol-4-yl)phenyl)methane: syntheses, structures, multiresponsive luminescent sensitive detection for antibiotics and pesticides, and antitumor activities","RSC Advances","2019","9","72","42272","","10.1039/C9RA08659E","","","0.71073","MoKα","","0.1479","0.0855","","","0.1978","0.2603","","","","","","1.09","","","","has coordinates","245477","2020-10-21","18:00:00",""
"7239665","16.6171","0.0005","8.1566","0.0002","20.3047","0.0006","90","","110.44","0.001","90","","2578.8","0.13","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cd N6 O2 -","- C21 H16 Cd N6 O2 -","- C84 H64 Cd4 N24 O8 -","4","1","","Wang, Chang-Sheng; Huang, Qi; Wang, Xia; Zhang, Yu-Tong; Ma, Dong-Sheng; Yu, Ying-Hui; Gao, Jin-Sheng","Three new coordination polymers based on bis(4-(4H-1,2,4-triazol-4-yl)phenyl)methane: syntheses, structures, multiresponsive luminescent sensitive detection for antibiotics and pesticides, and antitumor activities","RSC Advances","2019","9","72","42272","","10.1039/C9RA08659E","","","0.71073","MoKα","","0.0311","0.0268","","","0.0776","0.0803","","","","","","1.06","","","","has coordinates","245477","2020-10-21","18:00:00",""
"7246217","6.6561","0.0007","11.5249","0.0015","6.6579","0.0006","90","","109.515","0.008","90","","481.39","0.09","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cu2 S3 Sn -","- Cu2 S3 Sn -","- Cu8 S12 Sn4 -","4","1","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Boullay, P.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Prestipino, C.; Menut, D.; Candolfi, C.; Malaman, B.; Juraszek, J.; Guilmeau, E.","'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram'","Journal of Materials Chemistry A","2021","9","17","10812","10826","10.1039/d1ta01615f","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","0.3321","","","","","","","","has coordinates","280692","2023-01-31","09:08:14",""
"7246218","12.058","0.0004","5.40629","0.00017","8.5026","0.0003","90","","98.163","0.002","90","","548.66","0.03","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Cu5 S7 Sn2 -","- Cu5 S7 Sn2 -","- Cu10 S14 Sn4 -","2","0.5","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Boullay, P.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Prestipino, C.; Menut, D.; Candolfi, C.; Malaman, B.; Juraszek, J.; Guilmeau, E.","'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram'","Journal of Materials Chemistry A","2021","9","17","10812","10826","10.1039/d1ta01615f","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","3.3425","","","","","","","","has coordinates","280693","2023-01-31","09:09:31",""
"7247708","13.21653","0.00098","7.88834","0.00064","4.65345","0.00023","91.066","0.0051","87.8402","0.0062","106.538","0.0039","464.74","0.06","294","","294","2","","","1000","","","","","5","P -1","-P 1","2","methylammonium catena-polyphosphate","methylammonium catena-polyphosphate","","- C2 H12 N2 O6 P2 -","- C2 H12 N2 O6 P2 -","- C4 H24 N4 O12 P4 -","2","1","","Mangstl, Martin; Wied, Jan Konrad; Weber, Johannes; Pritzel, Christian; Trettin, Reinhard; Schmedt auf der Günne, Jörn","Synthesis and characterization of methylammonium phosphates as crystalline approximants for anhydrous, low melting phosphate glasses","RSC Advances","2019","9","4","1822","1830","10.1039/C8RA07736C","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.01169","","1.336","","","","","","","has coordinates","287580","2023-11-14","07:35:09",""
"8000389","16.3649","0.0007","33.5729","0.001","8.0898","0.0003","90","","97.21","0.004","90","","4409.5","0.3","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl I3 N4 O2 Pb -","- C40 H54 Cl I3 N4 O2 Pb -","- C160 H216 Cl4 I12 N16 O8 Pb4 -","4","1","","Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A.; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A","One-Dimensional Organic-Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations.","The journal of physical chemistry letters","2018","9","9","2438","2442","10.1021/acs.jpclett.8b00458","","","1.54184","CuKα","","0.0658","0.0519","","","0.1229","0.1324","","","","","","1.054","","","","has coordinates","236662","2020-10-21","18:00:00",""
"8000390","10.03872","0.00018","10.41729","0.00019","19.6956","0.0004","76.455","0.005","80.489","0.006","88.925","0.006","1974.45","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H23 Eu F9 N3 O6 S3 -","- C39 H23 Eu F9 N3 O6 S3 -","- C78 H46 Eu2 F18 N6 O12 S6 -","2","1","","Hashimoto, Yuichiro; Nakashima, Takuya; Yamada, Miku; Yuasa, Junpei; Rapenne, Gwénaël; Kawai, Tsuyoshi","Hierarchical Emergence and Dynamic Control of Chirality in a Photoresponsive Dinuclear Complex.","The journal of physical chemistry letters","2018","9","9","2151","2157","10.1021/acs.jpclett.8b00690","","","0.71075","MoKα","","0.0196","0.0189","","","0.0474","0.0493","","","","","","1.088","","","","has coordinates,has disorder","301880","2025-08-22","23:45:42",""
"9004064","6.71","","10.411","","5.58","","90","","90","","90","","389.807","","","","","","","","","","","","McGill University, Montreal, Quebec, Canada","5","I m a m","-I 2c 2","74","","","Dawsonite","- C H2 Al Na O5 -","- C H2 Al Na O5 -","- C4 H8 Al4 Na4 O20 -","4","0.25","","Frueh, A. J.; Golightly, J. P.","The crystal structure of dawsonite NaAl(CO3)(OH)2","The Canadian Mineralogist","1967","9","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004065","10.43","","10.43","","10.43","","90","","90","","90","","1134.63","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Pyrochlore","- Ca2 F Nb2 O6 -","- Ca2 F Nb2 O6 -","- Ca16 F8 Nb16 O48 -","8","0.0416667","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 1","The Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004066","10.393","","10.393","","10.393","","90","","90","","90","","1122.59","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Pyrochlore","- Ca2 F Nb2 O6 -","- Ca2 F Nb2 O6 -","- Ca16 F8 Nb16 O48 -","8","0.0416667","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 