# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-13T20:48:38+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 3 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
"1000179","5.372","0.002","5.372","0.002","5.372","0.002","58.85","0.05","58.85","0.05","58.85","0.05","106.7","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Sodium iron fluoride (.11/1/3)","","- F3 Fe Na0.11 -","- F3 Fe Na0.11 -","- F6 Fe2 Na0.22 -","2","0.166667","","de Pape, R; Tressaud, A; Portier, J","Sur de nouvelles series de bronzes fluores de composition M~x~ Fe F~3~ (M = Na, Rb, Tl)","Materials Research Bulletin","1968","3","","753","758","10.1016/0025-5408(68)90043-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001452","3.8128","0.0001","3.8806","0.0002","11.6303","0.0005","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001453","3.8124","0.0002","3.8807","0.0002","11.6303","0.0005","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001454","3.8131","0.0001","3.8806","0.0002","11.6329","0.0005","90","","90","","90","","172.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001455","3.8141","0.0001","3.8812","0.0002","11.6395","0.0005","90","","90","","90","","172.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001456","3.8164","0.0002","3.8824","0.0002","11.6546","0.0005","90","","90","","90","","172.7","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001457","3.8206","0.0001","3.8851","0.0001","11.6757","0.0004","90","","90","","90","","173.3","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/7)","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R","Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction","Europhysics Letters","1987","3","","1301","1307","10.1209/0295-5075/3/12/009","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004071","3.971","0.001","3.971","0.001","28.41","0.01","90","","90","","120","","388","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","BISMUTH STRONTIUM OXIDE (1.7/0.5/3)","","- Bi1.72 O3 Sr0.53 -","- Bi1.72125 O3 Sr0.5295 -","- Bi6.885 O12 Sr2.118 -","4","0.111111","","Boivin, J C; Thomas, D J","Structural investigations on bismuth-based oxides","Solid State Ionics","1981","3","","457","462","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005034","10.0565","0.0002","10.0565","0.0002","10.0565","0.0002","90","","90","","90","","1017","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium nickel sulfide (6/25/27)","","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","1","0.0208333","","Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R","Structure and properties of Ba6 Ni25 S27","Chemistry - A European Journal","1997","3","11","1884","1889","10.1002/chem.19970031121","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006040","13.7546","0.0014","6.1406","0.0005","10.3343","0.0012","90","","104.23","0.005","90","","846.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium tetrafluoromanganate(III) hydrate","","- F4 H2 K Mn O -","- F4 H2 K Mn O -","- F32 H16 K8 Mn8 O8 -","8","1","","Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J","Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K)","Journal of Physics: Condensed Matter","1991","3","","2379","2390","10.1088/0953-8984/3/14/017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006041","13.8323","0.0004","6.4285","0.0002","10.4837","0.0003","90","","103.98","0.002","90","","904.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rubidium tetrafluoromanganate(III) hydrate","","- F4 H2 Mn O Rb -","- F4 H2 Mn O Rb -","- F32 H16 Mn8 O8 Rb8 -","8","1","","Palacio, F; Andres, M; Rodriguez-Carvajal, J; Pannetier, J","Magnetic structures of the MnIII weak ferromagnets AMnF~4~.H~2~O (A=Rb and K)","Journal of Physics: Condensed Matter","1991","3","","2379","2390","10.1088/0953-8984/3/14/017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006042","5.4618","0.0005","5.4967","0.0005","12.561","0.002","90","","90","","90","","377.1","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006043","5.4995","0.0001","5.4995","0.0001","12.5052","0.0002","90","","90","","90","","378.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","0.25","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006044","5.4419","0.0001","5.5364","0.0001","12.4896","0.0002","90","","90","","90","","376.3","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006045","5.4499","0.0002","5.5275","0.0002","12.5118","0.0003","90","","90","","90","","376.9","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006047","5.45514","0.00004","5.45514","0.00004","12.6461","0.0001","90","","90","","90","","376.3","","","","","","","","","","","","","3","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum nickel oxide (2/1/4.2)","","- La2 Ni O4.15 -","- La2 Ni O4.1512 -","- La8 Ni4 O16.6048 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1006048","5.4897","0.0003","5.4897","0.0003","12.5708","0.0007","90","","90","","90","","378.8","","","","","","","","","","","","","3","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","Lanthanum nickel oxide (2/1/4.1)","","- La2 Ni O4.1 -","- La2 Ni O4.1 -","- La8 Ni4 O16.4 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1006049","5.3671","0.0001","33.9719","0.0006","24.0722","0.0004","90","","90","","90","","4389.1","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/7.9/5/19.1)","","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi32 Cu40 O152.48 Sr62.88 -","8","0.25","","Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A","Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~","Chemistry of Materials (1,1989-","1991","3","5","844","852","10.1021/cm00017a020","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006097","5.6262","0.0006","7.8396","0.0008","5.5702","0.0006","90","","90","","90","","245.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilanthanum copper titanium oxide","","- Cu La2 O6 Ti -","- Cu0.992 La2 O6 Ti1.008 -","- Cu1.984 La4 O12 Ti2.016 -","2","0.25","","Palacin, M R; Bassas, J; Rodriguez-Carvajal, J; Gomez-Romero, P","Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction","Journal of Materials Chemistry","1993","3","3","1171","1177","10.1039/jm9930301171","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008258","3.796","0.003","3.796","0.003","12.447","0.005","90","","90","","90","","179.4","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008259","3.799","0.003","3.799","0.003","12.454","0.005","90","","90","","90","","179.7","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008260","3.806","0.003","3.806","0.003","12.5","0.005","90","","90","","90","","181.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008261","3.807","0.003","3.807","0.003","12.52","0.005","90","","90","","90","","181.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM COBALT(III) OXIDE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008262","3.811","0.003","3.811","0.003","12.554","0.005","90","","90","","90","","182.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM(III) COBALT(III) oxide","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008263","3.817","0.003","3.817","0.003","12.6","0.005","90","","90","","90","","183.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM TETRAOXOCOBALTATE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008264","3.824","0.003","3.824","0.003","12.659","0.005","90","","90","","90","","185.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM TETRAOXOCOBALTATE","","- Co La O4 Sr -","- Co La O4 Sr -","- Co2 La2 O8 Sr2 -","2","0.0625","","Demazeau, G; Courbin, P; le, Flem G; Pouchard, M; Hagenmueller, P; Soubeyroux, J L; Main, I G; Robins, G A","Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent","Nouveau Journal de Chimie","1979","3","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008481","3.7793","0.0006","3.7793","0.0006","13.2","0.003","90","","90","","90","","188.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Lanthanum strontium copper oxide (1.8/.2/1/4)","","- Cu La1.85 O4 Sr0.15 -","- Cu La1.85 O4 Sr0.15 -","- Cu2 La3.7 O8 Sr0.3 -","2","0.0625","","Decroux, M; Junod, A; Bezinge, A; Cattani, D; Cors, J; Jorda, L; Stettler, A; Francois, M; Yvon, K; Fischer, O; Muller, J","Structure, Resistivity, Critical Field, Specific-Heat Jump at T~c~, Meissner Effect, a.c. and d.c. Susceptibility of the High-Temperature Superconductor La~2-x~ Sr~x~ Cu O~4~.","Europhysics Letters","1987","3","","1035","1040","10.1209/0295-5075/3/9/012","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010325","3.31","","4.38","","10.5","","90","","90","","90","","152.2","","","","","","","","","","","","","1","B m a b","-B 2ab 2","64","","Phosphorus - black","","- P -","- P -","- P8 -","8","","","Hultgren, R; Gingrich, N S; Warren, B E","The Atomic Distribution in Red and Black Phosphorus and the Crystal Structure of Black Phosphorus","Journal of Chemical Physics","1935","3","","351","355","10.1063/1.1749671","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010328","8.56","","8.56","","6.12","","90","","90","","90","","448.4","","88.15","","","","","","","","","","","1","P 42/n c m :1","P 4n 2ab -1n","138","","Dichlorine","","- Cl2 -","- Cl2 -","- Cl16 -","8","0.5","","Keesom, Willem Hendrik; Taconis, Krijn Wijbren","On the crystal structure of chlorine","Physica (The Hague) (1,1934-17,1951)","1936","3","","237","242","10.1016/S0031-8914(36)80226-2","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010517","15.841","0.02","15.841","0.02","18.005","0.02","90","","90","","90","","4518.1","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Potassium hexachlorothallate dihydrate","","- Cl6 H4 K3 O2 Tl -","- Cl6 H4 K3 O2 Tl -","- Cl84 H56 K42 O28 Tl14 -","14","0.4375","","Hoard, J L; Goldstein, L","The Structure of Potassium Hexachlorothalliate Dihydrate","Journal of Chemical Physics","1935","3","","645","649","10.1063/1.1749568","","","","","","","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1010518","16.95","","16.95","","19.45","","90","","90","","90","","5588","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Rubidium hexabromothallate 1.143-hydrate","","- Br6 H2.286 O1.143 Rb3 Tl -","- Br6 H2.28571 O1.14286 Rb3 Tl -","- Br84 H32 O16 Rb42 Tl14 -","14","0.4375","","Hoard, J L; Goldstein, L","The Structure of Potassium Hexachlorothalliate Dihydrate","Journal of Chemical Physics","1935","3","","645","649","10.1063/1.1749568","","","","","","","","","","","","","","","","","","","","","has coordinates","186639","2020-10-21","18:00:00",""
"1010604","4.76","","4.76","","4.76","","90","","90","","90","","107.9","","","","","","","","","","","","","2","P n -3 :1","P 2 2 3 -1n","201","","Silver oxide","","- Ag2 O -","- Ag2 O -","- Ag4 O2 -","2","0.0833333","","Wyckoff, R W G","The Crystal Structure of Silver Oxide (Ag~2~ O)","American Journal of Science, Serie 5(1,1921-1938)","1922","3","","184","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010844","7.37","","7.37","","8.91","","90","","90","","120","","419.1","","","","","","","","","","","","","3","","","","","Tricaesium diarsenic chloride","","- As2 Cl9 Cs3 -","","","1","","","Hoard, J L; Goldstein, L","The structure of Caesium Enneachlordiarsenite","Journal of Chemical Physics","1935","3","","117","122","10.1063/1.1749606","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010847","20.3","0.06","6.76","0.03","13.53","0.05","90","","118.3","","90","","1634.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Samarium(II) sulfate octahydrate","","- H16 O12 S Sm -","","","4","0.5","","Zachariasen, W H","Note on the Crystal Lattice of Samarium Sulphate Octo-Hydrate","Journal of Chemical Physics","1935","3","","197","198","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1010869","9.58","","9.58","","9.58","","83.8","","83.8","","83.8","","864.8","","","","","","","","","","","","","3","R -3 c RS","","167","","Caesium nonachlorodithallate","","- Cl9 Cs3 Tl2 -","- Cl9 Cs3 Tl2 -","- Cl18 Cs6 Tl4 -","2","","","Hoard, J L; Goldstein, L","The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~","Journal of Chemical Physics","1935","3","","199","202","10.1063/1.1749633","","","","","","","","","","","","","","","","","","","","","has coordinates","277832","2022-09-14","15:07:16",""
"1010974","4.144","0.001","4.144","0.001","4.144","0.001","90","","90","","90","","71.2","","","","","","","","","","","","synthetic at 1373 K","2","F m -3 m","-F 4 2 3","225","","Chromium nitride","Carlsbergite","- Cr N -","- Cr N -","- Cr4 N4 -","4","0.0208333","","Blix, R","Roentgenanalyse des Chrom-Stickstoffsystems nebst einer orientierten Konstitutionsuntersuchung des stickstoffhaltigen Ferrochroms","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","3","","229","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010978","5.3437","0.0035","5.3437","0.0035","5.3437","0.0035","90","","90","","90","","152.6","","","","","","","","","","","","synthetic","2","F m -3 m","-F 4 2 3","225","","Potassium fluoride","Carobbiite","- F K -","- F K -","- F4 K4 -","4","0.0208333","","Broch, E; Oftedal, I; Pabst, A","Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1929","3","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1011025","4.59","","4.59","","7.52","","90","","90","","120","","137.2","","","","","","","","","","","","","2","P 63 m c S","","186","","Silver iodide","Iodargyrite","- Ag I -","- Ag I -","- Ag2 I2 -","2","","","Helmholz, L","The Crystal Structure of Hexagonal Silver Iodide","Journal of Chemical Physics","1935","3","","740","747","10.1063/1.1749584","","","","","","","","","","","","","","","","","","","","","has coordinates","120071","2020-10-21","18:00:00",""
"1011026","3.87","","12.51","","3.06","","90","","90","","90","","148.1","","","","","","","","","","","","from Eiserfeld, Westerwald, Germany","3","A m a m","-A 2 2a","63","","Iron(III) oxide hydroxide","Lepidocrocite","- Fe H O2 -","- Fe H2 O2 -","- Fe4 H8 O8 -","4","0.25","","Ewing, F J","The Crystal Structure of Lepidocrocite","Journal of Chemical Physics","1935","3","","420","424","10.1063/1.1749692","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1011027","4.4","","9.39","","2.84","","90","","90","","90","","117.3","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Ewing, F J","The Crystal Structure of Diaspore","Journal of Chemical Physics","1935","3","","203","207","10.1063/1.1749634","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011160","10.48","","12.92","","24.54999","","90","","90","","90","","3324.1","","","","","","","","","","","","synthetic","1","F d d d :1","F 2 2 -1d","70","Sulfur","Octasulfur - $-alpha","Sulfur","- S8 -","- S8 -","- S128 -","16","0.5","","Warren, B E; Burwell, J T","The structure of rhombic sulphur","Journal of Chemical Physics","1935","3","","6","8","10.1063/1.1749557","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:57",""
"1100249","7.2624","0.0004","8.541","0.0005","30.4681","0.0018","90","","90","","90","","1889.88","","","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Neomenthyloxycarbonyl-7-azatricyclo(4.2.2.1^2,5^)undec-3,9-dien-8-one","","- C21 H29 N O3 -","- C21 H29 N O3 -","- C84 H116 N4 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","Enantioselective Photochemical Reactions of 2-Pyridones in Solution","Organic Letters","2001","3","4","601","603","10.1021/ol007004t","","","","","","","3.44","","","3.44","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1500045","6.5744","0.0001","19.604","0.0004","13.4362","0.0002","90","0.001","92.7382","0.0012","90","","1729.74","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(dcbpy)(CO)2Br2.(H2O)","","","- C14 H10 Br2 N2 O7 Ru -","- C14 H10 Br2 N2 O7 Ru -","- C56 H40 Br8 N8 O28 Ru4 -","4","1","","Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko","Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]","Physical Chemistry Chemical Physics","2001","3","11","1992","","10.1039/b100659m","","","0.71073","MoKα","","0.0256","0.0234","","","0.0612","0.0626","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507245","7.6345","0.001","8.1774","0.0011","8.9355","0.0012","89.56","0.002","71.295","0.002","80.065","0.002","519.78","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1,4,5,8-Naphthaldiimide","1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5 diimide","","- C14 H6 N2 O4 -","- C14 H6 N2 O4 -","- C28 H12 N4 O8 -","2","1","","Keeling, D. L.; Oxtoby, N. S.; Wilson, C.; Humphry, M. J.; Champness, N. R.; Beton, P. H.","Assembly and Processing of Hydrogen Bond Induced Supramolecular Nanostructures","Nano Letters","2003","3","1","9","","10.1021/nl025821b","","","0.71073","MoKα","","0.0935","0.0437","","","0.0843","0.0983","","","","","","0.874","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507500","8.712","0.001","12.524","0.002","8.438","0.001","90","","117.2","0.1","90","","818.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N5 -","- C7 H9 N5 -","- C28 H36 N20 -","4","1","","Pedireddi, V. R.; Ranganathan, Anupama; Ganesh, Krishna N.","Cyanurate Mimics of Hydrogen-Bonding Patterns of Nucleic Bases: Crystal Structure of a 1:1 Molecular Complex of 9-Ethyladenine andN-Methylcyanuric Acid","Organic Letters","2001","3","1","99","","10.1021/ol006811p","","","0.71073","MoKα","","0.1171","0.0665","","0.1785","0.1423","","","","1.136","1.23","1.23","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507501","6.15","0.001","10.433","0.001","14.725","0.002","74.73","0.01","87.33","0.01","86.8","0.01","909.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C40 H40 Cl2 N2 O4 S2 -","2","1","","Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T.","Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions","Organic Letters","2001","3","3","369","","10.1021/ol006863e","","","0.71073","MoKα","","0.0411","0.0358","","","0.0909","0.0946","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507502","12.398","0.003","9.766","0.003","16.128","0.003","90","","95.65","0.02","90","","1943.3","0.8","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 S -","- C21 H22 Cl N O2 S -","- C84 H88 Cl4 N4 O8 S4 -","4","2","","Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T.","Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions","Organic Letters","2001","3","3","369","","10.1021/ol006863e","","","0.71073","MoKα","","0.0503","0.0432","","0.1151","0.1056","","","","1.037","1.054","1.054","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507503","13.0629","0.0015","5.3745","0.0006","17.45","0.002","90","","99.449","0.002","90","","1208.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-benzamidoacetophenone","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Mandel, Sarah M.; Krause Bauer, Jeanette A.; Gudmundsdottir, Anna D.","Photolysis of α-Azidoacetophenones: Trapping of Triplet Alkyl Nitrenes in Solution","Organic Letters","2001","3","4","523","","10.1021/ol0068750","","","0.71073","MoKα","","0.1252","0.0582","","","0.1213","0.1489","","","","","","1.155","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507504","15.8166","0.0004","15.9376","0.0002","16.5142","0.0006","68.705","0.002","66.989","0.001","67.819","0.002","3432.7","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H81 Cl3 N6 O9 -","- C70 H76 Cl3 N6 O9 -","- C140 H152 Cl6 N12 O18 -","2","1","","Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain","Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes","Organic Letters","2001","3","2","267","","10.1021/ol0069148","","","0.71073","MoKα","","0.2635","0.1206","","0.3999","0.295","","","","1.014","1.275","1.275","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507505","17.264","0.002","29.223","0.003","28.645","0.003","90","","95.776","0.004","90","","14378","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H84 N6 O9 -","- C71 H88 N6 O9 -","- C568 H704 N48 O72 -","8","1","","Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain","Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes","Organic Letters","2001","3","2","267","","10.1021/ol0069148","","","0.71073","MoKα","","0.3265","0.12","","0.4491","0.3098","","","","1.033","1.324","1.324","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507506","10.0689","0.0013","10.0689","0.0013","30.962","0.005","90","","90","","120","","2718.5","0.7","213","2","213","2","","","","","","","","4","P 65","P 65","170","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C126 H156 N12 O12 -","6","1","","Myers, Andrew G.; Barbay, Joseph K.","On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates","Organic Letters","2001","3","3","425","","10.1021/ol006931x","","","0.71073","MoKα","","0.0603","0.0454","","","0.1026","0.1109","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507507","9.701","0.0002","15.335","0.0005","16.841","0.0005","90","","101.446","0.002","90","","2455.52","0.12","150.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-4'-phenyl-3,3,3',3'-tetrakis(trifluoromethyl)-3H- spiro[[2,1]benzoxaselenole-1λ4,1'-[1,2]-selenazetidine]","","- C25 H15 F12 N O Se -","- C25 H15 F12 N O Se -","- C100 H60 F48 N4 O4 Se4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Nakanishi, Nobuhito; Kawashima, Takayuki","Synthesis, Crystal Structure, and Thermolysis of the First Tetracoordinate 1λ4,2-Selenazetidines: Aziridine Formation Reaction from a Four-Membered Heterocycle Bearing Highly Coordinate Selenium","Organic Letters","2001","3","5","691","","10.1021/ol007015m","","","0.7107","MoKα","","","0.0392","","","","0.1178","","","","","","2.154","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507508","11.471","0.001","14.158","0.001","17.121","0.001","73.02","","89.26","","89.44","","2659.1","0.3","293","2","293","2","","","","","","","synthesized","3","P -1","-P 1","2","","12-hydroxy-16-oxatetracyclo(10.3.1.0[1,5]. 0[7,11])hexadec-7(11)ene-2,6-dione ?","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","4","","Ranganathan, Subramania; Muraleedharan, K. M.; Rao, CH. Chandrashekhar; Vairamani, M.; Karle, Isabella L.","One-Step Transformation of Tricyclopentabenzene (Trindane, C15H18) to Bicyclo(10.3.0)pentadec-1(12)ene- 2,6,7,11-tetrone (C15H18O4) and Its Aldol Product, 12-Hydroxy-16-oxatetracyclo(10.3.1.0.1,507,11)hexadec-7(11)ene-2,6-dione (C15H18O4)⊥","Organic Letters","2001","3","16","2447","","10.1021/ol010086g","","","1.54178","CuKα","","0.098","0.0607","","0.1725","0.1414","","","","1.009","1.044","1.044","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507509","23.455","0.003","8.073","0.003","5.524","0.002","90","","90","","90","","1046","0.6","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","diphenyldisulphide","diphenyldisulphide","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Shimizu, Toshio; Isono, Hiromi; Yasui, Masanori; Iwasaki, Fujiko; Kamigata, Nobumasa","Solid State Optical Activity of Dichalcogenides: Isolation by Chiral Crystallization and Determination of Absolute Configuration","Organic Letters","2001","3","23","3639","","10.1021/ol010172g","","","0.71073","MoKα","","0.0193","0.019","","","0.0551","0.0554","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507510","9.0192","0.0012","4.9332","0.0006","15.1987","0.0019","90","","106.981","0.002","90","","646.76","0.14","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br Cl O3 -","- C12 H12 Br Cl O3 -","- C24 H24 Br2 Cl2 O6 -","2","1","","Evans, David A.; Burch, Jason D.","Asymmetric Synthesis of the Chlorocyclopropane-Containing Callipeltoside A Side Chain","Organic Letters","2001","3","4","503","","10.1021/ol0155182","","","0.71073","MoKα","","0.0597","0.0393","","","0.0952","0.1046","","","","","","0.931","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507511","9.3178","0.0011","26.18","0.003","9.0683","0.001","90","","90.272","0.002","90","","2212.1","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","","Nelsen, Stephen F.; Li, Gaoquan; Konradsson, Asgeir","Twist-Dependent Electronic Coupling in an Organic Intervalence Radical Cation","Organic Letters","2001","3","10","1583","","10.1021/ol015874k","","","0.71073","MoKα","","0.079","0.0534","","","0.1318","0.145","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507512","9.8354","0.001","9.7459","0.0009","12.7953","0.0013","90","","92.642","0.002","90","","1225.2","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br2 O6 -","- C24 H25 Br2 O6 -","- C48 H50 Br4 O12 -","2","1","","Hu, Yongbo; Li, Chaomin; Kulkarni, Bheemashankar A.; Strobel, Gary; Lobkovsky, Emil; Torczynski, Richard M.; Porco, John A.","Exploring Chemical Diversity of Epoxyquinoid Natural Products: Synthesis and Biological Activity of (−)-Jesterone and Related Molecules","Organic Letters","2001","3","11","1649","","10.1021/ol0159367","","","0.71073","MoKα","","0.0571","0.0362","","","0.0737","0.0819","","","","","","0.867","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507513","8.653","0.001","10.035","0.002","12.381","0.002","102.262","0.012","110.021","0.011","103.18","0.01","932.6","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","de Armas, Pedro; García-Tellado, Fernando; Marrero-Tellado, José J.; Tejedor, David; Maestro, Miguel A.; Gonzalez-Platas, Javier","Alkynoates as a Source of Reactive Alkylinides for Aldehyde Addition Reactions","Organic Letters","2001","3","12","1905","","10.1021/ol015951b","","","0.71073","MoKα","","0.1349","0.0744","","0.2602","","0.2188","","","1.053","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507514","19.646","0.004","5.849","0.001","29.643","0.006","90","","101.67","0.03","90","","3335.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 S5 -","- C15 H12 N2 S5 -","- C120 H96 N16 S40 -","8","2","","Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben","A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate","Organic Letters","2001","3","12","1941","","10.1021/ol015990n","","","0.71073","MoKα","","0.0626","0.0384","","","0.1007","0.1082","","","","","","0.862","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507515","12.996","0.003","7.934","0.002","22.205","0.004","90","","109.62","0.03","90","","2156.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 N S4 -","- C9 H7 N S4 -","- C72 H56 N8 S32 -","8","1","","Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben","A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate","Organic Letters","2001","3","12","1941","","10.1021/ol015990n","","","0.71073","MoKα","","0.0409","0.0357","","","0.1062","0.1099","","","","","","1.132","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507516","12.105","0.001","12.145","0.004","13.547","0.002","74.72","0.02","66.281","0.008","81.38","0.02","1756.8","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H100 B4 O26 -","- C70 H60 B4 O26 -","- C70 H60 B4 O26 -","1","0.5","","Davis, Claude J.; Lewis, Patrick T.; Billodeaux, Damon R.; Fronczek, Frank R.; Escobedo, Jorge O.; Strongin, Robert M.","Solid-State Supramolecular Structures of Resorcinol−Arylboronic Acid Compounds","Organic Letters","2001","3","16","2443","","10.1021/ol0160194","","","0.71073","Mo-Kα","","0.151","0.084","","0.095","0.089","","","","3.931","3.697","3.697","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507517","10.6837","0.0004","6.2994","0.0003","18.8641","0.0008","90","","102.031","0.003","90","","1241.68","0.09","198.2","","198.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 N O5 S Si -","- C23 H37 N O5 S Si -","- C46 H74 N2 O10 S2 Si2 -","2","1","","Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.","Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements","Organic Letters","2001","3","13","2109","","10.1021/ol0160708","","","0.7107","MoKα","","0.0511","0.03","","0.0814","","0.039","","","1.221","","","1.221","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507518","21.9379","0.0008","13.6295","0.0004","23.4087","0.0008","90","","95.352","0.001","90","","6968.7","0.4","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O7 S -","- C24 H26 N2 O7 S -","- C288 H312 N24 O84 S12 -","12","3","","Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.","Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements","Organic Letters","2001","3","13","2109","","10.1021/ol0160708","","","0.7107","MoKα","","0.0724","0.038","","0.1043","","0.045","","","0.966","","","0.97","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507519","24.646","0.005","10.612","0.002","13.602","0.003","90","","90","","90","","3557.5","1.3","213","2","213","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H11 Cl3 O S3 -","- C16 H11 Cl3 O S3 -","- C128 H88 Cl24 O8 S24 -","8","","","Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S.","Synthesis and Crystal Structure of a Tubular Sexithiophene","Organic Letters","2001","3","13","2129","","10.1021/ol016122t","","","0.71073","MoKα","","0.1175","0.0749","","","0.2001","0.2329","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507520","8.1348","0.0004","12.0317","0.0005","20.4322","0.0009","90","","90","","90","","1999.81","0.16","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Harmata, Michael; Rashatasakhon, Paitoon","A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol","Organic Letters","2001","3","16","2533","","10.1021/ol016200c","","","0.71073","MoKα","","0.0472","0.0398","","","0.1058","0.1118","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507521","8.9084","0.0007","10.0653","0.0008","14.7694","0.0011","84.534","0.002","84.355","0.002","78.48","0.002","1287.45","0.17","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","","Loh, Teck-Peng; Hu, Qi-Ying; Tan, Kui-Thong; Cheng, Hin-Soon","Diverse Cyclization Catalyzed by In(OTf)3for the Convergent Assembly of Substituted Tetrahydrofurans and Tetrahydropyrans","Organic Letters","2001","3","17","2669","","10.1021/ol016228o","","","0.71073","MoKα","","0.0865","0.0566","","","0.1213","0.1309","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507522","6.4313","0.0001","11.6244","0.0001","22.4048","0.0003","90","","90","","90","","1674.98","0.04","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O5 S -","- C16 H26 O5 S -","- C64 H104 O20 S4 -","4","1","","Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L.","Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide","Organic Letters","2001","3","16","2563","","10.1021/ol016239h","","","0.71073","MoKα","","0.0566","0.0524","","","0.1425","0.1443","","","","","","1.135","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507523","15.01","0.003","9.2219","0.0016","20.202","0.004","90","","101.725","0.004","90","","2738","0.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","7,16-Diphenylfluorantheneo[8,9-k]fluoranthene","","- C42 H24 -","- C42 H24 -","- C168 H96 -","4","1","","Neudorff, Wolf Dietrich; Schulte, Niels; Lentz, Dieter; Schlüter, A. Dieter","8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs)","Organic Letters","2001","3","20","3115","","10.1021/ol016391j","","","0.71073","MoKα","","0.0732","0.0464","","","0.119","0.1302","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507524","7.926","0.0016","8.64","0.0017","26.257","0.005","90","","93.35","0.03","90","","1795","0.6","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 -","- C17 H23 N3 O5 -","- C68 H92 N12 O20 -","4","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.71073","MoKα","","0.0704","0.0508","","","0.1081","0.1169","","","","","","1.076","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507525","6.563","0.0004","10.748","0.0006","22.495","0.0012","90","","90","","90","","1586.78","0.16","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O5 -","- C14 H21 N3 O5 -","- C56 H84 N12 O20 -","4","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.71073","MoKα","","0.054","0.0435","","","0.0865","0.0897","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507526","29.928","0.004","9.445","0.001","18.951","0.003","90","","120.43","0.01","90","","4619","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 F3 N2 O8 -","- C20 H23.634 F3 N2 O8 -","- C160 H189.072 F24 N16 O64 -","8","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.7107","MoKα","","0.0705","0.0497","","","0.1181","0.1301","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507527","12.541","0.003","8.7123","0.0004","12.566","0.003","90","","118.02","0.03","90","","1212","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Br O4 -","- C11 H15 Br O4 -","- C44 H60 Br4 O16 -","4","1","","Runcie, Karen A.; Taylor, Richard J. K.","A Short and Efficient Route to Novel Scyphostatin Analogues","Organic Letters","2001","3","21","3237","","10.1021/ol0164132","","","0.71073","MoKα","","0.0541","0.0283","","","0.0666","0.0746","","","","","","1.032","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507528","7.069","0.0016","18.263","0.004","5.618","0.0017","90","","110.236","0.018","90","","680.5","0.3","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-diphenylcyclohexane ?","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Tukada, Hideyuki; Mochizuki, Katsura","Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation","Organic Letters","2001","3","21","3305","","10.1021/ol0165241","","","0.71073","MoKα","","0.0703","0.0638","","","0.1455","0.1483","","","","","","1.144","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507529","18.995","0.005","18.995","0.005","7.835","0.004","90","","90","","120","","2448.2","1.5","298","2","298","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,3-diphenyladamantane ?","","- C22 H24 -","- C22 H24 -","- C132 H144 -","6","1","","Tukada, Hideyuki; Mochizuki, Katsura","Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation","Organic Letters","2001","3","21","3305","","10.1021/ol0165241","","","0.71073","MoKα","","0.13","0.0579","","","0.1134","0.1436","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507530","12.5856","0.0012","9.9628","0.0015","20.218","0.002","90","","92.877","0.013","90","","2531.9","0.5","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl (5S^*^,7^*^,10S^*^)-6,13-diaza-3-hydroxy-5-(2-methylpropyl)-13- (phenoxycarbonyl)-pentacyclo[8.2.2.0^1,3^.0^2,7^.0^7,12^]tetradecane- 6-carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C120 H136 N8 O20 -","4","1","","Comins, Daniel L.; Williams, Alfred L.","Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine","Organic Letters","2001","3","20","3217","","10.1021/ol016556o","","","0.71073","MolybdenumKα","","0.055","0.054","","0.052","","0.051","","","","","","1.25","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507531","8.6581","0.0004","9.705","0.0004","16.1393","0.0008","100.945","0.006","94.908","0.006","97.909","0.004","1310.08","0.11","148","","148","","","","","","","","","4","P -1","-P 1","2","","phenyl (1S^*^,3S^*^,10S^*^)-2,8-diaza-3-(2-methylpropyl)-5-oxo-8- (phenoxycarbonyl)-tetracyclo[8.2.2.0^1,6^.0^7,12^]tetradecane-2- carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C60 H68 N4 O10 -","2","1","","Comins, Daniel L.; Williams, Alfred L.","Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine","Organic Letters","2001","3","20","3217","","10.1021/ol016556o","","","0.71073","MolybdenumKα","","0.04","0.039","","0.049","","0.049","","","","","","1.85","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507532","7.7074","0.0015","9.146","0.002","11.804","0.002","87.94","0.03","86.55","0.03","71.33","0.03","786.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0652","0.0456","","0.1349","0.1166","","","","1.054","1.102","1.102","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507533","9.512","0.002","10.731","0.002","16.012","0.004","90","","99.919","0.011","90","","1610","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0769","0.0596","","0.1539","0.1413","","","","1.109","1.155","1.155","","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507534","9.254","0.002","11.684","0.002","15.949","0.003","90","","97.13","0.03","90","","1711.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl4 N4 O4 -","- C36 H32 Cl4 N4 O4 -","- C72 H64 Cl8 N8 O8 -","2","0.5","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0403","0.0365","","0.096","0.0925","","","","1.046","1.065","1.065","","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507535","6.5976","0.0002","28.7405","0.0009","13.254","0.0004","90","","99.7669","0.0012","90","","2476.78","0.13","112","2","112","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cr O5 Si -","- C26 H28 Cr O5 Si -","- C104 H112 Cr4 O20 Si4 -","4","1","","Moser, William H.; Sun, Liangdong; Huffman, John C.","Synthesis and Reactivity of Silyl Vinylketenes: A Formal Interrupted Dötz Benzannulation with Unexpected Silyl Migration","Organic Letters","2001","3","21","3389","","10.1021/ol016615y","","","0.71073","MoKα","","","0.0253","","","","0.0283","","","","","","0.9148","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507536","43.138","0.013","9.07","0.002","8.544","0.002","90","","90","","90","","3342.9","1.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C136 H168 N8 O32 S8 -","8","1","","Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A.","1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations","Organic Letters","2001","3","21","3405","","10.1021/ol0166449","","","0.71069","MoKα","","0.139","0.078","","","0.221","0.2554","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507537","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Grainger, Richard S.; Procopio, Alberto; Steed, Jonathan W.","A Novel Recyclable Sulfur Monoxide Transfer Reagent","Organic Letters","2001","3","22","3565","","10.1021/ol016678g","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507538","15.356","0.0006","18.983","0.0005","19.335","0.0008","87.445","0.002","78.993","0.002","66.908","0.002","5086.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H72 O Se -","- C62 H72 O Se -","- C248 H288 O4 Se4 -","4","2","","Goto, Kei; Nagahama, Michiko; Mizushima, Tadashi; Shimada, Keiichi; Kawashima, Takayuki; Okazaki, Renji","The First Direct Oxidative Conversion of a Selenol to a Stable Selenenic Acid: Experimental Demonstration of Three Processes Included in the Catalytic Cycle of Glutathione Peroxidase","Organic Letters","2001","3","22","3569","","10.1021/ol016682s","","","0.71069","MoKα","","0.0664","0.0545","","","0.1467","0.1552","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507539","7.0591","0.0017","7.3739","0.0019","18.791","0.005","90","0.004","97.983","0.004","90","0.004","968.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Parker, Kathlyn A.; Mindt, Thomas L.","Electrocyclic Ring Closure of the Enols of Vinyl Quinones. A2H-Chromene Synthesis","Organic Letters","2001","3","24","3875","","10.1021/ol0167199","","","0.71073","MoKα","","0.0645","0.0488","","","0.1181","0.1261","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507540","13.5","","14.009","","25.886","","90","","94.64","","90","","4879.56","","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C208 H288 N16 O16 -","8","2","","Clayden, Jonathan; Lund, Andrew; Youssef, Latifa H.","Conformational Preference and Remote (1,10) Stereocontrol in Biphenyl-2,2‘-dicarboxamides","Organic Letters","2001","3","26","4133","","10.1021/ol0167457","","","0.71069","MoKα","","0.0514","0.0405","","","0.1203","0.1287","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507541","11.758","0.001","12.186","0.001","13.172","0.001","90","","91.495","0.01","90","","1886.7","0.3","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Grossman, Robert B.; Rasne, Ravindra M.","Short Total Syntheses of Both the Putative and Actual Structures of the Clerodane Diterpenoid (±)-Sacacarin by Double Annulation","Organic Letters","2001","3","25","4027","","10.1021/ol016748j","","","0.71073","MoKα","","0.0641","0.0426","","","0.0929","0.1004","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507542","7.636","0.001","11.124","0.002","14.903","0.003","71.179","0.01","79.323","0.01","78.471","0.01","1164","0.4","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","6'-hydroxy-4',4,6-trimethylpyrimidin-2,2'-ylamine","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","2","","Söntjens, Serge H. M; Meijer, Joris T.; Kooijman, Huub; Spek, Anthony L.; van Genderen, Marcel H. P.; Sijbesma, Rint P.; Meijer, E. W.","A Multiple Hydrogen-Bond Scaffold Based on Dipyrimidin-2-ylamine","Organic Letters","2001","3","24","3887","","10.1021/ol016750a","","","0.71073","MoKa","","0.0805","0.0459","","","0.1066","0.12","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507543","14.8775","0.001","8.8583","0.0005","11.1192","0.0007","90","","111.004","0.003","90","","1368.02","0.15","120","2","120","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 O6 S -","- C12 H14 N2 O6 S -","- C48 H56 N8 O24 S4 -","4","0.5","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","1.5418","CuKα","","0.1165","0.1151","","","0.2905","0.2944","","","","","","1.447","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507544","8.3003","0.0005","13.8825","0.0008","11.6167","0.0007","90","","97.16","0.003","90","","1328.14","0.14","118","2","118","2","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C25 H45 N3 O4 S -","- C25 H45 N3 O4 S -","- C50 H90 N6 O8 S2 -","2","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","1.5418","CuKα","","0.0518","0.0508","","","0.1301","0.1311","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507545","14.1","0.006","11.223","0.005","11.773","0.005","90","","93.343","0.008","90","","1859.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 N2 O6 S -","- C16 H22 N2 O6 S -","- C64 H88 N8 O24 S4 -","4","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","0.71073","MoKα","","0.0636","0.0594","","","0.1696","0.1761","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507928","17.8247","0.0005","11.4245","0.0003","35.8766","0.0012","90","","90","","90","","7305.8","0.4","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C44 H35 Cl Fe Ir N O4 P2 -","- C44 H35 Cl Fe Ir N O4 P2 -","- C352 H280 Cl8 Fe8 Ir8 N8 O32 P16 -","8","2","","Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J.","Iridium-catalysed direct C-C coupling of methanol and allenes.","Nature chemistry","2011","3","4","287","290","10.1038/nchem.1001","","","0.71069","MoKα","","0.0959","0.0761","","","0.1271","0.1333","","","","","","1.322","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507929","14.755","0.003","14.831","0.003","7.1877","0.0016","90","","95.469","0.004","90","","1565.7","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(p-hydroxyphenyl)-7-thiomethyl-1-oxaazulan-2-one","","- C33 H26 Cl2 O6 S2 -","- C33 H26 Cl2 O6 S2 -","- C66 H52 Cl4 O12 S4 -","2","0.5","","Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon","The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis.","Nature chemistry","2011","3","4","331","335","10.1038/nchem.1002","","","0.71073","MoKα","","0.1123","0.0781","","","0.1911","0.2151","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507930","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","stam1","","","- C60 H68 Cu6 O52 -","- C60 H48 Cu6 O52 -","- C60 H48 Cu6 O52 -","1","0.0833333","","Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E.","Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework.","Nature chemistry","2011","3","4","304","310","10.1038/nchem.1003","","","0.71073","MoKα","","0.069","0.056","","","0.1339","0.1415","","","","","","1.149","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507931","12.3462","0.0016","13.0526","0.0018","13.5703","0.0018","106.254","0.002","101.926","0.002","105.292","0.002","1930","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H86 Cl6 N4 P4 Si4 U2 -","- C69 H86 Cl6 N4 P4 Si4 U2 -","- C69 H86 Cl6 N4 P4 Si4 U2 -","1","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0519","0.0369","","","0.0774","0.0839","","","","","","1.035","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507932","10.8234","0.0009","11.895","0.001","16.7711","0.0014","91.171","0.002","94.744","0.002","101.546","0.002","2106.7","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H100 Cl4 N4 O2 P4 Si4 U2 -","- C70 H92 Cl4 N4 O2 P4 Si4 U2 -","- C70 H92 Cl4 N4 O2 P4 Si4 U2 -","1","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0544","0.0398","","","0.0754","0.0787","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507933","35.693","0.007","12.776","0.002","21.448","0.004","90","","121.351","0.003","90","","8353","3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H100 I4 N4 P4 Si4 U2 -","- C62 H76 I4 N4 P4 Si4 U2 -","- C248 H304 I16 N16 P16 Si16 U8 -","4","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.1121","0.0915","","","0.2588","0.2702","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507934","17.3132","0.0009","27.8758","0.0015","36.903","0.003","90","","90","","90","","17810","2","90","2","90","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2 -","- C69 H86 Cl1.224 I0.78 N4 P4 Si4 U2 -","- C552 H688 Cl9.792 I6.24 N32 P32 Si32 U16 -","8","0.5","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0483","0.0457","","","0.1214","0.1231","","","","","","1.043","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1507935","9.836","0.003","12.37","0.003","22.185","0.006","74.697","0.004","78.713","0.004","81.039","0.004","2537.7","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H71 I2 N2 O P2 Si2 U -","- C35 H47 I2 N2 O P2 Si2 U -","- C70 H94 I4 N4 O2 P4 Si4 U2 -","2","1","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0863","0.064","","","0.1555","0.1648","","","","","","0.956","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507936","10.399","0.0009","12.5771","0.0011","17.9435","0.0016","85.865","0.002","84.843","0.002","66.167","0.002","2136.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H55 Cl3 N2 O2 P2 Si2 U -","- C39 H55 Cl3 N2 O2 P2 Si2 U -","- C78 H110 Cl6 N4 O4 P4 Si4 U2 -","2","1","","Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","A delocalized arene-bridged diuranium single-molecule magnet.","Nature chemistry","2011","3","6","454","460","10.1038/nchem.1028","","","0.71073","MoKα","","0.0482","0.0331","","","0.0691","0.074","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507937","14.7634","0.0003","8.8165","0.0002","18.114","0.0004","90","","107.073","0.0009","90","","2253.84","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Au Cl4 N -","- C16 H36 Au Cl4 N -","- C64 H144 Au4 Cl16 N4 -","4","1","","Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D.","Core@shell bimetallic nanoparticle synthesis via anion coordination.","Nature chemistry","2011","3","6","478","483","10.1038/nchem.1030","","","0.71073","MoKα","","0.0515","0.0292","","0.088","0.0691","0.088","","","","","","0.9366","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507938","10.9999","0.0005","11.9542","0.0005","17.7219","0.0009","91.4858","0.0017","103.352","0.002","107.87","0.002","2146.14","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Cl6 N2 Pd2 -","- C32 H72 Cl6 N2 Pd2 -","- C64 H144 Cl12 N4 Pd4 -","2","1","","Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D.","Core@shell bimetallic nanoparticle synthesis via anion coordination.","Nature chemistry","2011","3","6","478","483","10.1038/nchem.1030","","","0.71073","MoKα","","0.1097","0.0509","","0.117","0.0821","0.1169","","","","","","0.9755","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507939","9.7093","0.0006","11.9854","0.0008","15.6951","0.0011","90","","93.883","0.005","90","","1822.