2","The Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004067","10.428","","10.428","","10.428","","90","","90","","90","","1133.97","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Pyrochlore","- Ca2 F Nb2 O6 -","- Ca2 F Nb2 O6 -","- Ca16 F8 Nb16 O48 -","8","0.0416667","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 3","The Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004068","10.3947","","10.3947","","10.3947","","90","","90","","90","","1123.15","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Pyrochlore","- Ca2 F Nb2 O6 -","- Ca2 F Nb2 O6 -","- Ca16 F8 Nb16 O48 -","8","0.0416667","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 4","The Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004069","10.4205","","10.4205","","10.4205","","90","","90","","90","","1131.53","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","","Pyrochlore","- Ca2 F Nb2 O6 -","- Ca2 F Nb2 O6 -","- Ca16 F8 Nb16 O48 -","8","0.0416667","","Perrault, G.","La composition chimique et la structure cristalline du pyrochlore d'Oka, P.Q. Sample: No. 5","The Canadian Mineralogist","1968","9","","383","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9005289","10.589","","10.589","","5.891","","90","","90","","120","","572.044","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Gaudefroyite","- C B3 Ca4 Mn3 O15 -","- C B3 Ca4 Mn3 O15 -","- C2 B6 Ca8 Mn6 O30 -","2","0.166667","","Hoffmann, C.; Armbruster, T.; Kunz, M.","Structure refinement of (001) disordered gaudefroyite Ca4Mn3[(BO3)3(CO3)O3]: Jahn-Teller-distortion in edge-sharing chains of MnO6 octahedra","European Journal of Mineralogy","1997","9","","7","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005290","12.8013","","12.8013","","21.4119","","90","","90","","120","","3038.74","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","","Afghanite","- Al12 Ca5 Cl2.9 F0.1 K2.36 Na8.64 O60 S3 Si12 -","- Al12 Ca4.9999 Cl2.9 F0.1002 K2.3598 Na8.64 O48 Os11.9999 S3 Si12 -","- Al24 Ca9.9998 Cl5.8 F0.2004 K4.7196 Na17.28 O96 Os23.9999 S6 Si24 -","2","0.333333","","Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.","Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si,Al ordering","European Journal of Mineralogy","1997","9","","21","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005291","8.4466","","8.4466","","8.4466","","90","","90","","90","","602.623","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Cr1.807 Mn1.193 O4 -","- Cr1.807 Mn1.193 O4 -","- Cr14.456 Mn9.544 O32 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: SPN255","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005292","8.4075","","8.4075","","8.4075","","90","","90","","90","","594.293","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Jacobsite","- Al0.049 Fe1.911 Mg0.736 Mn0.284 O4 Zn0.017 -","- Al0.0488 Fe1.9114 Mg0.7364 Mn0.2842 O4 Zn0.0173 -","- Al0.3904 Fe15.2912 Mg5.8912 Mn2.2736 O32 Zn0.1384 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: JBS1","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005293","8.4454","","8.4454","","8.4454","","90","","90","","90","","602.366","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Jacobsite","- Fe2.068 Mg0.475 Mn0.446 O4 Ti0.002 Zn0.006 -","- Fe2.0678 Mg0.475 Mn0.4462 O4 Ti0.002 Zn0.0059 -","- Fe16.5424 Mg3.8 Mn3.5696 O32 Ti0.016 Zn0.0472 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: JBS3","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005294","8.4956","","8.4956","","8.4956","","90","","90","","90","","613.172","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Jacobsite","- Al0.03 Fe2.004 Mg0.129 Mn0.832 O4 Zn0.007 -","- Al0.0296 Fe2.0038 Mg0.1288 Mn0.8322 O4 Zn0.0068 -","- Al0.2368 Fe16.0304 Mg1.0304 Mn6.6576 O32 Zn0.0544 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: JBS4","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005295","8.4576","","8.4576","","8.4576","","90","","90","","90","","604.981","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.057 Fe2.266 Mg0.019 Mn0.339 O4 Ti0.025 Zn0.298 -","- Al0.0566 Fe2.2657 Mg0.019 Mn0.3386 O4 Ti0.025 Zn0.2977 -","- Al0.4528 Fe18.1256 Mg0.152 Mn2.7088 O32 Ti0.2 Zn2.3816 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: FRK1b","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005296","8.2226","","8.2226","","8.2226","","90","","90","","90","","555.939","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Galaxite","- Al1.773 Fe0.27 Mg0.142 Mn0.815 O4 -","- Al1.7727 Fe0.2703 Mg0.1419 Mn0.8151 O4 -","- Al14.1816 Fe2.1624 Mg1.1352 Mn6.5208 O32 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: SPN258","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005297","8.033","","6.253","","9.221","","90","","102.98","","90","","451.339","","","","","","","","","","","","Tuscany, Italy","5","P 1 21 1","P 2yb","4","","","","- Cl3 Fe H6 O5 Pb2 -","- Cl3 Fe H6 O5 Pb2 -","- Cl6 Fe2 H12 O10 Pb4 -","2","1","","Pasero, M.; Perchiazzi, N.; Bigi, S.; Franzini, M.; Merlino, S.","Pb2FeCl3(OH)4.H2O, a newly discovered natural phase from Tuscany, Italy: physio-chemical data, crystal structure, and OD character","European Journal of Mineralogy","1997","9","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005298","9.873","","9.873","","10.288","","90","","90","","90","","1002.83","","","","298.15","","","","","","","","Synthetic","5","I 41/a :2","-I 4ad","88","","","Garronite","- Al0.354 Ca0.175 H10 O2.86 Si0.646 -","- Al0.354 Ca0.175 H1.72 O2.86 Si0.646 -","- Al5.664 Ca2.8 H27.52 O45.76 Si10.336 -","16","1","","Schropfer, L.; Joswig, W.","Structure analyses of a partially dehydrated synthetic Ca-garronite single crystal under different T, pH2O conditions Sample: GAR25/20, T = 25 C, 60% relative humidity","European Journal of Mineralogy","1997","9","","53","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005299","9.912","","9.912","","10.303","","90","","90","","90","","1012.25","","","","298.15","","","","","","","","Synthetic","5","I 41/a :2","-I 4ad","88","","","Garronite","- Al0.354 Ca0.175 H10 O2.86 Si0.646 -","- Al0.354 Ca0.175 H1.72 O2.86 Si0.646 -","- Al5.664 Ca2.8 H27.52 O45.76 Si10.336 -","16","1","","Schropfer, L.; Joswig, W.","Structure analyses of a partially dehydrated synthetic Ca-garronite single crystal under different T, pH2O conditions Sample: GAR25/27, T = 25 C, 80% relative humidity","European Journal of Mineralogy","1997","9","","53","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005300","9.79","","9.79","","9.097","","90","","90","","90","","871.894","","","","418.15","","","","","","","","Synthetic","5","P 41 21 2","P 4abw 2nw","92","","","Garronite","- Al0.708 Ca0.354 H1.776 O4.888 Si1.292 -","- Al0.708 Ca0.354 H1.776 O4.888 Si1.292 -","- Al5.664 Ca2.832 H14.208 O39.104 Si10.336 -","8","1","","Schropfer, L.; Joswig, W.","Structure analyses of a partially dehydrated synthetic Ca-garronite single crystal under different T, pH2O conditions Sample: GAR145/27, T = 145 C, 27 mbar pH2O","European Journal of Mineralogy","1997","9","","53","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005301","9.829","","18.024","","5.284","","90","","104.66","","90","","905.627","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al1.24 Ca1.41 F2 Mg4.35 Mn0.87 Na1.18 O22 Si6.92 -","- Al1.24 Ca1.41 F2 Mg4.35 Mn0.87 Na1.18 O22 Si6.92 -","- Al2.48 Ca2.82 F4 Mg8.7 Mn1.74 Na2.36 O44 Si13.84 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Raudsepp, M.","The behaviour of Mn in amphiboles: Mn in synthetic fluor-edenite and synthetic fluor-pargasite Sample: MFE","European Journal of Mineralogy","1997","9","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005302","9.812","","17.926","","5.308","","90","","105.1","","90","","901.388","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Fluoropargasite","- Al2.85 Ca1.65 F2 Mg3.38 Mn1.24 Na0.87 O22 Si6.01 -","- Al2.85 Ca1.65 F2 Mg3.38 Mn1.24 Na0.87 O22 Si6.01 -","- Al5.7 Ca3.3 F4 Mg6.76 Mn2.48 Na1.74 O44 Si12.02 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Raudsepp, M.","The behaviour of Mn in amphiboles: Mn in synthetic fluor-edenite and synthetic fluor-pargasite Sample: MFP","European Journal of Mineralogy","1997","9","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005303","8.5733","","12.9375","","7.2075","","90.53","","115.972","","87.968","","718.229","","","","","","","","0","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 0.0 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005304","8.4812","","12.93","","7.1784","","90.436","","116.163","","87.97","","706.072","","","","","","","","1400000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 1.4 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005305","8.3722","","12.899","","7.1328","","90.38","","116.29","","87.93","","690.128","","","","","","","","2900000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 2.9 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005306","8.276","","12.878","","7.0936","","90.38","","116.372","","87.89","","676.845","","","","","","","","4400000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 4.4 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005307","8.1578","","12.8558","","7.0406","","90.49","","116.616","","87.86","","659.648","","","","","","","","6200000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 6.2 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005308","8.0764","","12.8471","","6.9991","","90.548","","116.83","","87.903","","647.584","","","","","","","","7100000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 7.1 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005309","8.131","","12.847","","7.069","","94.03","","115.9","","90.72","","661.839","","","","","","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Anorthite","- Al1.911 Ca0.716 Mn0.196 Na0.045 O8 Si2.089 -","- Al1.911 Ca0.716 Mn0.196 Na0.045 O8 Si2.089 -","- Al7.644 Ca2.864 Mn0.784 Na0.18 O32 Si8.356 -","4","","","Matsui, T.; Kimata, M.","Crystal chemistry of synthetic Mn-bearing anorthite: Incorporation of MnAl2Si2O8 end-member into feldspar Note: U(1,1) for Obo altered to reproduce Uiso","European Journal of Mineralogy","1997","9","","333","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005310","9.786","","8.86","","5.338","","90","","105.87","","90","","445.185","","","","","","","","","","","","Chelyabinsk coal basin, Southern Urals","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca0.96 Fe0.51 Mg0.44 O6 Si1.4 -","- Al0.6 Ca0.96 Fe0.51 Mg0.44 O6 Si1.4 -","- Al2.4 Ca3.84 Fe2.04 Mg1.76 O24 Si5.6 -","4","0.5","","Kabalov, Y. K.; Oeckler, O.; Sokolova, E. V.; Mironov, A. B.; Chesnokov, B. V.","Subsilicic ferrian aluminian diopside from the Chelyabinsk coal basin (Southern Urals) - an unusual clinopyroxene","European Journal of Mineralogy","1997","9","","617","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005311","8.181","","10.841","","5.081","","90","","90","","90","","450.635","","","","110","","","","","","","","","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O9 Si2 Zn4 -","- H2 O9 Si2 Zn4 -","- H4 O18 Si4 Zn8 -","2","0.25","","Libowitzky, E.; Kohler, T.; Armbruster, T.; Rossman, G. R.","Proton disorder in dehydrated hemimorphite - IR spectroscopy and X-ray structure refinement at low and ambient temperatures T = 110 K","European Journal of Mineralogy","1997","9","","803","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005312","8.191","","10.824","","5.088","","90","","90","","90","","451.099","","","","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O9 Si2 Zn4 -","- H2 O9 Si2 Zn4 -","- H4 O18 Si4 Zn8 -","2","0.25","","Libowitzky, E.; Kohler, T.; Armbruster, T.; Rossman, G. R.","Proton disorder in dehydrated hemimorphite - IR spectroscopy and X-ray structure refinement at low and ambient temperatures T = 293 K","European Journal of Mineralogy","1997","9","","803","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005313","9.758","","8.897","","5.283","","90","","108.74","","90","","434.339","","","","473.