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 Cl N2 O7 -","- C45 H39 Cl N2 O7 -","- C90 H78 Cl2 N4 O14 -","2","1","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","1.54178","CuKα","","0.0635","0.056","","","0.1318","0.1398","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507940","9.4062","0.0006","27.3462","0.0017","12.0053","0.0008","90","","97.589","0.001","90","","3061","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H29 Cl N2 O6 -","- C36 H29 Cl N2 O6 -","- C144 H116 Cl4 N8 O24 -","4","2","","Tan, Bin; Candeias, Nuno R.; Barbas, 3rd, Carlos F","Construction of bispirooxindoles containing three quaternary stereocentres in a cascade using a single multifunctional organocatalyst.","Nature chemistry","2011","3","6","473","477","10.1038/nchem.1039","","","0.71073","MoKα","","0.0528","0.0471","","","0.1178","0.1232","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507941","16.4998","0.0006","16.4998","0.0006","27.6279","0.0009","90","","90","","90","","7521.5","0.5","153.1","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C35 H50 O10 Si2 -","- C35.995 H37 O9 Si2 -","- C287.96 H296 O72 Si16 -","8","1","","Tanino, Keiji; Takahashi, Motomasa; Tomata, Yoshihide; Tokura, Hiroshi; Uehara, Taketo; Narabu, Takashi; Miyashita, Masaaki","Total synthesis of solanoeclepin A.","Nature chemistry","2011","3","6","484","488","10.1038/nchem.1044","","","0.71075","MoKα","","","0.0623","","","","0.1441","","","","","","0.866","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507942","8.433","0.0003","21.6173","0.0008","13.7382","0.0005","90","","107.011","0.0015","90","","2394.88","0.15","123","","123","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 N2 P2 Ru -","- C20 H44 N2 P2 Ru -","- C80 H176 N8 P8 Ru4 -","4","1","","Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven","Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand.","Nature chemistry","2011","3","7","532","537","10.1038/nchem.1051","","","0.71073","MoKα","","0.0211","0.0205","","","0.0504","0.0509","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507943","8.4996","0.0003","21.0038","0.0007","19.3021","0.0007","90","","90.1511","0.0017","90","","3445.9","0.2","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 N2 O4 P2 Ru -","- C30 H60 N2 O4 P2 Ru -","- C120 H240 N8 O16 P8 Ru4 -","4","1","","Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven","Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand.","Nature chemistry","2011","3","7","532","537","10.1038/nchem.1051","","","0.71073","MoKα","","0.0317","0.0282","","","0.0697","0.0719","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507944","10.4307","0.0006","13.7396","0.0008","16.9587","0.001","70.6501","0.0008","77.8476","0.0007","70.9419","0.0007","2153.1","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Gd2 K N6 O12 Si8 -","- C60 H144 Gd2 K N6 O12 Si8 -","- C60 H144 Gd2 K N6 O12 Si8 -","1","0.5","","Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R.","Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes.","Nature chemistry","2011","3","7","538","542","10.1038/nchem.1063","","","0.71073","MoKα","","0.0388","0.0261","","","0.0569","0.0613","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507945","10.2002","0.0005","13.9169","0.0007","14.9513","0.0008","83.367","0.0005","74.6788","0.0005","72.8161","0.0005","1953.99","0.17","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H128 Dy2 K N6 O10 Si8 -","- C52 H128 Dy2 K N6 O10 Si8 -","- C52 H128 Dy2 K N6 O10 Si8 -","1","0.5","","Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R.","Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes.","Nature chemistry","2011","3","7","538","542","10.1038/nchem.1063","","","0.71073","MoKα","","0.0162","0.0155","","","0.0405","0.041","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507946","20.5155","0.0015","20.5155","0.0015","15.0907","0.0013","90","","90","","90","","6351.5","0.9","294.1","","294.1","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H48.2 Mn2 N24 Nb O8.2 -","- C56 H48 Mn2 N24 Nb O8.2 -","- C224 H192 Mn8 N96 Nb4 O32.8 -","4","0.25","","Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko","Light-induced spin-crossover magnet.","Nature chemistry","2011","3","7","564","569","10.1038/nchem.1067","","","0.71075","MoKα","","","0.0454","","","","0.1497","","","","","","1.239","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507947","20.2001","0.0004","20.2001","0.0004","14.9565","0.0005","90","","90","","90","","6102.9","0.3","","","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C56 Fe2 N24 Nb O10 -","- C56 Fe2 N24 Nb O10 -","- C224 Fe8 N96 Nb4 O40 -","4","0.25","","Ohkoshi, Shin-Ichi; Imoto, Kenta; Tsunobuchi, Yoshihide; Takano, Shinjiro; Tokoro, Hiroko","Light-induced spin-crossover magnet.","Nature chemistry","2011","3","7","564","569","10.1038/nchem.1067","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.025","2.23","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507948","9.586","0.002","12.425","0.002","17.906","0.004","104.92","0.03","91.5","0.02","107.28","0.03","1955.6","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Gandelman-99(Yuri)","","","- C37 H38 Cl F6 N4 O P3 Rh -","- C37 H38 Cl F6 N4 O P3 Rh -","- C74 H76 Cl2 F12 N8 O2 P6 Rh2 -","2","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.1111","0.0776","","","0.2147","0.2317","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507949","28.71","0.006","28.71","0.006","10.909","0.002","90","","90","","120","","7787","3","293","2","293","2","","","","","","","","8","R 3 :H","R 3","146","Gandelman-91(Yuri)","","","- C24 H52.33 Br Cl2 N5 O2.33 P2 Ru -","- C24 H52.33 Br Cl2 N5 O2.33333 P2 Ru -","- C216 H470.97 Br9 Cl18 N45 O21 P18 Ru9 -","9","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0871","0.0511","","","0.0984","0.1103","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507950","14.09","0.003","18.71","0.004","15.558","0.004","90","","101.48","0.03","90","","4019.4","1.6","240","2","240","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","Gandelman-93 (Yuri)","","","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C144 H128 Cl16 F24 N12 O4 P12 Rh4 -","4","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0824","0.0467","","","0.1227","0.1355","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507951","48.783","0.007","16.309","0.002","16.08","0.002","90","","92.627","0.003","90","","12780","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Gandelman-106(Yuri)","","","- C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75 -","- C28.25 H28 F9 N2.25 O1.25 P3 Rh0.75 -","- C452 H448 F144 N36 O20 P48 Rh12 -","16","2","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.1475","0.0662","","","0.1614","0.2053","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507952","7.1086","0.0002","12.1687","0.0005","12.6313","0.0005","90","","90","","90","","1092.64","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br2 N4 O -","- C7 H12 Br2 N4 O -","- C28 H48 Br8 N16 O4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0277","0.0221","","","0.0329","0.0333","","","","","","0.887","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507953","6.333","0.0001","10.3246","0.0002","26.9497","0.0004","90","","90","","90","","1762.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N4 O5 S -","- C16 H20 N4 O5 S -","- C64 H80 N16 O20 S4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0332","0.029","","","0.0673","0.0698","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507954","6.5187","0.0005","8.6895","0.0005","7.0751","0.0005","90","","98.453","0.004","90","","396.41","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0402","0.0334","","","0.0721","0.0752","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507955","10.1997","0.0004","12.253","0.0005","24.807","0.001","90","","90","","90","","3100.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 I2 O8 Si -","- C27 H42 I2 O8 Si -","- C108 H168 I8 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.0314","0.0293","","","0.0678","0.0685","","","","","","1.156","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507956","13.7487","0.0003","13.6316","0.0003","18.3824","0.0004","90","","92.377","0.001","90","","3442.21","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H50 Cl2 O8 Si -","- C31 H50 Cl2 O8 Si -","- C124 H200 Cl8 O32 Si4 -","4","2","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","1.54178","CuKα","","0.0715","0.0566","","","0.1508","0.1603","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507957","10.018","0.0003","10.018","0.0003","66.931","0.004","90","","90","","90","","6717.2","0.5","142","","142","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H47 Br O6 Si -","- C33 H47 Br O6 Si -","- C264 H376 Br8 O48 Si8 -","8","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.094","0.0498","","","0.0918","0.0993","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507958","10.5239","0.0011","14.5191","0.0015","22.649","0.002","90","","90","","90","","3460.7","0.6","171","","171","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Br O8 Si -","- C33 H47 Br O8 Si -","- C132 H188 Br4 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.051","0.0374","","","0.082","0.0871","","","","","","0.979","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507959","16.4546","0.0002","14.6655","0.0002","16.651","0.0002","90","","92.343","0.001","90","","4014.78","0.09","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 B Cl F12 P2 Pt S2 -","- C40 H30 B Cl F12 P2 Pt S2 -","- C160 H120 B4 Cl4 F48 P8 Pt4 S8 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0496","0.0291","","","0.0552","0.0619","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507960","13.2738","0.0006","18.9981","0.0008","19.6952","0.0009","90","","105.576","0.003","90","","4784.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 B22 F8 P2 Pt S2 -","- C32 H50 B22 F8 P2 Pt S2 -","- C128 H200 B88 F32 P8 Pt4 S8 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0862","0.0499","","","0.1013","0.1144","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507961","13.1494","0.0004","36.1583","0.0011","23.7534","0.0007","90","","95.836","0.002","90","","11235.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H110 B44 Cl10 F16 P4 Pt2 S4 -","- C69 H110 B44 Cl10 F16 P4 Pt2 S4 -","- C276 H440 B176 Cl40 F64 P16 Pt8 S16 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0816","0.052","","","0.1212","0.1354","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507962","13.5537","0.0003","19.4743","0.0004","19.6358","0.0004","90","","97.836","0.001","90","","5134.45","0.19","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C33 H51 B22 Cl2 F8 P2 Pt S2 -","- C132 H204 B88 Cl8 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.1401","0.0624","","","0.1243","0.1502","","","","","","0.976","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507963","26.1737","0.0005","19.4713","0.0004","26.191","0.0005","90","","118.272","0.001","90","","11755.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 B22 Cl6 F8 P2 Pt S2 -","- C36.5 H59 B22 Cl F8 P2 Pt S2 -","- C292 H472 B176 Cl8 F64 P16 Pt8 S16 -","8","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0963","0.0549","","","0.1446","0.1552","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507964","12.1925","0.0001","12.9626","0.0002","15.407","0.0002","84.221","0.001","72.108","0.001","71.635","0.001","2199.22","0.05","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H50 B2 Cl4 F8 P2 Pt S2 -","- C36 H46 B2 F8 P2 Pt S2 -","- C72 H92 B4 F16 P4 Pt2 S4 -","2","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0232","0.0209","","","0.0553","0.0567","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507965","13.2826","0.0003","18.4796","0.0004","23.5694","0.0005","110.442","0.001","99.975","0.001","91.216","0.001","5318","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H62 B2 Cl4 F8 P2 Pt S2 -","- C49.5 H61 B2 Cl3 F8 P2 Pt S2 -","- C198 H244 B8 Cl12 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0296","0.0243","","","0.0646","0.0666","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507966","12.6691","0.0002","19.7198","0.0003","19.9223","0.0003","93.78","0.001","107.622","0.001","100.194","0.001","4630.74","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 B2 F8 P2 Pt S2 -","- C44 H46 B2 F8 P2 Pt S2 -","- C176 H184 B8 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0415","0.0288","","","0.064","0.0664","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507967","9.4556","0.0008","18.6226","0.001","24.1172","0.0015","90","","98.277","0.004","90","","4202.5","0.5","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2 -","- C161.2 H154.4 B8 Cl2.4 F32 P8 Pt4 S8 -","4","2","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.0694","0.0603","","","0.1366","0.1419","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507968","10.9643","0.0002","14.7439","0.0003","13.67","0.0002","90","","96.109","0.001","90","","2197.3","0.07","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C41 H32 B2 Cl2 F16 P2 Pt S2 -","- C40 H30 B2 F16 P2 Pt S2 -","- C80 H60 B4 F32 P4 Pt2 S4 -","2","0.5","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0428","0.0385","","","0.1105","0.1135","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507969","6.8212","0.0002","17.6275","0.0005","17.9702","0.0005","90","","98.053","0.0013","90","","2139.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 B10 P S -","- C16 H25 B10 P S -","- C64 H100 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","1.54178","CuKα","","0.035","0.0322","","","0.0859","0.0881","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507970","10.5592","0.001","14.1502","0.0013","14.2279","0.0016","90","","93.374","0.007","90","","2122.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B10 P S -","- C16 H25 B10 P S -","- C64 H100 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.087","0.0436","","","0.0877","0.099","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507971","9.5269","0.0001","13.5196","0.0002","18.9816","0.0002","90","","103.987","0.001","90","","2372.34","0.05","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B10 P S -","- C18 H29 B10 P S -","- C72 H116 B40 P4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0964","0.0556","","","0.164","0.1797","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507972","12.3211","0.0002","13.5986","0.0002","14.9381","0.0003","90","","110.031","0.001","90","","2351.47","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B10 Cl2 P Pt S -","- C16 H25 B10 Cl2 P Pt S -","- C64 H100 B40 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0326","0.0227","","","0.047","0.0509","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507973","14.2619","0.0002","11.1469","0.0001","15.0388","0.0002","90","","90","","90","","2390.81","0.05","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H25 B10 Cl2 P Pt S -","- C16 H25 B10 Cl2 P Pt S -","- C64 H100 B40 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0286","0.0217","","","0.0394","0.0413","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507974","9.6308","0.0001","21.48","0.0003","14.1467","0.0002","90","","96.8895","0.0006","90","","2905.39","0.07","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 B10 Cl2 O0.5 P Pt S -","- C20 H34 B10 Cl2 O0.5 P Pt S -","- C80 H136 B40 Cl8 O2 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0423","0.0315","","","0.0749","0.0791","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507975","11.897","0.0019","13.9412","0.0013","14.7305","0.0016","90","","110.2","0.011","90","","2292.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cl2 P Pt S -","- C24 H29 Cl2 P Pt S -","- C96 H116 Cl8 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0192","0.0154","","","0.0341","0.0353","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507976","11.574","0.0002","13.787","0.0003","14.616","0.0003","90","","99.605","0.0011","90","","2299.59","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H24 Cl3 P Pt S -","- C22.5 H23 Cl3 P Pt S -","- C90 H92 Cl12 P4 Pt4 S4 -","4","1","","Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.","A coordination chemistry dichotomy for icosahedral carborane-based ligands.","Nature chemistry","2011","3","8","590","596","10.1038/nchem.1088","","","0.71073","MoKα","","0.0556","0.0326","","","0.0582","0.0632","","","","","","0.952","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507977","12.71","0.003","13.992","0.003","12.838","0.003","90","","108.43","0.03","90","","2166","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 N2 O P Ru -","- C20 H37 N2 O P Ru -","- C80 H148 N8 O4 P4 Ru4 -","4","1","","Balaraman, Ekambaram; Gunanathan, Chidambaram; Zhang, Jing; Shimon, Linda J. W.; Milstein, David","Efficient hydrogenation of organic carbonates, carbamates and formates indicates alternative routes to methanol based on CO2 and CO.","Nature chemistry","2011","3","8","609","614","10.1038/nchem.1089","","","0.71073","MoKα","","0.0603","0.0454","","","0.0842","0.0883","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507978","9.48719","0.00017","12.8846","0.0003","12.0111","0.0003","90","","96.4486","0.001","90","","1458.93","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 Cl N4 O4 -","- C30 H35 Cl N4 O4 -","- C60 H70 Cl2 N8 O8 -","2","1","","Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji","Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis.","Nature chemistry","2011","3","8","642","646","10.1038/nchem.1096","","","1.54187","CuKα","","","0.0422","","","","0.102","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507979","7.354","0.004","7.354","0.004","43.22","0.005","90","","90","","120","","2024.2","1.6","93","2","93","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C7 H22 F18 N3 O6 V7 -","- C6 H34 F18 N4 O6 V7 -","- C18 H102 F54 N12 O18 V21 -","3","0.0833333","","Aidoudi, Farida H.; Aldous, David W.; Goff, Richard J.; Slawin, Alexandra M. Z.; Attfield, J. Paul; Morris, Russell E.; Lightfoot, Philip","An ionothermally prepared S = 1/2 vanadium oxyfluoride kagome lattice.","Nature chemistry","2011","3","10","801","806","10.1038/nchem.1129","","","0.71073","MoKα","","0.0816","0.0709","","","0.1798","0.1868","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507980","19.1682","0.0012","36.703","0.002","40.905","0.003","90","","90","","90","","28778","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","C3(Cl)2","","","- C246 H375 Cl3 Fe N51 Na O52 -","- C246 H375 Cl3 Fe N51 Na O52 -","- C984 H1500 Cl12 Fe4 N204 Na4 O208 -","4","1","","Ousaka, Naoki; Takeyama, Yuki; Iida, Hiroki; Yashima, Eiji","Chiral information harvesting in dendritic metallopeptides.","Nature chemistry","2011","3","11","856","861","10.1038/nchem.1146","","","0.71073","MoKα","","0.1644","0.1096","","","0.2812","0.3283","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507981","13.2633","0.0013","30.498","0.003","18.0731","0.0018","90","","91.588","0.002","90","","7307.8","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H118 Dy4 Mo Si4 -","- C65 H118 Dy4 Mo Si4 -","- C260 H472 Dy16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1161","0.0421","","","0.0642","0.0832","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507982","13.2652","0.0013","30.812","0.003","17.8231","0.0018","90","","92.078","0.002","90","","7280","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Dy4 Mo Si4 -","- C65 H116 Dy4 Mo Si4 -","- C260 H464 Dy16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0815","0.043","","","0.0813","0.0902","","","","","","0.88","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507983","13.2501","0.0013","30.326","0.003","18.0991","0.0018","90","","91.819","0.002","90","","7269","1.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H118 Ho4 Mo Si4 -","- C65 H118 Ho4 Mo Si4 -","- C260 H472 Ho16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0651","0.0358","","","0.0634","0.0688","","","","","","0.875","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507984","13.2847","0.0015","30.691","0.003","17.87","0.002","90","","92.072","0.002","90","","7281.2","1.4","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Ho4 Mo Si4 -","- C65 H116 Ho4 Mo Si4 -","- C260 H464 Ho16 Mo4 Si16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0716","0.0453","","","0.1023","0.1104","","","","","","0.959","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507985","13.8691","0.0011","22.8409","0.0018","24.1291","0.0019","90","","91.841","0.002","90","","7639.7","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H119 Mo P Si4 Y4 -","- C61 H119 Mo P Si4 Y4 -","- C244 H476 Mo4 P4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0736","0.0374","","","0.0677","0.0718","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507986","14.0625","0.001","23.1646","0.0017","24.1202","0.0018","90","","92.501","0.001","90","","7849.7","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H119 P Si4 W Y4 -","- C61 H119 P Si4 W Y4 -","- C244 H476 P4 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0738","0.0428","","","0.147","0.1527","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507987","13.4105","0.0012","14.0678","0.0012","22.368","0.002","95.1377","0.001","92.0563","0.001","118.155","0.001","3690.9","0.6","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H126 P Si4 W Y4 -","- C64 H126 P Si4 W Y4 -","- C128 H252 P2 Si8 W2 Y8 -","2","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","neutron","1.248","neutron","","0.1651","0.1032","","","0.2389","0.2852","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507988","13.5989","0.0015","30.857","0.004","17.665","0.002","90","","92.951","0.002","90","","7402.8","1.5","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Mo Si4 Y4 -","- C64 H124 Mo Si4 Y4 -","- C256 H496 Mo4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1163","0.0402","","","0.0668","0.0815","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507989","13.5822","0.0007","30.8031","0.0016","17.6738","0.001","90","","92.814","0.001","90","","7385.3","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Si4 W Y4 -","- C64 H124 Si4 W Y4 -","- C256 H496 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0621","0.0347","","","0.0731","0.0775","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507990","13.2794","0.0006","30.4306","0.0014","18.1306","0.0008","90","","91.851","0.001","90","","7322.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 Si4 W Y4 -","- C64 H124 Si4 W Y4 -","- C256 H496 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","neutron","","neutron","","0.2235","0.1894","","","0.4257","0.4464","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507991","13.7848","0.0009","20.179","0.0013","27.0183","0.0016","90","","91.457","0.001","90","","7513.1","0.8","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H118 Si4 W Y4 -","- C64 H118 Si4 W Y4 -","- C256 H472 Si16 W4 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.0723","0.0396","","","0.0959","0.1022","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507992","13.292","0.0008","30.7831","0.0017","17.8644","0.0011","90","","92.393","0.001","90","","7303.2","0.7","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H116 Mo Si4 Y4 -","- C65 H116 Mo Si4 Y4 -","- C260 H464 Mo4 Si16 Y16 -","4","1","","Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin","Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.","Nature chemistry","2011","3","10","814","820","10.1038/nchem.1147","","","0.71073","MoKα","","0.1455","0.048","","","0.0882","0.1124","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507993","10.05","0.0004","10.1301","0.0004","10.2065","0.0004","90","","96.154","0.001","90","","1033.11","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 B2 N2 O4 -","- C20 H26 B2 N2 O4 -","- C40 H52 B4 N4 O8 -","2","1","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0351","0.0324","","","0.0857","0.0885","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507994","9.058","0.002","9.824","0.002","14.734","0.003","98.499","0.002","96.322","0.002","92.204","0.003","1286.8","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H29 B2 Br N2 O4 -","- C26 H29 B2 Br N2 O4 -","- C52 H58 B4 Br2 N4 O8 -","2","2","","Lee, Jack Chang Hung; McDonald, Robert; Hall, Dennis G.","Enantioselective preparation and chemoselective cross-coupling of 1,1-diboron compounds.","Nature chemistry","2011","3","11","894","899","10.1038/nchem.1150","","","0.71073","MoKα","","0.0401","0.0355","","","0.0955","0.0978","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507995","14.2028","0.0018","8.4774","0.0009","22.6154","0.0016","90","","107.307","0.008","90","","2599.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","Biber, Nicole; Möws, Katrin; Plietker, Bernd","The total synthesis of hyperpapuanone, hyperibone L, epi-clusianone and oblongifolin A.","Nature chemistry","2011","3","12","938","942","10.1038/nchem.1170","","","1.54178","CuKα","","0.1633","0.0844","","","0.1543","0.2036","","","","","","1.031","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507996","11.828","0.0019","12.398","0.002","13.938","0.002","85.265","0.003","69.159","0.002","68.396","0.002","1773.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 F2 N2 O4 Pd2 -","- C30 H22 F2 N2 O4 Pd2 -","- C60 H44 F4 N4 O8 Pd4 -","2","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0395","0.0299","","","0.0691","0.0712","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507997","11.3484","0.0013","16.5864","0.0019","17.37","0.002","90","","97.391","0.002","90","","3242.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H27 Cl5 N2 O4 Pd2 -","- C32.5 H27 Cl5 N2 O4 Pd2 -","- C130 H108 Cl20 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0625","0.0361","","","0.0791","0.0916","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507998","11.2537","0.0006","16.3457","0.0008","17.331","0.0009","90","","97.294","0.002","90","","3162.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C32 H26 Cl4 F N2 O4 Pd2 -","- C128 H104 Cl16 F4 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0701","0.0466","","","0.11","0.1231","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507999","11.3423","0.0014","16.545","0.002","17.388","0.002","90","","97.364","0.002","90","","3236.1","0.7","130","1","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C30 H22 N2 O4 Pd2 -","- C120 H88 N8 O16 Pd8 -","4","1","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0543","0.0346","","","0.0838","0.0894","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508000","11.3622","0.0014","16.569","0.002","17.444","0.002","90","","97.382","0.002","90","","3256.8","0.7","160","2","160","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0546","0.0328","","","0.079","0.0847","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508001","11.3819","0.0005","16.6013","0.0007","17.4899","0.0007","90","","97.441","0.001","90","","3277","0.2","190","1","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0465","0.0291","","","0.0712","0.0757","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508002","11.395","0.0007","16.6424","0.001","17.529","0.0011","90","","97.527","0.001","90","","3295.6","0.4","220","2","220","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C20 H14.6667 N1.33333 O2.66667 Pd1.33333 -","- C120 H88 N8 O16 Pd8 -","6","1.5","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0514","0.0301","","","0.074","0.0793","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508003","11.4138","0.0019","16.7","0.003","17.58","0.003","90","","97.639","0.003","90","","3321.2","1","250","2","250","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl4 F N2 O4 Pd2 -","- C15 H11 N O2 Pd -","- C120 H88 N8 O16 Pd8 -","8","2","","Campbell, Michael G.; Powers, David C.; Raynaud, Jean; Graham, Michael J.; Xie, Ping; Lee, Eunsung; Ritter, Tobias","Synthesis and structure of solution-stable one-dimensional palladium wires.","Nature chemistry","2011","3","12","949","953","10.1038/nchem.1197","","","0.71073","MoKα","","0.0644","0.0352","","","0.0846","0.0915","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508145","14.6299","0.0007","22.0132","0.0009","17.1801","0.0012","90","","90.557","0.004","90","","5532.6","0.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","OP8Br","","","- C64 H64 Br2 O16 -","- C64 H64 Br2 O16 -","- C256 H256 Br8 O64 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","0.71073","MoKα","","0.0483","0.0427","","","0.1167","0.1226","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508146","26.465","0.0005","13.3084","0.0002","20.9193","0.0004","90","","116.126","0.0007","90","","6615.1","0.2","200","","200","","","","","","","","","4","C 1 2 1","C 2y","5","OP8NO2","","","- C71 H74.5 N5.5 O20 -","- C71 H74.5 N5.5 O20 -","- C284 H298 N22 O80 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","1.54187","CuKα","","0.0653","0.0486","","","0.124","0.1424","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508147","12.6264","0.0001","22.3733","0.0002","25.1262","0.0003","90","","102.392","0.0005","90","","6932.65","0.12","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","OP8NO2+[SbF6-]","","","- C69 H71.5 F6 N4.5 O20 Sb -","- C69 H71.5 F6 N4.5 O20 Sb -","- C276 H286 F24 N18 O80 Sb4 -","4","1","","Ohta, Eisuke; Sato, Hiroyasu; Ando, Shinji; Kosaka, Atsuko; Fukushima, Takanori; Hashizume, Daisuke; Yamasaki, Mikio; Hasegawa, Kimiko; Muraoka, Azusa; Ushiyama, Hiroshi; Yamashita, Koichi; Aida, Takuzo","Redox-responsive molecular helices with highly condensed π-clouds.","Nature chemistry","2011","3","1","68","73","10.1038/nchem.900","","","0.71073","MoKα","","0.0986","0.061","","","0.1592","0.178","","","","","","1.032","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508152","28.6387","0.0012","14.9963","0.0008","19.6011","0.0007","90","","125.48","0.001","90","","6855.1","0.5","173.1","","173.1","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23.75 H44.5 Cl4.5 Mo N P2 -","- C23.7525 H43 Cl4.505 Mo N P2 -","- C190.02 H344 Cl36.04 Mo8 N8 P16 -","8","2","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0407","","","","0.095","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508153","36.3354","0.0007","36.3354","0.0007","24.3428","0.0004","90","","90","","120","","27833.1","0.9","173.1","","173.1","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H100 Mo2 N12 P4 -","- C52 H86 Mo2 N12 P4 -","- C936 H1548 Mo36 N216 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0366","","","","0.0933","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508154","36.1127","0.0007","36.1127","0.0007","24.6029","0.0005","90","","90","","120","","27786.7","0.9","173.1","","173.1","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H100 Mo2 N4 O4 P4 -","- C56 H100 Mo2 N4 O4 P4 -","- C1008 H1800 Mo36 N72 O72 P72 -","18","0.5","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0368","","","","0.1039","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508155","34.4412","0.0013","11.1522","0.0003","20.6925","0.0007","90","","111.63","0.0011","90","","7388.2","0.4","173.1","","173.1","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H53 B F5 Mo N4 P2 -","- C31 H50 B F5 Mo N4 P2 -","- C248 H400 B8 F40 Mo8 N32 P16 -","8","1","","Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.","Nature chemistry","2011","3","2","120","125","10.1038/nchem.906","","","0.71075","MoKα","","","0.0434","","","","0.1067","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508157","9.5083","0.0008","9.6863","0.0008","10.9481","0.0009","68.563","0.001","85.847","0.001","84.917","0.001","934","0.13","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","2,5-dihexyloxy-4-bromobenzaldehyde","","- C19 H29 Br O3 -","- C19 H29 Br O3 -","- C38 H58 Br2 O6 -","2","1","","Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang","Activating efficient phosphorescence from purely organic materials by crystal design.","Nature chemistry","2011","3","3","205","210","10.1038/nchem.984","","","0.71073","MoKα","","0.0241","0.0225","","","0.0606","0.0615","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508159","6.8032","0.001","8.117","0.003","9.659","0.003","108.27","0.03","106.91","0.03","96.94","0.02","471.2","0.3","108","2","108","2","","","","","","","","4","P -1","-P 1","2","","2,5-dihexyloxy-1,4-dibromobenzene","","- C18 H28 Br2 O2 -","- C18 H28 Br2 O2 -","- C18 H28 Br2 O2 -","1","0.5","","Bolton, Onas; Lee, Kangwon; Kim, Hyong-Jun; Lin, Kevin Y.; Kim, Jinsang","Activating efficient phosphorescence from purely organic materials by crystal design.","Nature chemistry","2011","3","3","205","210","10.1038/nchem.984","","","0.71073","MoKα","","0.0213","0.019","","","0.0497","0.0506","","","","","","1.129","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1509054","11.006","","11.006","","11.006","","90","","90","","90","","1333.18","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Silver yttrium zirconium sulfide (0.9/0.9/1.1/4)","","- Ag0.9 S4 Y0.9 Zr1.1 -","- Ag0.9 S4 Y0.9 Zr1.1 -","- Ag7.2 S32 Y7.2 Zr8.8 -","8","0.0416667","","Trichet, L.; Louisy, A.; Chevalier, P.; Rouxel, J.","Les phases Agx Mx Zr1-x S2 (M= In, Y)","Annales de Chimie (Paris)","1978","3","","453","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509239","5.74","","5.74","","5.74","","90","","90","","90","","189.119","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Ag Bi) (S Se)","","- Ag Bi S Se -","- Ag Bi S Se -","- Ag2 Bi2 S2 Se2 -","2","0.0104167","","Glatz, A.C.; Pinella, A.","X-ray and neutron diffraction studies of the high-temperature beta-phase of the Ag Bi Se2 / Ag Bi S2 system","Journal of Materials Science","1968","3","","498","501","10.1007/BF00549732","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509240","5.695","","5.695","","5.695","","90","","90","","90","","184.706","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Ag Bi) (Se0.5 S1.5)","","- Ag Bi S1.5 Se0.5 -","- Ag Bi S1.5 Se0.5 -","- Ag2 Bi2 S3 Se -","2","0.0104167","","Glatz, A.C.; Pinella, A.","X-ray and neutron-diffraction studies of the high-temperature beta-phase of the Ag Bi Se2 / Ag Bi S2 system","Journal of Materials Science","1968","3","","498","501","10.1007/BF00549732","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509242","5.71","","5.71","","5.71","","90","","90","","90","","186.169","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Bi Se2 -","- Ag Bi Se2 -","- Ag2 Bi2 Se4 -","2","0.0104167","","Zhuze, V.P.; Shtrum, E.L.; Sergeeva, V.M.","Semiconducting compounds with the general formula ABX2","Soviet physics - Technical physics","1958","3","","1925","1938","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509247","28.8921","0.0017","9.781","0.0006","12.2102","0.0007","90","","105.762","0.003","90","","3320.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","18-crown-6-KCl-iodoperfluorobutane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,1-Iodononafluorobutane","","- C20 H24 Cl F18 I2 K O6 -","- C20 H24 Cl F18 I2 K O6 -","- C80 H96 Cl4 F72 I8 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0265","0.0184","","","0.0395","0.0436","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509248","27.7056","0.0015","9.6249","0.0005","12.2412","0.0006","90","","101.759","0.002","90","","3195.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","18-crown-6-KI-iodoperfluoropropane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumiodide, 1-Iodoheptafluoropropane","","- C18 H24 F14 I3 K O6 -","- C18 H24 F14 I3 K O6 -","- C72 H96 F56 I12 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0429","0.0299","","","0.0649","0.0736","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509249","9.782","0.0005","14.983","0.0006","12.1152","0.0006","90","","92.886","0.002","90","","1773.4","0.14","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","18-crown-6-KCl-dihydrate","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,dihydrate","","- C12 H28 Cl K O8 -","- C12 H26 Cl K O8 -","- C48 H104 Cl4 K4 O32 -","4","1","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0736","0.0514","","","0.1332","0.144","","","","","","1.065","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1509398","10.44","","5.87","","5.07","","90","","90","","90","","310.704","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Ag In (W O4)2","","- Ag In O8 W2 -","- Ag In O8 W2 -","- Ag2 In2 O16 W4 -","2","0.5","","Okunera, A.S.; Pakhomov, V.I.; Sorokina, O.V.; Fedorov, P.M.","Structure and elastic properties of Ag In (W O4)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","765","767","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509464","5.424","","26.97","","6.627","","90","","106.81","","90","","928.008","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag Mn6 (P2 O7)2 (P3 O10)","","- Ag Mn6 O24 P7 -","- Ag Mn6 O24 P7 -","- Ag2 Mn12 O48 P14 -","2","0.5","","ElMaadi, A.; Bennazha, J.; Holt, E.M.; Boukhari, A.","Identification of a new family of phosphate compounds, A(I) B(II)6 (P2 O7)2 P3 O10: structures of K Mn6 (P2 O7)2 P3 O10 and Ag Mn6 (P2 O7)2 P3 O10","Solid State Sciences","2001","3","","587","592","10.1016/S1293-2558(00)01147-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509532","5.74","","5.74","","5.74","","90","","90","","90","","189.119","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Sb Se2 -","- Ag Sb Se2 -","- Ag2 Sb2 Se4 -","2","0.0104167","","Zhuze, V.P.; Shtrum, E.L.; Sergeeva, V.M.","Semiconducting compounds with the general formula ABX2","Zhurnal Tekhnicheskoi Fiziki","1958","3","","1925","1938","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509534","6.06","","6.06","","6.06","","90","","90","","90","","222.545","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Sb Te2 -","- Ag Sb Te2 -","- Ag2 Sb2 Te4 -","2","0.0104167","","Zhuze, V.P.; Sergeeva, V.M.; Shtrum, E.L.","New semiconductor compounds","Soviet physics - Technical physics","1958","3","","1925","1938","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509691","4.55523","","3.00803","","9.8977","","90","","90","","90","","135.621","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Ag2 Pd O2","","- Ag2 O2 Pd -","- Ag2 O2 Pd -","- Ag4 O4 Pd2 -","2","0.125","","Jansen, M.; Schreyer, M.","Synthesis, structure and properties of Ag2 Pd O2","Solid State Sciences","2001","3","","25","30","10.1016/S1293-2558(00)01128-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509731","9.42","","9.42","","9.42","","94.2","","94.2","","94.2","","828.813","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Ag3.7 (Al3.8 Si8.2 O24) (H2 O)5.4","","- Ag2.236 Al3.8004 O29.4 Si8.1996 -","- Ag2.236 Al3.8004 O29.4 Si8.1996 -","- Ag2.236 Al3.8004 O29.4 Si8.1996 -","1","0.0833333","","Randaccio, L.; Nardin, G.; Calligaris, M.","Cation site location in hydrated chabazites. Crystal structure of potassium- and silver-exchanged chabazites.","Zeolites","1983","3","","205","208","10.1016/0144-2449(83)90008-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509782","10.063","","7.029","","5.54","","90","","90","","90","","391.86","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag2 Cr O4 -","- Ag2 Cr O4 -","- Ag8 Cr4 O16 -","4","0.5","","Jacobson, R.A.; Hackert, M.L.","The Crystal Structure of Silver Chromate","Journal of Solid State Chemistry","1971","3","","364","368","10.1016/0022-4596(71)90072-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509823","12.193","","12.193","","12.193","","90","","90","","90","","1812.72","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3 Na6.6 Al12 Si12 O48","","- Ag3 Al12 Na6.6 O48 Si12 -","- Ag3.016 Al12 Na5.736 O48 Si12 -","- Ag3.016 Al12 Na5.736 O48 Si12 -","1","0.0208333","","Schoellner, R.; Gellens, L.R.; Uytterhoeven, J.B.; Mortier, W.J.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","10.1016/0144-2449(83)90204-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509953","10.921","","10.921","","10.921","","90","","90","","90","","1302.53","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ag6.684 Ge Se5 I0.69","","- Ag6.684 Ge I0.69 Se5 -","- Ag6.684 Ge I0.69 Se5 -","- Ag26.736 Ge4 I2.76 Se20 -","4","0.0416667","","Zerouale, A.; Belin, C.; Aldon, L.; Ribes, M.; Belin, R.","Crystal structure of the non-stoichiometric argyrodite compound Ag(7-x) Ge Se5 I(1-x) (x = 0.31). A highly disordered silver superionic conducting material","Solid State Sciences","2001","3","","251","265","10.1016/S1293-2558(00)01108-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510048","12.31","","12.31","","12.31","","90","","90","","90","","1865.41","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3.19 Na13.54 Al12 Si12 O48","","- Ag3.19 Al12 Na13.54 O48 Si12 -","- Ag3.186 Al12 Na13.536 O48 Si12 -","- Ag3.186 Al12 Na13.536 O48 Si12 -","1","0.0208333","","Uytterhoeven, J.B.; Gellens, L.R.; Schoellner, R.; Mortier, W.J.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","10.1016/0144-2449(83)90204-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510093","2.955","","2.955","","2.955","","90","","90","","90","","25.803","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Au5 Fe Te11)0.06","","- Au0.281 Fe0.06 Te0.659 -","- Au0.281 Fe0.06 Te0.659 -","- Au0.281 Fe0.06 Te0.659 -","1","0.0208333","","Newkirk, L.R.; Tsuei, C.C.","Superconducting transition temperatures and lattice parameters of simple-cubic metastable Te-Au solutions containing Fe and Mn","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1971","3","","755","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510106","2.9725","","2.9725","","2.9725","","90","","90","","90","","26.264","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Au15 Mn Te34)0.02","","- Au0.3 Mn0.02 Te0.68 -","- Au0.294 Mn0.02 Te0.686 -","- Au0.294 Mn0.02 Te0.686 -","1","0.0208333","","Tsuei, C.C.; Newkirk, L.R.","Superconducting transition temperatures and lattice parameters of simple-cubic metastable Te-Au solutions containing Fe and Mn","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1971","3","","755","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510132","4.791","","38.336","","8.201","","90","","90","","90","","1506.26","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Sn","","- Au Eu Sn -","- Au Eu Sn -","- Au20 Eu20 Sn20 -","20","2.5","","Mosel, B.D.; Muellmann, R.; Kotzyba, G.; Hoffmann, R.; Poettgen, R.","A five-fold superstructure of the K Hg2-type, realized for the new stannide Eu Au Sn","Chemistry - A European Journal","1997","3","","1852","1859","10.1002/chem.19970031118","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510258","3.2767","","3.2767","","3.2767","","90","","90","","90","","35.181","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Au Nb3)0.5","","- Au0.5 Nb1.5 -","- Au0.5 Nb1.5 -","- Au0.5 Nb1.5 -","1","0.0104167","","Di, L.M.; Bakker, H.","Mechanically induced phase transformation in the Nb3 Au intermetallic compound","Journal of Physics: Condensed Matter","1991","3","","9319","9326","10.1088/0953-8984/3/47/005","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510457","7.927","","7.927","","7.927","","90","","90","","90","","498.112","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Pb Au2","","- Au2 Pb -","- Au2 Pb -","- Au16 Pb8 -","8","0.0416667","","Perlitz, H.","The structure of the intermetallic compound Au2 Pb","Strukturbericht","1934","3","","612","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510705","8.724","","6.425","","10.095","","90","","116.85","","90","","504.84","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li3 Gd (B O3)2","","- B2 Gd Li3 O6 -","- B2 Gd Li3 O6 -","- B8 Gd4 Li12 O24 -","4","1","","Gravereau, P.; Chaminade, J.P.; Jubera, V.","Crystal structure of the new borate Li3 Gd (B O3)2. Comparison withthe homologous Na3 Ln (B O3)2 (Ln: La, Nd) compounds","Solid State Sciences","2001","3","","469","475","10.1016/S1293-2558(01)01156-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510719","5.168","","8.899","","10.099","","90","","91.112","","90","","464.366","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li3 In (B2 O6)","","- B2 In Li3 O6 -","- B2 In Li3 O6 -","- B8 In4 Li12 O24 -","4","1","","Nowogrocki, G.; Penin, N.; Touboul, M.","Crystal structure of a new lithium indium borate Li3 In B2 O6","Solid State Sciences","2001","3","","461","468","10.1016/S1293-2558(00)01144-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510831","3.15","","3.15","","3.52","","90","","90","","120","","30.248","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Sc B2","","- B2 Sc -","- B2 Sc -","- B2 Sc -","1","0.0416667","","Shcherbak, I.A.; Shulishova, O.I.","Superconductivity of the borides of transition and rare earth metals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1967","3","","1304","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510843","3.078","","3.078","","3.265","","90","","90","","120","","26.789","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Ta B2","","- B2 Ta -","- B2 Ta -","- B2 Ta -","1","0.0416667","","Kiessling, R.","The borides of tantalum","Acta Chemica Scandinavica (1-27,1973-42,1988)","1949","3","","603","615","10.3891/acta.chem.scand.03-0603","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511077","11.613","","11.613","","11.613","","90","","90","","90","","1566.15","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Nb2 Ni B0.16","","- B0.16 Nb2 Ni -","- Nb2 Ni -","- Nb64 Ni32 -","32","0.166667","","Kuz'ma, Yu.B.; Fedorov, T.F.; Sobolev, A.S.","The system niobium - nickel - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1967","3","","638","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511179","4.62","","4.62","","4.62","","90","","90","","90","","98.611","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Hf B","","- B Hf -","- B Hf -","- B4 Hf4 -","4","0.0208333","","Shulishova, O.I.; Shcherbak, I.A.","Superconductivity of the borides of transition and rare-earth metals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1967","3","","1304","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511517","3.29","","14","","3.13","","90","","90","","90","","144.168","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","Ta3 B4","","- B4 Ta3 -","- B4 Ta3 -","- B8 Ta6 -","2","0.125","","Kiessling, R.","The borides of tantalum","Acta Chemica Scandinavica (1-27,1973-42,1988)","1949","3","","603","615","10.3891/acta.chem.scand.03-0603","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511559","11.613","","11.613","","11.613","","90","","90","","90","","1566.15","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Nb10 Ni5 B0.8)6.4","","- B5.12 Nb64 Ni32 -","- Nb64 Ni32 -","- Nb64 Ni32 -","1","0.00520833","","Kuz'ma, Yu.B.; Sobolev, A.S.; Fedorov, T.F.","The system niobium - nickel - boron","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1967","3","","561","565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511650","23.53","","23.53","","23.53","","90","","90","","90","","13027.6","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","Th B66.8 O.36","","- B66.8 O0.36 Th -","- B66.8 O0.366667 Th -","- B1603.2 O8.8 Th24 -","24","0.125","","Etourneau, J.; Naslain, R.; Kasper, J.S.","Structure cristalline de la phase du system bore-thorium. Un nouveau borure a structure type Y B66","Journal of Solid State Chemistry","1971","3","","101","111","10.1016/0022-4596(71)90013-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511702","11.0223","","11.0223","","17.106","","90","","90","","120","","1799.8","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Li (B9 O15)","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.333333","","Nowogrocki, G.; Touboul, M.; Seguin, L.