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Kanoite","- Ca0.07 Mg1.109 Mn0.821 O6 Si2 -","- Ca0.07 Mg1.109 Mn0.821 O6 Si2 -","- Ca0.28 Mg4.436 Mn3.284 O24 Si8 -","4","1","","Arlt, T.; Armbruster, T.","The temperature-dependent P2_1/c - C2/c phase transition in the clinopyroxene kanoite MnMg[Si2O6]: a single-crystal X-ray and optical study T = 200 C","European Journal of Mineralogy","1997","9","","953","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005314","9.796","","8.88","","5.315","","90","","109.26","","90","","436.467","","","","543.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Kanoite","- Ca0.07 Mg1.123 Mn0.807 O6 Si2 -","- Ca0.07 Mg1.123 Mn0.807 O6 Si2 -","- Ca0.28 Mg4.492 Mn3.228 O24 Si8 -","4","0.5","","Arlt, T.; Armbruster, T.","The temperature-dependent P2_1/c - C2/c phase transition in the clinopyroxene kanoite MnMg[Si2O6]: a single-crystal X-ray and optical study T = 270 C","European Journal of Mineralogy","1997","9","","953","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005315","4.877","","11.166","","6.448","","90","","90","","90","","351.136","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","Kirschsteinite","- Ca Fe0.77 Mg0.22 O4 Si -","- Ca Fe0.77 Mg0.22 O4 Si -","- Ca4 Fe3.08 Mg0.88 O16 Si4 -","4","0.5","","Folco, L.; Mellini, M.","Crystal chemistry of meteoritic kirschsteinite Sample: KIR1","European Journal of Mineralogy","1997","9","","969","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005316","4.875","","11.164","","6.447","","90","","90","","90","","350.875","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","Kirschsteinite","- Ca Fe0.69 Mg0.31 O4 Si -","- Ca Fe0.69 Mg0.31 O4 Si -","- Ca4 Fe2.76 Mg1.24 O16 Si4 -","4","0.5","","Folco, L.; Mellini, M.","Crystal chemistry of meteoritic kirschsteinite Sample: KIR2 Note: U(1,1) of O1 altered to reproduce Uiso","European Journal of Mineralogy","1997","9","","969","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005317","4.804","","9.107","","8.551","","90","","90","","90","","374.106","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Krieselite","- Al2 Ge H2 O6 -","- Al2 Ge H2 O6 -","- Al8 Ge4 H8 O24 -","4","0.5","","Wunder, B.; Marler, B.","Ge-analogues of aluminium silicates: High-pressure synthesis and properties of orthorhombic Al2GeO4(OH)2 Note: Space group setting altered to match standard","European Journal of Mineralogy","1997","9","","1147","1158","","","","","","","","","","","","","","","","","","","","","","has coordinates","288652","2024-01-03","16:52:31",""
"9005318","14.556","","13.206","","7.513","","90","","110.75","","90","","1350.52","","","","","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","Leonhardite","- Al4.072 Ca1.276 H4.534 K0.795 Na0.62 O31 Si7.928 -","- Al4.072 Ca1.276 H13.94 K0.795 Na0.62 O30.97 Si7.928 -","- Al8.144 Ca2.552 H27.88 K1.59 Na1.24 O61.94 Si15.856 -","2","0.5","","Baur, W. H.; Joswig, W.; Fursenko, B. A.; Belitsky, I. A.","Symmetry reduction of the aluminosilicate framework of LAU topology by ordering of exchangeable cations: the crystal structure of primary leonhardite with a primitive Bravais lattice","European Journal of Mineralogy","1997","9","","1173","1182","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005319","5.21379","","5.21379","","29.7382","","90","","90","","120","","700.088","","","","293","","","","","","","","Dora-Maira massif, western Alps","6","P 31 1 2","P 31 2 (0 0 4)","151","","","Aluminoceladonite","- Al1.788 H2 K Mg0.64 O12 Si3.572 -","- Al1.788 H2 K Mg0.64 O12 Si3.572 -","- Al5.364 H6 K3 Mg1.92 O36 Si10.716 -","3","0.5","","Pavese, A.; Ferraris, G.; Prencipe, M.; Ibberson, R.","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study Note: at T = 293 K","European Journal of Mineralogy","1997","9","","1183","1190","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005320","5.23169","","5.23169","","30.1227","","90","","90","","120","","714.017","","","","893","","","","","","","","Dora-Maira massif, western Alps","6","P 31 1 2","P 31 2 (0 0 4)","151","","","Phengite","- Al2.798 H2 K2 Mg0.63 O12 Si3.572 -","- Al1.848 H2 K Mg0.58 O12 Si3.572 -","- Al5.544 H6 K3 Mg1.74 O36 Si10.716 -","3","0.5","","Pavese, A.; Ferraris, G.; Prencipe, M.; Ibberson, R.","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study Note: at T = 893 K","European Journal of Mineralogy","1997","9","","1183","1190","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005321","15.04","","15.51","","4.09","","90","","90","","90","","954.076","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Cl2.3 Pb4.32 S8.7 Sb3.68 -","- Cl2.3 Pb4.32 S8.7 Sb3.68 -","- Cl4.6 Pb8.64 S17.4 Sb7.36 -","2","0.25","","Kostov-Kytin V V; Petrova, R.; Macicek, J.","Crystal structure of synthetic Pb4.32Sb3.68S8.68Cl2.32 A chlorine-bearing alternative to Pb4Sb4S11","European Journal of Mineralogy","1997","9","","1191","1197","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005769","4.2696","","4.2696","","4.2696","","90","","90","","90","","77.833","","","","","","","","","","","","","2","P n -3 :1","P 2 2 3 -1n","201","","","Cuprite","- Cu2 O -","- Cu2 O -","- Cu4 O2 -","2","0.0833333","","Hafner, S. S.; Nagel, S.","The electric field gradient at the position of copper in Cu2O and electronic charge density analysis by means of K-factors","Physics and Chemistry of Minerals","1983","9","","19","22","10.1007/BF00309465","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007432","4.594","","4.594","","2.959","","90","","90","","90","","62.449","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Baur, W. H.","""Uber die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps: TiO~2~, SnO~2~, GeO~2~ und MgF~2~","Acta Crystallographica","1956","9","6","515","520","10.1107/S0365110X56001388","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007434","4.625","","4.625","","3.052","","90","","90","","90","","65.284","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Sellaite","- F2 Mg -","- F2 Mg -","- F4 Mg2 -","2","0.125","","Baur, W. H.","""Uber