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M= Ba, Sr and M'= Li; M= Ba and M'= Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511704","11.0933","","11.0933","","17.392","","90","","90","","120","","1853.54","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Na (B9 O15)","","- B9 Ba Na O15 -","- B9 Ba Na O15 -","- B54 Ba6 Na6 O90 -","6","0.333333","","Nowogrocki, G.; Penin, N.; Touboul, M.; Seguin, L.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511710","10.6129","","10.6129","","17.555","","90","","90","","120","","1712.38","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sr Li (B9 O15)","","- B9 Li O15 Sr -","- B9 Li O15 Sr -","- B54 Li6 O90 Sr6 -","6","0.333333","","Nowogrocki, G.; Seguin, L.; Touboul, M.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514076","8.2361","0.0011","8.2361","0.0011","8.2361","0.0011","90","","90","","90","","558.68","0.13","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.95/2.06/4)","","- Li0.95 Mn2.06 O4 -","- Li0.948 Mn2.032 O4 -","- Li7.584 Mn16.256 O32 -","8","0.0416667","","Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.","Atomic level study of Li Mn2 O4 as electrode in lithium batteries","ChemPhysChem","2002","3","4","367","370","10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4","","","","","","0.0341","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514077","8.096","0.002","8.096","0.002","8.096","0.002","90","","90","","90","","530.7","0.2","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.2/1.9/4)","","- Li0.2 Mn1.9 O4 -","- Li0.2 Mn1.9 O4 -","- Li1.6 Mn15.2 O32 -","8","0.0416667","","Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.","Atomic level study of Li Mn2 O4 as electrode in lithium batteries","ChemPhysChem","2002","3","4","367","370","10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4","","","","","","0.0754","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514078","8.213","0.002","8.213","0.002","8.213","0.002","90","","90","","90","","554","0.2","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.65/2.08/4)","","- Li0.65 Mn2.08 O4 -","- Li0.65 Mn2.098 O4 -","- Li5.2 Mn16.784 O32 -","8","0.0416667","","Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.","Atomic level study of Li Mn2 O4 as electrode in lithium batteries","ChemPhysChem","2002","3","4","367","370","10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4","","","","","","0.0736","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514079","8.258","0.002","8.258","0.002","8.258","0.002","90","","90","","90","","563.2","0.2","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.87/1.98/4)","","- Li0.87 Mn1.98 O4 -","- Li0.87 Mn1.981 O4 -","- Li6.96 Mn15.848 O32 -","8","0.0416667","","Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.","Atomic level study of Li Mn2 O4 as electrode in lithium batteries","ChemPhysChem","2002","3","4","367","370","10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4","","","","","","0.0411","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514080","8.233","0.002","8.233","0.002","8.233","0.002","90","","90","","90","","558.1","0.2","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.6/2.04/4)","","- Li0.6 Mn2.04 O4 -","- Li0.6 Mn2.04 O4 -","- Li4.8 Mn16.32 O32 -","8","0.0416667","","Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.","Atomic level study of Li Mn2 O4 as electrode in lithium batteries","ChemPhysChem","2002","3","4","367","370","10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4","","","","","","0.0604","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514081","8.151","0.005","8.151","0.005","8.151","0.005","90","","90","","90","","541.5","0.6","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.1/2.05/4)","","- Li0.1 Mn2.048 O4 -","- Li0.1 Mn2.048 O4 -","- Li0.8 Mn16.384 O32 -","8","0.0416667","","Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.","Atomic level study of Li Mn2 O4 as electrode in lithium batteries","ChemPhysChem","2002","3","4","367","370","10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4","","","","","","0.0365","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514086","4.61","","4.61","","4.61","","90","","90","","90","","97.972","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:45",""
"1514093","4.728","0.005","4.728","0.005","4.728","0.005","90","","90","","90","","105.69","0.19","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li1.96 O -","- Li7.84 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0431","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514094","4.764","0.005","4.764","0.005","4.764","0.005","90","","90","","90","","108.1","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li1.9996 O -","- Li7.9984 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0514","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514095","4.782","0.005","4.782","0.005","4.782","0.005","90","","90","","90","","109.4","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2.0002 O -","- Li8.0008 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0577","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514096","4.807","0.005","4.807","0.005","4.807","0.005","90","","90","","90","","111.1","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.0613","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514097","4.837","0.005","4.837","0.005","4.837","0.005","90","","90","","90","","113.2","0.2","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Dilithium Oxide","","- Li2 O -","- Li2.0002 O -","- Li8.0008 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514098","4.689","0.005","4.689","0.005","4.689","0.005","90","","90","","90","","103.1","0.19","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium Oxide (2/1)","","- Li2 O -","- Li2 O -","- Li8 O4 -","4","0.0208333","","Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","10.1088/0953-8984/3/26/001","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:45",""
"1514102","4.533","0.005","9.27","0.01","2.866","0.005","90","","90","","90","","120.4","0.3","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Manganese(IV) Oxide","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Bystroem, A. M.","The crystal structure of ramsdellite, an orthorhombic modification of Mn O2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1949","3","","163","173","10.3891/acta.chem.scand.03-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514113","9.43","","9.43","","9.43","","90","","90","","90","","838.562","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Manganese(III) Oxide - Alpha","Bixbyite C","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.333333","","Hase, W.","Neutronographische Bestimmung der Kristallstrukturparameter von Dy2 O3, Tm2 O3 und alpha-Mn2 O3","Physica Status Solidi","1963","3","","446","449","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514227","9.27","0.01","2.866","0.005","4.533","0.005","90","","90","","90","","120.4","0.3","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Manganese(IV) Oxide","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Bystroem, A. M.","The crystal structure of ramsdellite, an orthorhombic modification of Mn O2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1949","3","","163","173","10.3891/acta.chem.scand.03-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514233","8.0974","0.0014","8.0974","0.0014","8.0974","0.0014","90","","90","","90","","530.93","0.16","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Manganese Oxide (2.03/4)","","- Mn2.03 O4 -","- Mn2.034 O4 -","- Mn16.272 O32 -","8","0.0416667","","Monge, M. A.; Angeles Monge, M.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I.","Atomic level study of Li Mn2 O4 as electrode in lithium batteries","ChemPhysChem","2002","3","4","367","370","10.1002/1439-7641(20020415)3:4<367::AID-CPHC367>3.0.CO;2-4","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514934","29.9106","0.0003","29.9106","0.0003","5.9714","0.0001","90","","90","","120","","4626.55","0.1","143.3","","143","","","","","","","","","2","P 32","P 32","145","","","","- C28 H24 -","- C28 H24 -","- C252 H216 -","9","3","","Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Deciphering mechanism of aggregation-induced emission (AIE): Is E–Z isomerisation involved in an AIE process?","Chemical Science","2012","3","2","493","","10.1039/c1sc00690h","","x-ray","0.7107","MoKα","","0.0544","0.0538","","","0.1339","0.1342","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514935","8.24","0.005","9.982","0.005","16.64","0.005","82.977","0.005","83.088","0.005","73.325","0.005","1296","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Fe N5 O -","- C13 H14 Fe N5 O -","- C52 H56 Fe4 N20 O4 -","4","2","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0786","0.0822","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514936","10.445","0.005","11.723","0.005","11.03","0.005","90","0.005","100.177","0.005","90","0.005","1329.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Co N5 O -","- C13 H14 Co N5 O -","- C52 H56 Co4 N20 O4 -","4","1","","Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C.","A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems","Chemical Science","2012","3","2","364","","10.1039/c1sc00582k","","","0.71073","MoKα","","0.0254","0.0243","","","0.0756","0.0763","","","","","","1.166","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514937","11.805","0.002","12.98","0.002","19.363","0.004","73.794","0.003","86.132","0.003","75.907","0.003","2763.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0733","0.0455","","","0.0983","0.1097","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514938","11.839","0.004","13.026","0.005","19.436","0.007","73.818","0.006","86.197","0.007","75.893","0.007","2791.8","1.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0678","0.0454","","","0.108","0.1188","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514939","11.8394","0.0018","13.037","0.002","19.508","0.003","73.852","0.003","86.214","0.003","75.811","0.003","2804","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0568","0.0381","","","0.0902","0.1007","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514940","11.888","0.003","13.106","0.003","19.649","0.004","73.904","0.004","86.251","0.004","75.708","0.004","2850.3","1.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0597","0.0401","","","0.0993","0.1117","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514941","11.881","0.003","13.093","0.004","19.706","0.006","73.971","0.005","86.265","0.005","75.654","0.005","2854.4","1.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H63 Fe3 N9 -","- C68 H63 Fe3 N9 -","- C136 H126 Fe6 N18 -","2","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.0691","0.0428","","","0.107","0.1229","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514942","21.1077","0.0018","15.5695","0.0013","33.842","0.003","90","","98.773","0.006","90","","10991.6","1.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Fe3 N6 O4.75 -","- C60 H74 Fe3 N6 O4.75 -","- C480 H592 Fe24 N48 O38 -","8","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1473","0.0635","","","0.1463","0.1819","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514943","12.403","0.003","20.06","0.004","22.036","0.005","90","","90","","90","","5483","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 Fe3 N6 P3 -","- C65 H69 Fe3 N6 P3 -","- C260 H276 Fe12 N24 P12 -","4","1","","Eames, Emily V.; Harris, T. David; Betley, Theodore A.","Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph)","Chemical Science","2012","3","2","407","","10.1039/c1sc00492a","","","0.71073","MoKα","","0.1384","0.0625","","","0.0896","0.1096","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514944","8.6711","0.0003","9.4306","0.0004","29.5986","0.0013","90","","90","","90","","2420.39","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N2 O4 -","- C26 H25 F3 N2 O4 -","- C104 H100 F12 N8 O16 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.1087","0.0835","","0.2219","0.1962","0.2218","","","","","","0.9893","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514945","11.9727","0.0003","24.2406","0.0007","10.481","0.0003","90","","107.399","0.001","90","","2902.67","0.14","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 F3 N O6 S -","- C31 H30 F3 N O6 S -","- C124 H120 F12 N4 O24 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.0656","0.0462","","0.1327","0.1132","0.1326","","","","","","0.9241","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514946","10.8509","0.0001","9.3445","0.0001","12.7734","0.0002","90","","107.297","0.0015","90","","1236.6","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H27 F3 N2 O4 -","- C27 H27 F3 N2 O4 -","- C54 H54 F6 N4 O8 -","2","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0369","0.036","","0.0957","0.0946","0.0957","","","","","","0.9957","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514947","9.3165","0.0001","14.3322","0.0001","19.705","0.0001","90","","90","","90","","2631.13","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0239","0.0237","","0.0621","0.0619","0.0621","","","","","","1.0057","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514948","30.7917","0.0004","10.2374","0.0001","11.7082","0.0002","90","","90.481","0.001","90","","3690.61","0.09","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 Si -","- C44 H40 N4 Si -","- C176 H160 N16 Si4 -","4","0.5","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0396","0.0366","","","0.1015","0.1043","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514949","21.7477","0.0009","13.4689","0.0006","35.5044","0.0011","90","","90","","90","","10399.9","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 O2 Si -","- C32 H26 O2 Si -","- C512 H416 O32 Si16 -","16","2","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0958","0.0456","","","0.077","0.0847","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514950","20.3587","0.0004","11.0369","0.0003","18.2729","0.0008","90","","93.111","0.002","90","","4099.8","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 N2 Si -","- C54 H44 N2 Si -","- C216 H176 N8 Si4 -","4","1","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.5418","CuKα","","0.0485","0.0371","","","0.0902","0.0933","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514951","13.4798","0.0019","24.491","0.003","11.104","0.0012","90","","122.469","0.003","90","","3092.8","0.7","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H42 F6 N O6 P -","- C28 H42 F6 N O6 P -","- C112 H168 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0594","0.0503","","","0.1038","0.1096","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514952","13.7552","0.0015","13.8563","0.0015","16.5085","0.0017","90","","96.093","0.003","90","","3128.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 F6 N O6 P -","- C29 H44 F6 N O6 P -","- C116 H176 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0736","0.0581","","","0.1395","0.1481","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514953","8.538","0.005","33.09","0.02","11.751","0.007","90","","97.9","0.02","90","","3288","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O6 P -","- C30 H46 F6 N O6 P -","- C120 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.121","0.0754","","","0.1873","0.2115","","","","","","1.054","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514954","8.702","0.0007","32.962","0.003","11.4583","0.001","90","","93.616","0.003","90","","3280.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F6 N O7 P -","- C30 H46 F6 N O7 P -","- C120 H184 F24 N4 O28 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0864","0.0597","","","0.1283","0.1396","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514955","15.9763","0.0008","13.6353","0.0007","15.3457","0.0007","90","","104.633","0.002","90","","3234.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 F6 N O6 P -","- C29 H46 F6 N O6 P -","- C116 H184 F24 N4 O24 P4 -","4","1","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.0947","0.0685","","","0.163","0.1806","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514956","8.3591","0.001","33.576","0.004","12.1989","0.0015","90","","99.083","0.003","90","","3380.9","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H48 F6 N O7 P -","- C30 H48 F6 N O7 P -","- C120 H192 F24 N4 O28 P4 -","4","2","","Dasgupta, Suvankar; Wu, Jishan","Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell","Chemical Science","2012","3","2","425","","10.1039/c1sc00613d","","","0.71073","MoKα","","0.052","0.046","","","0.1085","0.1123","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514957","11.03","0.005","12.159","0.005","12.875","0.006","112.013","0.006","104.449","0.007","96.026","0.008","1511.8","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H16 O S4 -","- C33 H16 O S4 -","- C66 H32 O2 S8 -","2","1","","Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario","Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60","Chemical Science","2012","3","2","498","","10.1039/c1sc00669j","","","0.71073","MoKα","","0.1899","0.0743","","","0.1142","0.124","","","","","","0.895","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514958","23.2637","0.0017","23.2637","0.0017","62.003","0.009","90","","90","","90","","33556","6","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H46 Br2 N4 O2 -","- C48 H46 Br2 N4 O2 -","- C1536 H1472 Br64 N128 O64 -","32","1","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1219","0.0762","","","0.1763","0.2003","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514959","17.198","0.004","17.198","0.004","15.807","0.007","90","","90","","90","","4675","3","153","2","153","2","","","","","","","","4","I -4 c 2","I -4 -2c","120","","","","- C54 H52 N4 O2 -","- C54 H52 N4 O2 -","- C216 H208 N16 O8 -","4","0.25","","Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis and oxidation of cyclic tetraindole","Chemical Science","2012","3","2","524","","10.1039/c1sc00665g","","","0.71073","MoKα","","0.1032","0.0745","","","0.1881","0.2068","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514960","13.7494","0.0019","13.7494","0.0019","35.336","0.003","90","","90","","90","","6680.1","1.4","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate dihydrate","","- C26 H30 B2 F8 Fe N10 O2 -","- C26 H30 B2 F8 Fe N10 O2 -","- C208 H240 B16 F64 Fe8 N80 O16 -","8","0.5","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0771","0.0428","","","0.1034","0.1211","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514961","9.7481","0.0002","9.7481","0.0002","17.6848","0.0005","90","","90","","90","","1680.51","0.07","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.1048","0.0909","","","0.2721","0.2881","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514962","9.8046","0.0005","9.8046","0.0005","17.8869","0.0013","90","","90","","90","","1719.47","0.18","300","2","300","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate","","- C26 H26 B2 F8 Fe N10 -","- C26 H26 B2 F8 Fe N10 -","- C52 H52 B4 F16 Fe2 N20 -","2","0.25","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0952","0.0797","","","0.2612","0.2717","","","","","","2.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514963","10.064","0.0004","11.6546","0.0005","12.3944","0.0006","90","","90","","90","","1453.76","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-bis(5-methylpyrazol-3-yl)pyridine methanol solvate","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C56 H68 N20 O4 -","4","1","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0759","0.0646","","","0.1704","0.1836","","","","","","1.099","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514964","7.4169","0.0001","8.3781","0.0001","11.0339","0.0002","70.296","0.001","73.131","0.001","71.441","0.001","598.943","0.016","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 B F2 N3 -","- C13 H12 B F2 N3 -","- C26 H24 B2 F4 N6 -","2","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","1.54178","CuKα","","0.038","0.0368","","","0.0968","0.0981","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514965","12.6822","0.0013","6.9729","0.0007","13.8314","0.0014","90","","95.138","0.001","90","","1218.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B F2 N4 -","- C13 H9 B F2 N4 -","- C52 H36 B4 F8 N16 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0556","0.0444","","","0.1172","0.1288","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514966","13.589","0.0018","11.4482","0.0015","8.7135","0.0011","90","","105.519","0.001","90","","1306.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B F2 N3 O -","- C14 H12 B F2 N3 O -","- C56 H48 B4 F8 N12 O4 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.04","0.0315","","","0.0758","0.0809","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514967","14.589","0.003","11.456","0.002","8.6272","0.0015","90","","90.271","0.002","90","","1441.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 B F2 N3 O2 -","- C15 H14 B F2 N3 O2 -","- C60 H56 B4 F8 N12 O8 -","4","1","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0834","0.0424","","","0.0921","0.1099","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514968","7.7978","0.0007","8.4159","0.0011","25.529","0.002","91.862","0.002","95.446","0.001","117.248","0.001","1477.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 B F2 N4 -","- C17 H11 B F2 N4 -","- C68 H44 B4 F8 N16 -","4","2","","Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan","Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes","Chemical Science","2012","3","2","610","","10.1039/c1sc00658d","","x-ray","0.71073","MoKα","","0.0812","0.0492","","","0.1187","0.135","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514969","14.883","0.009","11.843","0.01","19.893","0.01","90","","118.38","0.04","90","","3085","4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C56 H48 Ag2 F12 N12 O4 P2 -","- C56 H48 Ag2 F12 N12 O4 P2 -","- C112 H96 Ag4 F24 N24 O8 P4 -","2","0.5","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.71073","MoKα","","0.2709","0.0982","","","0.2019","0.2388","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514970","22.2009","0.0005","22.2009","0.0005","12.58554","0.00019","90","","90","","120","","5372.09","0.19","150","","150","","","","","","","","","8","P 6 2 2","P 6 2","177","","","","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C56 H48 Ag2 B Cl F4 N12 O4 -","- C168 H144 Ag6 B3 Cl3 F12 N36 O12 -","3","0.25","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0769","0.0688","","","0.1874","0.1963","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514971","17.3366","0.0004","17.3366","0.0004","18.9739","0.0003","90","","90","","120","","4938.73","0.18","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0522","0.035","","","0.1043","0.1095","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1514972","17.3399","0.0003","17.3399","0.0003","18.6738","0.0003","90","","90","","120","","4862.47","0.14","567.3","","567.3","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Ag3 B3 F12 N18 O6 -","- C90 H84 Ag3 B3 F12 N18 O6 -","- C180 H168 Ag6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0476","0.0363","","","0.112","0.1156","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514973","17.2761","0.0002","17.2761","0.0002","18.7097","0.0002","90","","90","","120","","4836.03","0.09","150","","150","","","","","","","","","5","P 63","P 6c","173","","","","- C90 H84 Ag3 N18 O6 -","- C90 H84 Ag3 N18 O6 -","- C180 H168 Ag6 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0462","0.0409","","","0.1165","0.1202","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514974","17.4164","0.0004","17.4164","0.0004","18.8187","0.0004","90","","90","","120","","4943.53","0.19","294.15","","294.15","","","","","","","","","7","P 63","P 6c","173","","","","- C90 H84 Au3 B3 F12 N18 O6 -","- C90 H84 Au3 B3 F12 N18 O6 -","- C180 H168 Au6 B6 F24 N36 O12 -","2","0.333333","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0556","0.0363","","","0.0963","0.1002","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514975","12.6553","0.0003","13.0092","0.0005","15.1663","0.0004","104.239","0.003","112.9","0.003","99.765","0.003","2128.75","0.14","150.1","","150.1","","","","","","","","","8","P 1","P 1","1","","","","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","- C71 H93 Ag3 Cl4 F12 N18 O8 P2 -","1","1","","Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong","Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes","Chemical Science","2012","3","2","359","","10.1039/c1sc00615k","","","0.7107","MoKα","","0.0413","0.0391","","","0.1015","0.1045","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514976","7.95486","0.00005","10.00542","0.00006","20.80472","0.00017","90","","90","","90","","1655.88","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-Ethyl (2R,4S-dinitro-3R-phenyl-1S-cyclohexyl) acetate","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C64 H80 N8 O24 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.5418","CuKα","","0.0214","0.0211","","","0.0559","0.0562","","","","","","1.049","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514977","5.5811","0.0005","12.5943","0.0015","26.723","0.004","90","","90","","90","","1878.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2(R)-[3(R)-(4'-methoxy-phenyl)-2(R),4(S)-dinitro-1(R)cyclohexyl] propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0992","0.0512","","","0.0983","0.1169","","","","","","0.919","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514978","10.1928","0.0005","6.6518","0.0004","12.7044","0.0006","90","","93.098","0.005","90","","860.11","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl 2-[(1S,2R,3R,4S)-2-methyl-2,4-dinitro-3- phenylcyclohexyl]acetate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C34 H44 N4 O12 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","0.71073","MoKα","","0.0831","0.0608","","","0.1323","0.1457","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514979","12.8847","0.0013","5.6274","0.0005","25.767","0.002","90","","92.776","0.009","90","","1866.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (2R)-2-[(1R,2R,3R,4S)-3-(4-methoxyphenyl)- 2,4-dinitrocyclohexyl]propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0793","0.0527","","","0.1283","0.1433","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514980","14.6379","0.0006","11.5625","0.0005","18.7162","0.0008","90","","96.152","0.002","90","","3149.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Fe O6 Pt S4 -","- C31 H28 Fe O6 Pt S4 -","- C124 H112 Fe4 O24 Pt4 S16 -","4","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0285","0.0266","","","0.0724","0.0741","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514981","22.814","0.0008","16.6711","0.0007","23.2989","0.0014","90","","92.135","0.002","90","","8855.2","0.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47 H60 Co O9.75 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C224 H176 Co8 O40 Pt8 S32 -","8","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54184","CuKα","","0.0434","0.034","","","0.0964","0.1003","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514982","11.3784","0.0007","11.822","0.0008","22.0722","0.0014","90","","90.429","0.001","90","","2969","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H22 Co O5 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C112 H88 Co4 O20 Pt4 S16 -","4","2","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","0.71073","MoKα","","0.0279","0.0262","","","0.0561","0.0567","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514983","19.0697","0.0015","19.0697","0.0015","22.6005","0.0019","90","","90","","90","","8218.7","1.1","293","2","293","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C32.35 H29.7 Ni O6.09 Pt S4 -","- C32.352 H29.704 Ni O6.088 Pt S4 -","- C258.816 H237.632 Ni8 O48.704 Pt8 S32 -","8","0.5","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54178","CuKα","","0.0334","0.033","","","0.1064","0.1073","","","","","","1.131","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514984","8.0671","0.0001","12.5459","0.0001","15.4229","0.0002","83.045","0.001","83.617","0.001","81.899","0.001","1526.94","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1635","","","- C35 H41 B O7 -","- C35 H41 B O7 -","- C70 H82 B2 O14 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0364","","","0.0906","0.0954","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514985","11.4194","0.0001","10.9563","0.0001","12.2162","0.0001","90","","104.877","0.001","90","","1477.19","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","RajanBabu 1762","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C56 H70 N2 O14 Si2 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0599","0.0426","","","0.1043","0.1138","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514986","10.6948","0.0001","14.0253","0.0002","18.4358","0.0002","90","","90","","90","","2765.33","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1763","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C112 H140 N4 O28 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0397","","","0.0956","0.0978","","","","","","1.151","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514987","10.3358","0.0001","10.7754","0.0001","13.7612","0.0001","103.096","0.001","100.398","0.001","91.195","0.001","1465.19","0.02","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","RajanBabu 1761","","","- C28 H36 O6 Si2 -","- C28 H36 O6 Si2 -","- C56 H72 O12 Si4 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0649","0.04","","","0.0983","0.1088","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514988","10.1179","0.0001","13.7992","0.0001","21.5342","0.0002","90","","90","","90","","3006.58","0.05","210","2","210","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1842","","","- C29 H37 N O8 Si -","- C29 H37 N O8 Si -","- C116 H148 N4 O32 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0609","0.0395","","","0.0878","0.0958","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514989","10.8449","0.0001","13.7385","0.0001","14.5994","0.0001","78.148","0.001","75.225","0.001","70.556","0.001","1965.93","0.03","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","RajanBabu 1793","","","- C38 H47 B O8 Sn -","- C37.978 H46.89 B O8 Sn0.989 -","- C75.956 H93.78 B2 O16 Sn1.978 -","2","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.074","0.0515","","","0.1566","0.1676","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514990","10.2127","0.0001","10.942","0.0001","28.6657","0.0003","90","","98.392","0.001","90","","3169.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","RajanBabu 1782","","","- C35 H39 B O8 -","- C35 H39 B O8 -","- C140 H156 B4 O32 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0999","0.0454","","","0.1082","0.1259","","","","","","1.042","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514991","16.1008","0.0013","16.9634","0.0013","25.931","0.002","90","","90","","90","","7082.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[SiP(iPr)3]Ni-CH3","","","- C37 H57 Ni P3 Si -","- C37 H57 Ni P3 Si -","- C296 H456 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0482","0.0356","","","0.0848","0.0939","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514992","47.534","0.004","13.9003","0.0011","30.423","0.002","90","","128.63","0.001","90","","15703","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{[SiP(iPr)3]Ni-N2}{BArF}","","","- C77.75 H75.75 B F24 N2 Ni P3 Si -","- C79.064 H77.064 B F24 N2 Ni P3 Si -","- C632.512 H616.512 B8 F192 N16 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.068","0.0464","","","0.114","0.1291","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514993","12.8286","0.0008","14.9103","0.001","38.095","0.003","90","","96.779","0.001","90","","7235.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","{[SiP(iPr)3]Ni-NCMe}{BArF}","","","- C70 H69 B F24 N Ni P3 Si -","- C70 H69 B F24 N Ni P3 Si -","- C280 H276 B4 F96 N4 Ni4 P12 Si4 -","4","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0708","0.0479","","","0.1096","0.1239","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514994","26.3375","0.0011","19.5435","0.0008","27.2078","0.001","90","","90","","90","","14004.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","{[SiP(iPr)3]Ni-CO}{BArF}","","","- C69 H66 B Cl F24 Ni O P3 Si -","- C68.873 H66 B Cl0.127 F24 Ni O0.873 P3 Si -","- C550.984 H528 B8 Cl1.016 F192 Ni8 O6.984 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0832","0.054","","","0.1278","0.1443","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514995","10.9905","0.0007","11.1304","0.0007","16.8144","0.0011","78.237","0.003","79.052","0.003","61.648","0.002","1761.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[SiP(iPr)3]Ni-H","","","- C36 H55 Cl Ni P3 Si -","- C36 H54.974 Cl0.026 Ni P3 Si -","- C72 H109.948 Cl0.052 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.075","0.0462","","","0.1045","0.1168","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514996","13.2952","0.0006","15.4595","0.0007","20.2687","0.001","74.996","0.003","84.981","0.003","83.775","0.003","3992.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-N2}{BArF}","","","- C86 H54 B F24 N2 Ni P3 Si -","- C86 H54 B F24 N2 Ni P3 Si -","- C172 H108 B2 F48 N4 Ni2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0963","0.0526","","","0.1037","0.1203","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514997","13.2892","0.0005","15.457","0.0006","20.2883","0.0007","74.851","0.001","85.107","0.001","83.842","0.001","3992.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{[SiP(Ph)3]Ni-CO}{BArF}","","","- C87 H54 B F24 Ni O P3 Si -","- C87 H54 B F23.974 Ni O P3 Si -","- C174 H108 B2 F47.948 Ni2 O2 P6 Si2 -","2","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0733","0.047","","","0.114","0.1289","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514998","28.982","0.006","11.074","0.002","9.7067","0.0019","90","","101.66","0.003","90","","3051","1","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 N2 -","- C37 H32 Cl2 N2 -","- C148 H128 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2865","0.0821","","","0.1341","0.1812","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514999","32.92","0.013","11.005","0.004","9.624","0.004","90","","106.563","0.006","90","","3342","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H35 Cl2 N2 -","- C41 H35 Cl2 N2 -","- C164 H140 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2737","0.0837","","","0.19","0.2638","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515000","10.7874","0.0015","6.1038","0.0008","11.5494","0.0016","90","","104.177","0.002","90","","737.3","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0441","0.0409","","","0.1187","0.1224","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515001","6.2483","0.001","7.152","0.0011","16.741","0.003","101.417","0.002","91.557","0.003","92.041","0.002","732.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","- C32 H32 N4 O6 -","1","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1291","0.0503","","","0.0926","0.1143","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515002","12.5981","0.0009","6.0734","0.0004","13.4724","0.0009","90","","117.737","0.001","90","","912.37","0.11","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.0685","0.0424","","","0.1074","0.1236","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515003","22.398","0.003","11.1946","0.0017","9.7652","0.0014","90","","95.645","0.002","90","","2436.6","0.6","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cl2 N2 -","- C29 H23 Cl2 N2 -","- C116 H92 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.1627","0.0584","","","0.1095","0.1423","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515004","25.388","0.011","11.126","0.005","9.788","0.004","90","","94.187","0.007","90","","2757","2","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl2 N2 -","- C33 H28 Cl2 N2 -","- C132 H112 Cl8 N8 -","4","0.5","","Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin","Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes","Chemical Science","2012","3","4","1007","","10.1039/c2sc00770c","","","0.71073","MoKα","","0.2301","0.0843","","","0.1597","0.2065","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515005","9.5229","0.0013","39.529","0.005","11.6647","0.0016","90","","98.282","0.003","90","","4345.2","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl3 N7 O7 -","- C43 H41 N7 O7 -","- C172 H164 N28 O28 -","4","1","","Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds","Chemical Science","2012","3","4","1105","","10.1039/c2sc00975g","","","0.71073","MoKα","","0.1361","0.0808","","","0.1968","0.2255","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515006","18.9443","0.0009","21.565","0.0011","17.9908","0.0009","90","","99.909","0.003","90","","7240.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Nb2 O6 P4 -","- C72 H102 Nb2 O6 P4.004 -","- C288 H408 Nb8 O24 P16.016 -","4","1","","Velian, Alexandra; Cummins, Christopher C.","Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process","Chemical Science","2012","3","4","1003","","10.1039/c2sc00931e","","","1.54178","CuKα","","0.0444","0.0368","","","0.091","0.0968","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515007","11.79263","0.0001","21.62584","0.00018","22.16086","0.00019","90","","102.592","0.0009","90","","5515.64","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Co3 I4 N4 O5 -","- C46 H78 Co3 I4 N4 O5 -","- C184 H312 Co12 I16 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0403","0.0246","","","0.053","0.0548","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515008","11.69346","0.00015","20.8757","0.0003","22.0206","0.0002","90","","102.034","0.0012","90","","5257.3","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 Br4 Co3 N4 O5 -","- C46 H78 Br4 Co3 N4 O5 -","- C184 H312 Br16 Co12 N16 O20 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0735","0.0323","","","0.0664","0.0702","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515009","23.2374","0.0005","30.6555","0.0006","14.1318","0.0004","90","","90","","90","","10066.8","0.4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C75.5 H123 Cl20 Co4 K N8 O4 -","- C302 H492 Cl80 Co16 K4 N32 O16 -","4","0.5","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0757","0.0572","","","0.1392","0.1437","","","","","","1.151","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515010","11.78965","0.00015","31.1301","0.0004","27.4398","0.0003","90","","96.1289","0.0013","90","","10013.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H124 Cl21 Co4 K N8 O4 -","- C76 H124 Cl21 Co4 K N8 O4 -","- C304 H496 Cl84 Co16 K4 N32 O16 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.1075","0.0803","","","0.1979","0.2113","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515011","14.4425","0.0002","21.581","0.0003","16.8129","0.0002","90","","105.087","0.0014","90","","5059.69","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 Cl7 Co2 N5 O2 -","- C42 H74 Cl7 Co2 N5 O2 -","- C168 H296 Cl28 Co8 N20 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0572","0.0322","","","0.0803","0.0844","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515012","12.4636","0.0004","15.6121","0.0006","15.8197","0.0005","69.978","0.003","71.369","0.003","85.244","0.003","2739.42","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H86 Cl3 Co2 N6 O3 -","- C49.996 H85.992 Cl3 Co2 N6 O2.999 -","- C99.992 H171.984 Cl6 Co4 N12 O5.998 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0614","0.0353","","","0.0877","0.0918","","","","","","0.927","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515013","15.09","0.0002","20.2875","0.0003","15.702","0.0002","90","","104.082","0.0015","90","","4662.54","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Cl3 Co2 N7 O2 -","- C42 H70 Cl3 Co2 N7 O2 -","- C168 H280 Cl12 Co8 N28 O8 -","4","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0469","0.0388","","","0.1043","0.1072","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515014","11.3806","0.0004","13.8405","0.0004","15.7508","0.0006","96.278","0.003","96.347","0.003","91.87","0.003","2448.45","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 Co2 N6 O4 -","- C46 H76 Cl2 Co2 N6 O4 -","- C92 H152 Cl4 Co4 N12 O8 -","2","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","1.54184","CuKα","","0.0883","0.0593","","","0.1514","0.1654","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515015","35.3728","0.0013","20.4934","0.0004","19.9836","0.0006","90","","124.046","0.005","90","","12003.2","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H73 Cl11 Co2 N6 O2 -","- C45.5 H73 Cl11 Co2 N6 O2 -","- C364 H584 Cl88 Co16 N48 O16 -","8","1","","Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K.","Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism?","Chemical Science","2012","3","4","1245","","10.1039/c2sc00802e","","","0.71073","MoKα","","0.0767","0.0434","","","0.1258","0.1319","","","","","","1.013","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515016","18.1726","0.0003","18.1726","0.0003","7.0372","0.0002","90","","90","","90","","2323.99","0.09","123","2","123","2","","","","","","","synthesis as described","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C24 H28 Cl8 I4 N8 O8 -","- C24 H28 Cl8 I4 N8 O8 -","- C48 H56 Cl16 I8 N16 O16 -","2","0.125","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.0981","0.1007","","","","","","1.23","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515017","26.3584","0.0007","7.034","0.0002","21.0654","0.0004","90","","109.216","0.001","90","","3688.03","0.16","123","2","123","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 Cl3 I4 N8 O8 -","- C23 H29 Cl3 I4 N8 O8 -","- C92 H116 Cl12 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0389","0.032","","","0.068","0.0705","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515018","17.2587","0.0003","17.2587","0.0003","15.5855","0.0004","90","","90","","90","","4642.34","0.16","123","2","123","2","","","","","","","synthesis as described","6","P 43 21 2","P 4nw 2abw","96","","","","- C26 H36 Cl8 I4 N8 O8 -","- C26 H36 Cl8 I4 N8 O8 -","- C104 H144 Cl32 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0436","0.0339","","","0.0612","0.0641","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515019","16.8566","0.0002","16.8566","0.0002","14.5819","0.0003","90","","90","","90","","4143.37","0.11","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C26 H40 I4 N12 O16 -","- C26 H40 I4 N12 O16 -","- C104 H160 I16 N48 O64 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0308","0.026","","","0.0477","0.0488","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515020","26.0769","0.0005","7.0625","0.0001","20.9842","0.0004","90","","108.622","0.001","90","","3662.29","0.11","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 I4 N8 O8 -","- C29 H36 I4 N8 O8 -","- C116 H144 I16 N32 O32 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels","Chemical Science","2012","3","4","1235","","10.1039/c2sc00997h","","x-ray","0.71073","MoKα","","0.0316","0.0259","","","0.053","0.055","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515022","16.7294","0.0013","16.6323","0.0007","29.5917","0.0011","90","","90.954","0.005","90","","8232.