die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps: TiO~2~, SnO~2~, GeO~2~ und MgF~2~","Acta Crystallographica","1956","9","6","515","520","10.1107/S0365110X56001388","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007435","4.395","","4.395","","2.86","","90","","90","","90","","55.244","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Baur, W. H.","""Uber die Verfeinerung der Kristallstrukturbestimmung einiger Vertreter des Rutiltyps: TiO~2~, SnO~2~, GeO~2~ und MgF~2~","Acta Crystallographica","1956","9","6","515","520","10.1107/S0365110X56001388","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007436","8.88","","8.88","","9.1","","90","","90","","120","","621.438","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- H13 Mg O9 P -","- H13 Mg O9 P -","- H39 Mg3 O27 P3 -","3","0.333333","","Corbridge, D. E. C.","The crystal structure of magnesium phosphite hexahydrate, MgHPO3*6H2O","Acta Crystallographica","1956","9","","991","994","10.1107/S0365110X56002886","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:55",""
"9009724","8.712","","7.363","","14.023","","89.99","","90.36","","102.18","","879.259","","","","","","","","","","","","Heguri, Chiba Prefecture, Japan","4","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","Xonotlite","- Ca6 H2 O19 Si6 -","- Ca6 H2 O19 Si6 -","- Ca12 H4 O38 Si12 -","2","","","Kudoh, Y.; Takeuchi, Y.","Polytypism in xonotlite: (I) Structure of an A-1 polytype","Mineralogical Journal","1979","9","","349","373","10.2465/minerj.9.349","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9010677","4.86145","","10.5839","","6.1698","","90","","90","","90","","317.455","","","","293.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 20 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010678","4.86394","","10.5915","","6.1751","","90","","90","","90","","318.119","","","","373.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 100 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010679","4.86743","","10.6011","","6.18226","","90","","90","","90","","319.005","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 200 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010680","4.87189","","10.6134","","6.1905","","90","","90","","90","","320.094","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 300 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010681","4.8765","","10.6249","","6.19849","","90","","90","","90","","321.158","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 400 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010682","4.87826","","10.6312","","6.20213","","90","","90","","90","","321.653","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 450 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010683","4.88292","","10.6447","","6.21066","","90","","90","","90","","322.813","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 550 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010684","4.88544","","10.6499","","6.21456","","90","","90","","90","","323.34","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 600 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010685","4.88766","","10.6543","","6.21842","","90","","90","","90","","323.822","","","","923.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 650 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010686","4.89032","","10.6595","","6.22274","","90","","90","","90","","324.381","","","","973.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 700 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010687","4.89292","","10.6653","","6.227","","90","","90","","90","","324.953","","","","1023.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 750 degree C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010688","4.8957","","10.6711","","6.2309","","90","","90","","90","","325.518","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 800 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010689","4.89828","","10.6766","","6.2354","","90","","90","","90","","326.093","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 850 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010690","4.901","","10.6834","","6.2399","","90","","90","","90","","326.717","","","","1173.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 900 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010691","4.9041","","10.6899","","6.2441","","90","","90","","90","","327.343","","","","1223.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 950 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010692","4.9067","","10.6964","","6.2491","","90","","90","","90","","327.978","","","","1273.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 1000 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010693","4.8957","","10.671","","6.2316","","90","","90","","90","","325.551","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 800 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010694","4.885","","10.649","","6.2141","","90","","90","","90","","323.26","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 600 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010695","4.8824","","10.6432","","6.2103","","90","","90","","90","","322.714","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 550 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010696","4.8798","","10.6376","","6.206","","90","","90","","90","","322.149","","","","773.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 500 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010697","4.8776","","10.6325","","6.2019","","90","","90","","90","","321.637","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 450 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010698","4.8754","","10.626","","6.198","","90","","90","","90","","321.094","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 400 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010699","4.8671","","10.6043","","6.1828","","90","","90","","90","","319.108","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Data collected at ISIS, Rutherford Appleton Laboratory Sample: T = 200 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010700","4.81694","","10.474","","6.13964","","90","","90","","90","","309.761","","","","293.