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H77 N12 O7 U3 -","- C90 H77 N12 O7 U3 -","- C360 H308 N48 O28 U12 -","4","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation–cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1377","0.0768","","","0.1393","0.1614","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515023","7.2599","0.0004","12.1368","0.0009","16.1046","0.0008","99.775","0.005","90.893","0.004","95.133","0.005","1392.11","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl3 N4 O2 U -","- C29 H23 Cl3 N4 O2 U -","- C58 H46 Cl6 N8 O4 U2 -","2","1","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.0957","0.0759","","","0.1862","0.2005","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515024","27.1234","0.0013","27.366","0.0013","28.2322","0.0016","90","","90.531","0.004","90","","20954.7","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H44.25 N8.75 O5 U2 -","- C57.5 H44.25 N8.75 O5 U2 -","- C920 H708 N140 O80 U32 -","16","2","","Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl","Chemical Science","2012","3","4","1075","","10.1039/c2sc00782g","","","0.71073","MoKα","","0.1201","0.0757","","","0.1494","0.1722","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515025","11.172","0.003","34.082","0.009","12.621","0.003","90","","99.244","0.003","90","","4743","2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","2-Cl2","","","- C52 H66 Cl2 Hg N O Sb -","- C52 H66 Cl2 Hg N O Sb -","- C208 H264 Cl8 Hg4 N4 O4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0478","0.0344","","","0.0729","0.079","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515026","18.171","0.005","28.753","0.008","13.422","0.007","90","","130.397","0.002","90","","5341","3","110","2","110","2","","","","","","","","8","C 1 c 1","C -2yc","9","2-DMAP3","","","- C57 H60 F6 Hg N6 O P Sb -","- C57 H60 F6 Hg N6 O P Sb -","- C228 H240 F24 Hg4 N24 O4 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0286","0.0267","","","0.0611","0.0621","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515027","12.689","0.008","13.651","0.009","16.06","0.01","97.184","0.007","95.058","0.007","102.804","0.007","2672","3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","2-F","","","- C68 H52 F2 Hg2 O Sb2 -","- C68 H52 F2 Hg2 O Sb2 -","- C136 H104 F4 Hg4 O2 Sb4 -","2","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0476","0.0352","","","0.0832","0.0907","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515028","13.2206","0.0015","21.054","0.002","13.5998","0.0015","90","","118.154","0.001","90","","3337.6","0.6","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2-THF","","","- C38 H34 F6 Hg O1.5 P Sb -","- C38 H34 F6 Hg O1.5 P Sb -","- C152 H136 F24 Hg4 O6 P4 Sb4 -","4","1","","Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.","Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex","Chemical Science","2012","3","4","1128","","10.1039/c2sc00904h","","","0.71073","MoKα","","0.0231","0.0212","","","0.0503","0.0512","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515029","11.0114","0.0018","14.456","0.003","15.04","0.003","86.364","0.003","88.837","0.003","84.021","0.003","2376","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 I N4 O Pd S2 -","- C18 H29 I N4 O Pd S2 -","- C72 H116 I4 N16 O4 Pd4 S8 -","4","2","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0853","0.0487","","","0.1042","0.1193","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515030","9.4934","0.0009","12.8359","0.0012","12.9362","0.0012","85.96","0.002","70.27","0.002","84.36","0.002","1475.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N5 Pd S3 -","- C28 H33 N5 Pd S3 -","- C56 H66 N10 Pd2 S6 -","2","1","","Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen","“Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes","Chemical Science","2012","3","4","1211","","10.1039/c2sc00888b","","","0.71073","MoKα","","0.0647","0.0524","","","0.1356","0.1422","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515031","22.414","0.009","23.022","0.009","23.782","0.009","95.8178","0.0002","116.725","0.003","114.544","0.004","9322","6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H178 Cu5 Ga30 N23 S54 -","- C52 Cu4.96 Ga30.04 N12 S54 -","- C104 Cu9.92 Ga60.08 N24 S108 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.093","0.0753","","","0.1712","0.1816","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515032","22.168","0.005","22.846","0.005","24.663","0.007","115.174","0.008","111.389","0.014","96.407","0.011","9985","5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C97.5 H192 Cl Cu5 Ga30 N24 S53.5 -","- C66 Cl Cu4.96 Ga30.04 N15 S53.5 -","- C132 Cl2 Cu9.92 Ga60.08 N30 S107 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.1058","0.0822","","","0.1456","0.1548","","","","","","1.012","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515033","23.617","0.002","40.808","0.004","46.252","0.005","90","","94.748","0.002","90","","44423","7","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C108 H210 Cl2 Cu5 In30 N25 S54 -","- C81 Cl2 Cu4.999 In30.001 N18 S54 -","- C648 Cl16 Cu39.992 In240.008 N144 S432 -","8","1","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0732","0.0652","","","0.1593","0.1653","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515034","23.018","0.003","23.018","0.003","42.321","0.007","90","","90","","120","","19419","5","123","2","123","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C90 H186 Cu5 Ga30 N23 S56 -","- C47.12 Cu4.96 Ga30.04 N10.47 S56 -","- C188.48 Cu19.84 Ga120.16 N41.88 S224 -","4","0.333333","","Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying","Largest discrete supertetrahedral clusters synthesized in ionic liquids","Chemical Science","2012","3","4","1200","","10.1039/c2sc00824f","","","0.71073","MoKα","","0.0891","0.0797","","","0.1516","0.1568","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515035","13.831","0.006","16.175","0.007","18.572","0.009","90","","111.6","0.06","90","","3863","3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Fe N2 O9 -","- C42 H46 Fe N2 O9 -","- C168 H184 Fe4 N8 O36 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","MoKα","","0.1588","0.0841","","0.2217","0.1624","0.2217","","","","","","1.0844","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515036","11.106","0.003","17.783","0.004","19.841","0.005","95.61","0.04","100.94","0.03","106.08","0.03","3649.6","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H84 Cl Fe N5 O17 -","- C74 H84 Cl Fe N5 O17 -","- C148 H168 Cl2 Fe2 N10 O34 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.2361","0.1631","","0.3955","0.2994","0.3955","","","","","","0.8743","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515037","15.7014","0.0011","18.6485","0.0008","28.3126","0.0016","98.202","0.004","99.703","0.005","102.308","0.005","7845.3","0.8","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C152 H172 Cl14 Fe2 N10 O34 -","- C152 H172 Cl14 Fe2 N10 O34 -","- C304 H344 Cl28 Fe4 N20 O68 -","2","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","1.54184","CuKα","","0.1313","0.0813","","0.1713","0.1301","0.1707","","","","","","0.9936","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515038","14.26","0.001","39.5","0.001","14.26","0.001","90","","95.55","0.01","90","","7994.6","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 Cl Fe N5 O17 S2 -","- C76 H92 Cl Fe N5 O17 S2 -","- C304 H368 Cl4 Fe4 N20 O68 S8 -","4","1","","Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D.","Solution and surface-confined chloride anion templated redox-active ferrocene catenanes","Chemical Science","2012","3","4","1080","","10.1039/c2sc00909a","","","0.6889","Synchrotron","","0.1922","0.173","","0.3951","0.3682","0.3951","","","","","","1.0676","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515039","19.5557","0.0018","20.1957","0.0019","30.683","0.003","99.204","0.001","101.673","0.002","95.081","0.002","11622.6","1.9","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C93 H117 F6 N7 O8 Pt2 S2 -","- C93 H117 F6 N7 O8 Pt2 S2 -","- C372 H468 F24 N28 O32 Pt8 S8 -","4","2","","Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian","Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI)","Chemical Science","2012","3","4","1185","","10.1039/c2sc00935h","","","0.71073","MoKα","","0.1284","0.0626","","","0.158","0.1833","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515040","11.2309","0.0006","23.8183","0.0012","20.3932","0.0011","90","","102.308","0.005","90","","5329.8","0.5","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0811","0.0688","","0.0944","0.0808","0.0756","","","","","","1.0638","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515041","11.3478","0.0013","24.0164","0.0016","20.6607","0.0017","90","","102.06","0.009","90","","5506.5","0.9","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Gd6 N11 O54 -","- C69 H93 Cu2 Gd6 N11 O54 -","- C138 H186 Cu4 Gd12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0878","0.0697","","0.0866","0.073","0.0695","","","","","","1.0001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515042","11.259","0.005","24.017","0.005","20.506","0.005","90","","101.793","0.005","90","","5428","3","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 Dy6 N11 O54 -","- C69 H93 Cu2 Dy6 N11 O54 -","- C138 H186 Cu4 Dy12 N22 O108 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.0765","0.0589","","0.0723","0.0602","0.0576","","","","","","1.0794","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515043","11.36","","24","","20.66","","90","","101.988","0.0001","90","","5509.9","0.002","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H93 Cu2 N11 O54 Y6 -","- C69 H93 Cu2 N11 O54 Y6 -","- C138 H186 Cu4 N22 O108 Y12 -","2","1","","Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.","Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets","Chemical Science","2012","3","4","1169","","10.1039/c2sc00728b","","","0.71069","MoKα","","0.2348","0.1076","","0.1178","0.1011","0.1004","","","","","","1.1358","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515044","9.5107","0.0004","10.1897","0.0005","27.7823","0.0013","90","","90","","90","","2692.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.051","0.0466","","","0.1076","0.1099","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515045","21.316","0.002","6.3205","0.0006","17.4926","0.0017","90","","112.859","0.002","90","","2171.6","0.4","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C84 H84 Br4 N8 O16 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.0884","0.0479","","","0.1018","0.1286","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515046","26.3208","0.0013","15.7874","0.0015","18.718","0.003","90","","115.474","0.009","90","","7021.8","1.5","122","1","122","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cr Dy2 F38 N5 O16 -","- C50 H28 Cr Dy2 F38 N5 O16 -","- C200 H112 Cr4 Dy8 F152 N20 O64 -","4","0.5","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0619","0.0414","","","0.0954","0.1073","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515047","12.515","0.005","19.836","0.007","21.392","0.006","85.52","0.03","81.35","0.04","86.229","0.019","5226","3","122","1","122","1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H24 Cr Dy F26 N4 O8 -","- C40 H24 Cr Dy F26 N4 O8 -","- C160 H96 Cr4 Dy4 F104 N16 O32 -","4","2","","Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald","Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster","Chemical Science","2012","3","4","1024","","10.1039/c2sc00794k","","","0.71073","MoKα","","0.0727","0.0426","","","0.087","0.0946","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515048","48.8463","0.0007","48.8463","0.0007","48.8463","0.0007","90","","90","","90","","116545","3","123","2","123","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C348 H354 Cl6 Co24 N6 O72 S24 -","- C336 H312 Cl6 Co24 O72 S24 -","- C2688 H2496 Cl48 Co192 O576 S192 -","8","0.166667","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun","Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges","Chemical Science","2012","3","7","2321","","10.1039/c2sc20264f","","","0.71073","MoKα","","0.1172","0.092","","","0.2329","0.2494","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515049","12.5958","0.0016","15.8","0.002","20.902","0.003","76.137","0.002","76.659","0.002","83.229","0.002","3921","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)YH2)2(THF)3","","","- C74 H106 N4 O3 Y2 -","- C74 H106 N4 O3 Y2 -","- C148 H212 N8 O6 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0935","0.058","","","0.1398","0.1518","","","","","","0.953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515050","13.2117","0.0018","14.827","0.002","23.057","0.003","81.78","0.002","73.628","0.002","66.103","0.002","3959.9","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH2)2(THF)3","","","- C81 H114 Lu2 N4 O3 -","- C81 H114 Lu2 N4 O3 -","- C162 H228 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.062","0.0498","","","0.1252","0.1317","","","","","","1.064","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515051","13.0663","0.0019","38.724","0.006","15.781","0.002","90","","93.796","0.003","90","","7967","2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","((PhNCN)2Y2H3(OC4H9))(THF)3","","","- C81 H123 N4 O4.5 Si Y2 -","- C81 H123 N4 O4.5 Si Y2 -","- C324 H492 N16 O18 Si4 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.1443","0.0629","","","0.1162","0.143","","","","","","0.966","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515052","11.898","0.003","23.121","0.006","35.564","0.009","90","","90.028","0.004","90","","9783","4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((PhNCN)YH)2(CH2NAr*)(THF)3","","","- C83 H115 N5 O3 Y2 -","- C83 H115 N5 O3 Y2 -","- C332 H460 N20 O12 Y8 -","4","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0881","0.0541","","","0.1301","0.1407","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515053","13.437","0.002","14.939","0.003","22.326","0.004","107.399","0.003","102.549","0.003","100.158","0.003","4031.9","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)2Lu2H3(THF)3)(PhCCHPh)","","","- C88 H116 Lu2 N4 O3 -","- C88 H116 Lu2 N4 O3 -","- C176 H232 Lu4 N8 O6 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.071","0.0452","","","0.0937","0.1015","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515054","12.53","0.005","16.733","0.005","22.194","0.005","107.824","0.005","103.291","0.005","91.97","0.005","4284","2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","(PhNCNLuH(THF))2(PhCHCHPh)","","","- C84 H108 Lu2 N4 O2 -","- C84 H108 Lu2 N4 O2 -","- C168 H216 Lu4 N8 O4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0756","0.0475","","","0.1006","0.1081","","","","","","0.928","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515055","15.161","0.002","17.449","0.003","18.27","0.003","76.958","0.003","76.864","0.003","70.969","0.003","4388.8","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((Ph-NCN)LuH)2(THF)(PhCHCHPh)","","","- C80 H100 Lu2 N4 O -","- C80 H100 Lu2 N4 O -","- C160 H200 Lu4 N8 O2 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0667","0.0445","","","0.0844","0.0895","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515056","13.731","0.003","15.277","0.003","22.821","0.005","97.855","0.003","98.334","0.003","99.894","0.003","4601.6","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","((PhNCN)YH(THF))2(PhCHCCCHPh)","","","- C86 H108 N4 O2 Y2 -","- C86 H108 N4 O2 Y2 -","- C172 H216 N8 O4 Y4 -","2","1","","Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin","Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands","Chemical Science","2012","3","7","2230","","10.1039/c2sc20300f","","","0.71073","MoKα","","0.0727","0.0475","","","0.1089","0.1171","","","","","","0.944","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515057","19.3772","0.0008","34.3744","0.001","20.7308","0.0007","90","","115.432","0.002","90","","12470.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H0 Co5 O25 -","- C159 Co5 O25 -","- C318 Co10 O50 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.0912","0.0602","","","0.1493","0.1655","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515058","20.6536","0.0003","33.4974","0.0005","20.7926","0.0003","90","","118.619","0.001","90","","12627.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C159 H O24 Zn4 -","- C159 O24 Zn4 -","- C318 O48 Zn8 -","2","1","","Wen, Liang; Cheng, Peng; Lin, Wenbin","Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities","Chemical Science","2012","3","7","2288","","10.1039/c2sc20172k","","","1.54178","CuKα","","0.1038","0.0868","","","0.2131","0.2226","","","","","","1.32","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515059","10.5431","0.0011","9.835","0.0012","12.1245","0.001","90","","92.891","0.003","90","","1255.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O4 S -","- C10 H18 N2 O4 S -","- C40 H72 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.1069","0.0724","","","0.181","0.2067","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515060","10.1825","0.0006","21.4793","0.0014","20.4614","0.0012","90","","103.9","0.002","90","","4344.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N2 O6 S -","- C19 H32 N2 O6 S -","- C152 H256 N16 O48 S8 -","8","2","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0793","0.0613","","","0.1464","0.1554","","","","","","1.113","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515061","5.8032","0.0008","20.518","0.003","12.8411","0.0017","90","","97.101","0.004","90","","1517.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C60 H80 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0435","0.0349","","","0.0869","0.0908","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515062","6.5173","0.0006","21.874","0.002","15.6036","0.0013","90","","90.991","0.003","90","","2224.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0691","0.0414","","","0.0965","0.1074","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515063","13.355","0.003","10.423","0.002","11.32","0.002","90","","107.797","0.007","90","","1500.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N2 O4 S -","- C13 H22 N2 O4 S -","- C52 H88 N8 O16 S4 -","4","1","","Chávez, Patricia; Kirsch, Jonathan; Hövelmann, Claas H.; Streuff, Jan; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C.; Martin, Eddy; Muñiz, Kilian","Metal-free diamination of alkenes employing bromide catalysis","Chemical Science","2012","3","7","2375","","10.1039/c2sc20242e","","","0.71073","MoKα","","0.0811","0.0498","","","0.1171","0.1298","","","","","","1.058","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515064","15.6077","0.0013","24.196","0.002","38.766","0.003","90","","90","","90","","14640","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C101.5 H146.5 O96 Pb14 -","- C102 H135 O96 Pb14 -","- C408 H540 O384 Pb56 -","4","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0344","0.0285","","","0.0609","0.063","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515065","20.126","0.003","18.866","0.003","22.188","0.004","90","","94.783","0.002","90","","8395","2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C96 H128 O89 Pb16 -","- C96 H128 O89 Pb16 -","- C192 H256 O178 Pb32 -","2","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0707","0.0588","","","0.1516","0.1613","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515066","9.58","0.0019","16.55","0.003","7.69","0.0015","90","","112.13","0.03","90","","1129.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Butyl-linked bis-thymine propanoate","Butyl-linked bis-thymine propanoate","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C44 H60 N8 O16 -","2","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.71253","synchrotron","","0.0468","0.0446","","","0.1147","0.1164","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515067","22.4706","0.0005","9.36","0.0019","16.0501","0.0003","90","","131.959","0.003","90","","2510.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hexyl-linked bis-thymine propanoate","Hexyl-linked bis-thymine propanoate","","- C24 H36 N4 O9 -","- C24 H36 N4 O9 -","- C96 H144 N16 O36 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710699","Synchrotron","","0.0498","0.0459","","","0.1191","0.1217","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515068","22.26","0.003","22.26","0.003","4.77","0.001","90","","90","","90","","2363.6","0.7","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","Butyl-linked bis-thymine propamide","Butyl-linked bis-thymine propamide","","- C20 H30 N6 O7 -","- C20 H30 N6 O7 -","- C80 H120 N24 O28 -","4","0.5","","Johnston, Priscilla; Braybrook, Carl; Saito, Kei","Topochemical photo-reversible polymerization of a bioinspired monomer and its recovery and repolymerization after photo-depolymerization","Chemical Science","2012","3","7","2301","","10.1039/c2sc20380d","","","0.710702","synchrotron","","0.0844","0.0574","","","0.1452","0.1613","","","","","","1.072","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515069","9.824","0.004","20.306","0.008","36.358","0.013","90","","90","","90","","7253","5","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H94 O12 -","- C84 H94 O12 -","- C336 H376 O48 -","4","1","","Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro","Size-selective synthesis of [9]–[11] and [13]cycloparaphenylenes","Chemical Science","2012","3","7","2340","","10.1039/c2sc20343j","","","0.71075","MoKα","","0.1016","0.0877","","","0.2429","0.2575","","","","","","1.102","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515070","12.565","0.002","29.618","0.005","9.858","0.002","90","","105.695","0.003","90","","3531.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H31 Co N3 O9.5 -","- C32.75 H24 Co N3 O7.75 -","- C131 H96 Co4 N12 O31 -","4","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.167","0.114","","","0.298","0.354","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515071","10.09","0.002","16.362","0.003","24.453","0.005","106.75","0.03","92.97","0.03","103.16","0.03","3734.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 Co2 N10 O18 -","- C60 H32 Co2 N6 O12 -","- C120 H64 Co4 N12 O24 -","2","1","","Yang, Wenbin; Davies, Andrew J.; Lin, Xiang; Suyetin, Mikhail; Matsuda, Ryotaro; Blake, Alexander J.; Wilson, Claire; Lewis, William; Parker, Julia E.; Tang, Chiu C.; George, Michael W.; Hubberstey, Peter; Kitagawa, Susumu; Sakamoto, Hirotoshi; Bichoutskaia, Elena; Champness, Neil R.; Yang, Sihai; Schröder, Martin","Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bifunctional metal‒organic framework","Chemical Science","2012","3","10","2993","","10.1039/c2sc20443f","","","0.71073","MoKα","","0.118","0.0752","","","0.202","0.222","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515072","13.83","0.003","8.0116","0.0014","21.166","0.004","90","","104.203","0.008","90","","2273.5","0.8","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0768","0.0616","","","0.169","0.1851","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515073","15.778","0.003","16.681","0.003","8.324","0.0017","90","","95.55","0.03","90","","2180.5","0.7","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Meng, Wei; Zhao, Hai-Tao; Nie, Jing; Zheng, Yan; Fu, Aiping; Ma, Jun-An","Allenoate-derived 1,5-, 1,7-, and 1,9-zwitterions as highly versatile coupling-partners for phosphine-triggered cycloaddition reactions","Chemical Science","2012","3","10","3053","","10.1039/c2sc20805a","","","0.71073","MoKα","","0.0638","0.0469","","","0.1033","0.1147","","","","","","0.849","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515074","12.9325","0.0002","8.0103","0.0001","19.3676","0.0003","90","","105.363","0.001","90","","1934.66","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 -","- C48 H32 -","- C96 H64 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0432","0.0414","","","0.1115","0.1126","","","","","","1.088","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515075","15.9075","0.0004","8.1405","0.0002","20.7418","0.0006","90","","108.655","0.002","90","","2544.84","0.12","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 -","- C60 H40 -","- C120 H80 -","2","0.