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 20 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010701","4.82397","","10.4977","","6.1515","","90","","90","","90","","311.516","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 200 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010702","4.82822","","10.5114","","6.1582","","90","","90","","90","","312.537","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 300 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010703","4.83184","","10.5276","","6.1653","","90","","90","","90","","313.615","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 400 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010704","4.83275","","10.5385","","6.1689","","90","","90","","90","","314.182","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 450 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010705","4.83551","","10.5439","","6.1727","","90","","90","","90","","314.716","","","","773.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 500 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010706","4.83884","","10.5478","","6.17606","","90","","90","","90","","315.221","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 550 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010707","4.8423","","10.5515","","6.1795","","90","","90","","90","","315.732","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 600 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010708","4.8459","","10.5566","","6.183","","90","","90","","90","","316.299","","","","923.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 650 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010709","4.8495","","10.561","","6.1873","","90","","90","","90","","316.886","","","","973.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 700 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010710","4.853","","10.5664","","6.1908","","90","","90","","90","","317.456","","","","1023.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 750 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010711","4.8657","","10.5893","","6.2066","","90","","90","","90","","319.791","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 800 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010712","4.8592","","10.5772","","6.1988","","90","","90","","90","","318.598","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 850 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010713","4.8628","","10.5827","","6.2022","","90","","90","","90","","319.175","","","","1173.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 900 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010714","4.8657","","10.5894","","6.2066","","90","","90","","90","","319.794","","","","1223.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 950 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010715","4.8691","","10.5954","","6.2114","","90","","90","","90","","320.447","","","","1273.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 1000 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010983","9.06","","9.06","","8.27","","90","","90","","120","","587.885","","","","","","","","","","","","Synthetic","4","P 3 1 m","P 3 -2","157","","","Hydrocerussite","- C2 H2 O8 Pb3 -","- C2 H2 O8 Pb3 -","- C6 H6 O24 Pb9 -","3","0.5","","Cowley, J. M.","Electron-diffraction study of the structure of basic lead carbonate, 2PbCO3*Pb(OH)2","Acta Crystallographica","1956","9","","391","396","10.1107/S0365110X56001133","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010984","3.6474","","3.6474","","5.7306","","90","","90","","120","","66.023","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Yttrium","","","- Y -","- Y -","- Y2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.4% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010985","3.309","","3.309","","5.2733","","90","","90","","120","","50.004","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Scandium","","","- Sc -","- Sc -","- Sc2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.6% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010986","3.77","","3.77","","12.159","","90","","90","","120","","149.662","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Lanthanum","","Lanthanum","- La -","- La -","- La2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010987","5.1612","","5.1612","","5.1612","","90","","90","","90","","137.484","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Cerium","","","- Ce -","- Ce -","- Ce4 -","4","0.0208333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010988","3.6725","","3.6725","","11.8354","","90","","90","","120","","138.241","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Praseodymium","","Praseodymium","- Pr -","- Pr -","- Pr2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010989","3.6579","","3.6579","","11.7992","","90","","90","","120","","136.725","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Neodymium","","Neodymium","- Nd -","- Nd -","- Nd2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010990","4.606","","4.606","","4.606","","90","","90","","90","","97.717","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Europium","","","- Eu -","- Eu -","- Eu2 -","2","0.0208333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 98-99% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010991","3.636","","3.636","","5.7826","","90","","90","","120","","66.207","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Gadolinium","","Gadolinium","- Gd -","- Gd -","- Gd2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.7% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010992","3.601","","3.601","","5.6936","","90","","90","","120","","63.939","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Terbium","","","- Tb -","- Tb -","- Tb2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010993","3.5903","","3.5903","","5.6475","","90","","90","","120","","63.045","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Dysprosium","","Dysprosium","- Dy -","- Dy -","- Dy2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010994","3.5773","","3.5773","","5.6158","","90","","90","","120","","62.238","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Holmium","","","- Ho -","- Ho -","- Ho2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.4% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010995","3.5588","","3.5588","","5.5874","","90","","90","","120","","61.284","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Erbium","","","- Er -","- Er -","- Er2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.8% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010996","3.5375","","3.5375","","5.5546","","90","","90","","120","","60.197","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Thulium","","","- Tm -","- Tm -","- Tm2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010997","5.4862","","5.4862","","5.4862","","90","","90","","90","","165.126","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Ytterbium","","","- Yb -","- Yb -","- Yb4 -","4","0.0208333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010998","3.5031","","3.5031","","5.5509","","90","","90","","120","","58.993","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lutetium","","","- Lu -","- Lu -","- Lu2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.9% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010999","3.621","","3.621","","26.25","","90","","90","","120","","298.069","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Samarium","","","- Sm -","- Sm -","- Sm2 -","2","0.0833333","","Spedding, F. H.; Daane, A. H.; Herrmann, K. W.","The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99% pure","Acta Crystallographica","1956","9","","559","563","10.1107/S0365110X5600156X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011000","3.767","","3.767","","6.154","","90","","90","","120","","75.627","","","","5","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Sodium","","","- Na -","- Na -","- Na2 -","2","0.0833333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011001","4.225","","4.225","","4.225","","90","","90","","90","","75.419","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Sodium","","","- Na -","- Na -","- Na2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 5 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011002","4.235","","4.235","","4.235","","90","","90","","90","","75.956","","","","78","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Sodium","","Sodium","- Na -","- Na -","- Na2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Sample: at T = 78 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011003","3.111","","3.111","","5.093","","90","","90","","120","","42.688","","","","78","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Lithium","","","- Li -","- Li -","- Li2 -","2","0.0833333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011004","3.491","","3.491","","3.491","","90","","90","","90","","42.545","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Lithium","","","- Li -","- Li -","- Li2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011005","5.225","","5.225","","5.225","","90","","90","","90","","142.646","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Potassium","","","- K -","- K -","- K2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011006","5.236","","5.236","","5.236","","90","","90","","90","","143.549","","","","66","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Potassium","","Potassium","- K -","- K -","- K2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Sample: at T = 66 K","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011007","5.247","","5.247","","5.247","","90","","90","","90","","144.455","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Potassium","","","- K -","- K -","- K2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 3 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011008","5.585","","5.585","","5.585","","90","","90","","90","","174.209","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Rubidium","","","- Rb -","- Rb -","- Rb2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011009","5.605","","5.605","","5.605","","90","","90","","90","","176.087","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Rubidium","","","- Rb -","- Rb -","- Rb2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 2 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011010","6.045","","6.045","","6.045","","90","","90","","90","","220.897","","","","5","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Cesium","","","- Cs -","- Cs -","- Cs2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 4 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011011","6.067","","6.067","","6.067","","90","","90","","90","","223.317","","","","78","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Cesium","","","- Cs -","- Cs -","- Cs2 -","2","0.0208333","","Barrett, C. S.","X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values","Acta Crystallographica","1956","9","","671","677","10.1107/S0365110X56001790","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011012","5.8","","5.8","","8.73","","90","","90","","90","","293.677","","","","","","","","","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","","","Cuprospinel","- Cu Fe2 O4 -","- Cu Fe2 O4 -","- Cu4 Fe8 O16 -","4","0.125","","Prince, E.; Treuting, R. G.","The structure of tetragonal copper ferrite Note: cell extrapolated from tetrahedra description","Acta Crystallographica","1956","9","","1025","1028","10.1107/S0365110X56002977","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011846","3.1","","4.02","","6.86","","90","","90","","90","","85.489","","","","","","","","","","","","Synthetic","2","P m m n :1","P 2 2ab -1ab","59","","","Vulcanite","- Cu Te -","- Cu Te -","- Cu2 Te2 -","2","0.25","","Baranova, R. V.; Pinsker, Z. G.","Study of the copper-tellurium system in thin films","Soviet Physics Crystallography","1964","9","","83","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011847","16.89","","7.01","","6.6","","90","","96.33","","90","","776.669","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","Sklodowskite","- H12 Mg O18 Si2 U2 -","- H12 Mg O18 Si2 U2 -","- H24 Mg2 O36 Si4 U4 -","2","0.25","","Mokeeva, V. I.","The structure of sklodowskite","Soviet Physics Crystallography","1964","9","","217","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9011848","13.28","","6.96","","6.74","","90","","75.75","","90","","603.802","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Kasolite","- O6 Pb Si U -","- O6 Pb Si U -","- O24 Pb4 Si4 U4 -","4","1","","Mokeeva, V. I.","The crystal structure of kasolite","Soviet Physics Crystallography","1965","9","","621","622","10.1070/PU1967v009n04ABEH003016","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012057","7.766","","7.766","","5.615","","90","","90","","120","","293.275","","","","","","","","","","","","Synthetic","2","P 3 1 c","P 3 -2c","159","","","Nierite","- N3.99 Si2.925 -","- N3.99 Si2.925 -","- N15.96 Si11.7 -","4","0.666667","","Kohatsu, I.; McCauley, J. W.","Re-examination of the crystal structure of alpha-Si3N4","Materials Research Bulletin","1974","9","","917","920","10.1016/0025-5408(74)90170-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012058","4.953","","8.477","","7.21","","90","","90","","90","","302.723","","","","","","","","","","","","Synthetic","4","P m c n","-P 2n 2a","62","","","Kozoite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C4 H4 Nd4 O16 -","4","0.5","","Dexpert, H.; Caro, P.","Determination de la structure cristalline de la variete a des hydroxycarbonates de terres rares LnOHCO3(Ln=Nd)","Materials Research Bulletin","1974","9","","1577","1586","10.1016/0025-5408(74)90106-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012798","7.468","","8.953","","5.941","","90","","90","","90","","397.221","","","","","","","","","","","","Langban, Sweden","6","P 21 21 21","P 2ac 2ab","19","","","Adelite","- As0.931 Ca H Mg O5 P0.069 -","- As0.9312 Ca H Mg O5 P0.0688 -","- As3.7248 Ca4 H4 Mg4 O20 P0.2752 -","4","1","","Effenberger, H.; Krause, W.; Bernhardt, H. J.","Structural investigations of adelite and cobaltaustinite, two members of the adelite-descloizite group","Experimental Mineralogy, Petrology and Geochemistry Abstract Volume","2002","9","","30","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012837","7.9997","","6.726","","7.9693","","90","","103.8","","90","","416.419","","","","","","","","","","","","Synthetic","4","P 1 2/c 1","-P 2yc","13","","","Hexahydroborite","- B2 Ca H12 O10 -","- B2 Ca H12 O10 -","- B4 Ca2 H24 O20 -","2","0.5","","Ozol, Y.; Vimba, S.; Ievins, A.","The crystal structure of calcium monoborate Ca[B(OH)4]2*2H2O","Soviet Physics","1964","9","","22","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013141","11.602","","16.461","","5.523","","90","","90","","90","","1054.79","","","","","","","","","","","","","3","A e m 2","A 2 -2b","39","","","Smirnite","- Bi2 O5 Te -","- Bi2 O5 Te -","- Bi16 O40 Te8 -","8","1","","Mercurio, D.; El Farissi, M.; Frit, B.; Goursat, P.","Etude structurale et densification d'un nouveau materiau piezoelectrique: Bi2TeO5 Locality: synthetic","Materials Chemistry and Physics","1983","9","","467","476","10.1016/0254-0584(83)90073-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014081","9.79","","11.01","","4.63","","90","","90","","90","","499.058","","","","","","","","","","","","Vishnevye Hills, USSR","4","P n 21 a","P -2ac -2n","33","","","Barylite","- Ba Be2 O7 Si2 -","- Ba Be2 O7 Si2 -","- Ba4 Be8 O28 Si8 -","4","1","","Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V.","Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD","Soviet Physics Crystallography","1965","9","","691","699","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9016140","13.77","","20.18","","5.109","","90","","90","","90","","1419.68","","","","","","","","","","","","west of Tomata, eastern Central Celebes, Indonesia","5","C c c b :1","C 2 2 -1ac","68","","","Ferrocarpholite","- Al2 Fe H4 O10 Si2 -","- Al2 Fe H4 O10 Si2 -","- Al16 Fe8 H32 O80 Si16 -","8","","","MacGillavry, C. H.; Korst, W. L.; Weichel Moore, E. J.; van der Plas, H. J.","The crystal structure of ferrocarpholite","Acta Crystallographica","1956","9","","773","776","10.1107/S0365110X56002126","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017764","9.7583","","9.7583","","53.687","","90","","90","","120","","4427.39","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","R -3 :H","-R 3","148","","","Scordariite","- Fe6.66 H34 K7.5 Na0.5 O67 S12 -","- Fe6.66 H34 K7.5002 Na0.5 O67 S12 -","- Fe19.98 H102 K22.5006 Na1.5 O201 S36 -","3","0.166667","","Biagioni, C.; Bindi, L.; Mauro, D.; Halenius; U","Crystal chemistry of sulfates from the Apuan Alps (Tuscany, Italy). V. Scordariite, K8(Fe3+0.67[]0.33)[Fe3+3O(SO4)6(H2O)3]2(H2O)11: A new metavoltine-related mineral","Minerals","2019","9","","","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017765","7.5491","","16.8652","","12.1574","","90","","94.064","","90","","1543.95","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Italy","6","C 1 2/c 1","-C 2yc","15","","","Magnanelliite","- Al0.156 Fe1.844 H5 K3 O19 S4 -","- Al0.156 Fe1.844 H5 K3 O19 S4 -","- Al0.624 Fe7.376 H20 K12 O76 S16 -","4","0.5","","Biagioni, C.; Bindi, L.; Kampf, A. R.","Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VII. Magnanelliite, K3Fe3+2(SO4)4 (OH)(H2O)2, a new sulfate from the Monte Arsiccio mine","Minerals","2019","9","","","779","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""