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.0583","0.0505","","","0.1416","0.1464","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515076","12.8737","0.0003","19.0556","0.0004","27.2224","0.0006","69.54","0.002","79.038","0.002","79.051","0.002","6087.1","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C120 H40 -","- C120 H40 -","- C360 H120 -","3","1.5","","Xia, Jianlong; Bacon, Jeffrey W.; Jasti, Ramesh","Gram-scale synthesis and crystal structures of [8]- and [10]CPP, and the solid-state structure of C60@[10]CPP","Chemical Science","2012","3","10","3018","","10.1039/c2sc20719b","","","1.54178","CuKα","","0.1079","0.0766","","","0.2104","0.2236","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515077","28.532","0.003","33.426","0.003","16.0881","0.0014","90","","90","","90","","15343","3","296","2","296","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C81 H28 Cu2 O18 -","- C81 H28 Cu2 O18 -","- C324 H112 Cu8 O72 -","4","0.5","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.1115","0.0685","","","0.1823","0.1957","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515078","36.3615","0.0003","36.3615","0.0003","34.7679","0.0006","90","","90","","90","","45968.7","1","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C34.71 H20 O8 Zn1.71 -","- C34.7143 H20 O8 Zn1.71429 -","- C972 H560 O224 Zn48 -","28","1.75","","Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin","A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities","Chemical Science","2012","3","10","3032","","10.1039/c2sc20601c","","","1.54178","CuKα","","0.0478","0.0388","","","0.0933","0.0966","","","","","","0.954","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515079","9.232","0.0004","9.9138","0.0004","13.3547","0.0005","105.125","0.002","102.783","0.002","100.418","0.002","1113.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","- C42 H74 I2 Mn2 O2 -","1","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0329","0.0305","","","0.0718","0.073","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515080","27.5131","0.0008","12.7588","0.0004","25.2896","0.0007","90","","114.339","0.002","90","","8088.5","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","1.54178","CuKα","","0.0404","0.0363","","","0.0865","0.0884","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515081","27.484","0.0004","12.7411","0.0002","25.273","0.0004","90","","114.331","0.002","90","","8064","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H146 Mn5 -","- C78 H146 Mn5 -","- C312 H584 Mn20 -","4","0.5","","Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.","Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis","Chemical Science","2012","3","10","2972","","10.1039/c2sc20737k","","","0.71073","MoKα","","0.0479","0.0269","","","0.0569","0.0592","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515082","10.149","0.0001","11.5785","0.0001","19.7361","0.0001","90","","93.295","0.001","90","","2315.36","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C26.5 H22 Cl3 N O3 -","- C26.5 H22 Cl3 N O3 -","- C106 H88 Cl12 N4 O12 -","4","2","","Gómez-Bengoa, Enrique; Jiménez, Jacqueline; Lapuerta, Irati; Mielgo, Antonia; Oiarbide, Mikel; Otazo, Itziar; Velilla, Irene; Vera, Silvia; Palomo, Claudio","Combined α,α-dialkylprolinol ether/Brønsted acid promotes Mannich reactions of aldehydes with unactivated imines. An entry to anti-configured propargylic amino alcohols","Chemical Science","2012","3","10","2949","","10.1039/c2sc20590d","","x-ray","1.54184","CuKα","","0.0314","0.0302","","","0.0805","0.0816","","","","","","0.976","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515083","7.8946","0.0006","5.9692","0.0004","10.8812","0.001","90","","92.454","0.003","90","","512.3","0.07","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0728","0.0302","","0.0735","0.0466","0.0735","","","","","","1.0241","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515084","7.8401","0.0006","5.9549","0.0004","10.8935","0.001","90","","92.556","0.003","90","","508.08","0.07","250","","250","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0673","0.0284","","0.0699","0.0463","0.0699","","","","","","1.0417","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515085","7.7899","0.0006","5.9402","0.0004","10.9075","0.001","90","","92.67","0.003","90","","504.18","0.07","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0615","0.0253","","0.0843","0.0538","0.0843","","","","","","1.0074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515086","7.7378","0.0006","5.9245","0.0004","10.9232","0.0009","90","","92.821","0.003","90","","500.14","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0562","0.0256","","0.0642","0.0418","0.0642","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515087","7.6885","0.0006","5.9097","0.0004","10.9351","0.0009","90","","92.984","0.003","90","","496.18","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.0547","0.0251","","0.0636","0.0438","0.0636","","","","","","1.0166","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515088","7.8926","0.0005","5.9767","0.0003","10.8739","0.0006","90","","92.47","0.005","90","","512.46","0.05","293","","293","","","","101.325","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0379","0.0248","","0.0681","0.0602","0.0681","","","","","","1.0721","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515089","7.433","0.002","5.8092","0.0003","10.9101","0.0005","90","","93.736","0.01","90","","470.09","0.13","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1072","0.0821","","0.2123","0.2029","0.2123","","","","","","1.1132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515090","7.2027","0.0016","5.6926","0.0003","10.9057","0.0004","90","","94.504","0.008","90","","445.78","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.1055","0.0891","","0.2574","0.2447","0.2574","","","","","","1.0632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515091","7.0544","0.0017","5.6024","0.0003","10.8873","0.0004","90","","95.062","0.009","90","","428.61","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0996","0.0728","","0.191","0.1758","0.191","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515092","6.992","0.0013","5.559","0.0002","10.875","0.0004","90","","95.344","0.007","90","","420.86","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0954","0.0772","","0.2066","0.1932","0.2066","","","","","","0.9796","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515093","6.9259","0.0016","5.5072","0.0002","10.8549","0.0004","90","","95.667","0.008","90","","412.01","0.1","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","","0.71073","MoKα","","0.102","0.0751","","0.2048","0.1891","0.2048","","","","","","1.0542","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515094","6.871","0.0013","5.467","0.0002","10.8393","0.0003","90","","95.878","0.007","90","","405.02","0.08","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.0753","0.0601","","0.1595","0.1492","0.1595","","","","","","1.0147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515095","6.828","0.002","5.4298","0.0003","10.8209","0.0005","90","","96.076","0.011","90","","398.93","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L.","Supramolecular mechanics in a metal‒organic framework","Chemical Science","2012","3","10","3011","","10.1039/c2sc20596c","","x-ray","0.71073","MoKα","","0.082","0.0615","","0.1545","0.141","0.1545","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515096","17.533","0.0012","20.0767","0.0014","21.7131","0.0015","90","","96.387","0.001","90","","7595.7","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Ag F9 N8 O9 S3 -","- C69 H54 Ag F9 N8 O9 S3 -","- C276 H216 Ag4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1069","0.0652","","","0.1645","0.1807","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515097","17.1508","0.0014","16.7972","0.0014","24.955","0.002","90","","106.286","0.001","90","","6900.7","1","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C136 H104 Ag4 F12 N16 O12 S4 -","- C136 H104 Ag4 F12 N16 O12 S4 -","- C272 H208 Ag8 F24 N32 O24 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0951","0.0816","","","0.2243","0.2372","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515098","14.122","0.002","17.707","0.003","32.571","0.005","93.111","0.002","97.694","0.002","109.952","0.002","7543","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H104 Ag4 F24 N16 P4 -","- C132 H104 Ag4 F24 N16 P4 -","- C264 H208 Ag8 F48 N32 P8 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0648","0.0447","","","0.1148","0.1231","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515099","28.295","0.003","8.808","0.001","29.743","0.003","90","","97.637","0.001","90","","7346.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pt S2 -","- C68 H52 F6 N8 O6 Pt S2 -","- C272 H208 F24 N32 O24 Pt4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0973","0.0736","","","0.1712","0.1794","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515100","12.306","0.002","18.427","0.004","16.292","0.003","90","","100.907","0.002","90","","3627.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H64 F6 N8 O8 Ru S4 -","- C72 H64 F6 N8 O8 Ru S4 -","- C144 H128 F12 N16 O16 Ru2 S8 -","2","0.5","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1459","0.1099","","","0.3146","0.3419","","","","","","1.249","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515101","16.995","0.004","13.564","0.003","27.388","0.006","90","","93.097","0.003","90","","6304","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C69 H54 Cl2 Co F6 N8 O6 S2 -","- C276 H216 Cl8 Co4 F24 N32 O24 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1278","0.0915","","","0.239","0.277","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515102","12.1931","0.0013","13.7529","0.0015","18.886","0.002","90","","91.471","0.001","90","","3166","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl2 Cr F6 N10 P -","- C70 H58 Cl2 Cr F6 N10 P -","- C140 H116 Cl4 Cr2 F12 N20 P2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0831","0.0436","","","0.1078","0.1404","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515103","33.096","0.002","16.4589","0.0012","26.678","0.003","90","","120.04","0.001","90","","12580.1","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C68 H54 Ag3 Cl4 F3 N8 O3 S -","- C544 H432 Ag24 Cl32 F24 N64 O24 S8 -","8","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0754","0.0474","","","0.1295","0.1504","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515104","28.29","0.003","8.8229","0.0009","29.69","0.003","90","","97.815","0.001","90","","7341.8","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H52 F6 N8 O6 Pd S2 -","- C68 H52 F6 N8 O6 Pd S2 -","- C272 H208 F24 N32 O24 Pd4 S8 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1163","0.0697","","","0.1614","0.1783","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515105","17.1544","0.0005","28.6906","0.0009","29.7309","0.0009","90","","104.592","0.001","90","","14160.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 F6 N8 Ni O6 S2 -","- C68 H52 F6 N8 Ni O6 S2 -","- C544 H416 F48 N64 Ni8 O48 S16 -","8","2","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1122","0.0676","","","0.1734","0.1901","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515106","12.646","0.005","13.785","0.006","18.779","0.008","90","","90.702","0.005","90","","3273","2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C66 H52 F6 I2 N8 P Rh -","- C66 H52 F6 I2 N8 P Rh -","- C132 H104 F12 I4 N16 P2 Rh2 -","2","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.1692","0.1127","","","0.2865","0.3143","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515107","18.2751","0.0017","13.6076","0.0013","27.721","0.003","90","","92.926","0.001","90","","6884.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H52 Au F9 N8 O9 S3 -","- C69 H52 Au F9 N8 O9 S3 -","- C276 H208 Au4 F36 N32 O36 S12 -","4","1","","Lu, Zheng; Cramer, S. Alan; Jenkins, David M.","Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes","Chemical Science","2012","3","10","3081","","10.1039/c2sc20628e","","","0.71073","MoKα","","0.0971","0.071","","","0.204","0.2208","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515108","13.6543","0.0006","24.252","0.001","18.6535","0.0008","90","","94.437","0.002","90","","6158.5","0.5","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C45 H35 Cl4 Co2 F18 N10 O2 P3 -","- C180 H140 Cl16 Co8 F72 N40 O8 P12 -","4","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0793","0.0668","","","0.1823","0.1915","","","","","","1.033","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515109","12.15","0.004","13.31","0.004","17.433","0.005","95.7","0.02","96.001","0.019","107.53","0.03","2648","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H53 Co2 F18 N14 O3 P3 -","- C47 H53 Co2 F18 N14 O3 P3 -","- C94 H106 Co4 F36 N28 O6 P6 -","2","1","","Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S.","Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution","Chemical Science","2012","3","10","3058","","10.1039/c2sc20755a","","","0.71073","MoKα","","0.0438","0.0384","","","0.1095","0.1132","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515110","8.6872","0.0008","24.892","0.002","12.6503","0.0012","90","","92.44","0.002","90","","2733","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DACBr2","","","- C25 H29 Br2 Cl3 N2 O2 -","- C25 H29 Br2 Cl3 N2 O2 -","- C100 H116 Br8 Cl12 N8 O8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0468","0.038","","","0.0816","0.0861","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515111","18.893","0.002","8.2648","0.0009","17.927","0.002","90","","108.099","0.002","90","","2660.7","0.5","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","6satMesBr2","","","- C23 H29 Br2 Cl3 N2 -","- C23 H29 Br2 Cl3 N2 -","- C92 H116 Br8 Cl12 N8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.063","0.0528","","","0.1352","0.1419","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515112","28.784","0.003","28.621","0.003","13.801","0.0013","90","","90","","90","","11370","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SIMesBr2","","","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C360 H440 Br32 Cl72 N32 -","16","2","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0885","0.0577","","","0.134","0.1514","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515113","8.005","0.006","8.772","0.006","16.048","0.011","91.431","0.009","103.924","0.009","98.836","0.007","1078.5","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACUrea","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0776","0.0528","","","0.1531","0.1877","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515114","14.9337","0.0012","11.8693","0.0009","13.6108","0.0011","90","","92.054","0.002","90","","2411","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DACDimethyldisulfide","","","- C26 H34 N2 O2 S2 -","- C26 H34 N2 O2 S2 -","- C104 H136 N8 O8 S8 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0635","0.0532","","","0.1449","0.1542","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515115","11.0307","0.0015","12.136","0.0016","12.8498","0.0017","69.777","0.003","79.796","0.003","85.828","0.003","1588.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DACDiphenylsulfide","","","- C36 H38 N2 O2 S2 -","- C36 H38 N2 O2 S2 -","- C72 H76 N4 O4 S4 -","2","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1148","0.0644","","","0.1335","0.1587","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515116","11.5","0.002","17.626","0.004","14.155","0.003","90","","91.498","0.004","90","","2868.2","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DACAcenapthenedione","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","1","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.1145","0.0613","","","0.1312","0.1579","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515117","19.076","0.006","9.301","0.003","10.997","0.003","90","","90","","90","","1951.2","1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H10 B2 N2 -","- C10 H10 B2 N2 -","- C80 H80 B16 N16 -","8","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0743","0.0463","","","0.1012","0.1157","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515118","23.388","0.011","31.934","0.015","5.423","0.003","90","","90","","90","","4050","4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H10 B N -","- C12 H10 B N -","- C192 H160 B16 N16 -","16","1","","Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan","BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair","Chemical Science","2012","3","3","825","","10.1039/c1sc00500f","","","0.71073","MoKα","","0.0946","0.0571","","","0.1043","0.1198","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515119","9.537","0.007","11.248","0.009","12.439","0.01","107.701","0.009","97.463","0.006","104.937","0.01","1196.4","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.6889","synchrotron","","0.1108","0.081","","","0.2357","0.2662","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515120","9.51","0.017","11.31","0.02","12.46","0.02","107.583","0.019","97.533","0.014","104.719","0.019","1204","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1709","0.1249","","","0.2658","0.2959","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515121","9.525","0.012","11.38","0.015","12.488","0.016","107.619","0.015","97.507","0.01","104.894","0.016","1214","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Coles, Simon J.; Gale, Philip A.","Changing and challenging times for service crystallography","Chemical Science","2012","3","3","683","","10.1039/c2sc00955b","","","0.71073","MoKα","","0.1329","0.0855","","","0.23","0.2674","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515122","9.534","0.002","19.6","0.005","10.977","0.003","90","","110.365","0.003","90","","1923","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.2384","0.0512","","","0.1108","0.1584","","","","","","0.797","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515123","16.399","0.003","7.8427","0.0014","16.851","0.003","90","","108.538","0.003","90","","2054.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C88 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.1239","0.0426","","","0.0927","0.1168","","","","","","0.844","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515124","14.348","0.005","11.622","0.004","16.672","0.006","90","","103.442","0.005","90","","2703.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C112 H128 O40 -","8","2","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0774","0.0548","","","0.1582","0.1693","","","","","","2.011","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515125","11.21","0.005","16.029","0.007","11.499","0.005","90","","102.731","0.007","90","","2015.4","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O4 -","- C21 H29 N O4 -","- C84 H116 N4 O16 -","4","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.0712","0.0451","","","0.111","0.1225","","","","","","1.175","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515126","17.443","0.004","21.703","0.005","9.844","0.002","90","","90","","90","","3726.6","1.4","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C152 H168 N24 O32 -","8","1","","Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.","Low-temperature ketene formation in materials chemistry through molecular engineering","Chemical Science","2012","3","3","766","","10.1039/c2sc00841f","","","0.71073","MoKα","","0.247","0.1313","","","0.2684","0.307","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515127","9.6914","0.0001","12.1082","0.0001","22.0163","0.0003","80.771","0.0004","79.72","0.0005","73.3185","0.0005","2418.67","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","Ti(NAr)(NHAr)2(py)2","","- C46 H63 N5 Ti -","- C46 H63 N5 Ti -","- C92 H126 N10 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.0899","0.0685","","0.0799","0.0645","0.0614","","","","","","0.9984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515128","10.2991","0.0007","19.4178","0.0012","13.0747","0.0009","90","","101.982","0.004","90","","2557.8","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ti(Me)(NAr)3{Li(py)}3","","- C52 H69 Li3 N6 Ti -","- C52 H69 Li3 N6 Ti -","- C104 H138 Li6 N12 Ti2 -","2","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1163","0.0708","","0.0841","0.0535","0.0493","","","","","","1.1051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515129","18.4575","0.0002","16.9731","0.0002","17.726","0.0002","90","","90","","90","","5553.22","0.11","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","Ti(NAr)2(NHAr)2{Li(py)}2","","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C57.5 H82.5 Li2 N5.5 O0.5 Ti -","- C230 H330 Li8 N22 O2 Ti4 -","4","1","","Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip","The first group 4 metal bis(imido) and tris(imido) complexes","Chemical Science","2012","3","3","819","","10.1039/c1sc00786f","","","0.71073","MoKα","","0.1352","0.065","","0.1332","0.0624","0.0557","","","","","","1.1681","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515130","23.769","0.003","15.938","0.003","13.3495","0.0011","90","","102.022","0.009","90","","4946.3","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N2 O14 Ru2 -","- C40 H46 N2 O14 Ru2 -","- C160 H184 N8 O56 Ru8 -","4","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.031","0.0269","","","0.0729","0.0759","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515131","16.0499","0.0016","24.504","0.004","26.963","0.004","70.041","0.01","77.399","0.012","81.696","0.009","9699","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","- C259 H247 Cl69 N8 O56 Ru8 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.1571","0.1234","","","0.3466","0.3818","","","","","","1.48","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515132","12.0083","0.0018","15.379","0.004","20.885","0.003","85.969","0.016","78.367","0.01","87.615","0.016","3766.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","- C122 H120 Cl8 N4 O28 Ru4 -","1","0.5","","Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay","A solvent-responsive coordination cage","Chemical Science","2012","3","3","701","","10.1039/c1sc00779c","","","0.71073","MoKα","","0.0977","0.0904","","","0.1965","0.1993","","","","","","1.211","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515133","16.2749","0.0009","7.2655","0.0004","22.8836","0.0013","90","","91.975","0.002","90","","2704.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Au F6 N4 P -","- C28 H24 Au F6 N4 P -","- C112 H96 Au4 F24 N16 P4 -","4","1","","Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming","Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations","Chemical Science","2012","3","3","752","","10.1039/c2sc00947a","","","1.54178","CuKα","","0.0713","0.0607","","","0.1531","0.1623","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515134","7.0177","0.0006","7.4499","0.0006","10.1765","0.0008","90","","90","","90","","532.04","0.08","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F6 Fe2 Rb -","- F6 Fe2 Rb -","- F24 Fe8 Rb4 -","4","0.5","","Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J.","RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride","Chemical Science","2012","3","3","741","","10.1039/c2sc00765g","","","0.71073","MoKα","","0.0246","0.0214","","","0.0485","0.0497","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515135","12.85","0.005","15.422","0.005","16.768","0.005","66.868","0.005","88.549","0.005","80.667","0.005","3012.7","1.8","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C44.1 H48.4 F12 N6 O8.1 Pd Sb2 -","- C88.2 H96.8 F24 N12 O16.2 Pd2 Sb4 -","2","1","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71069","MoKα","","0.067","0.0518","","","0.1387","0.1499","","","","","","1.097","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515136","11.9663","0.0019","12.345","0.0019","17.495","0.003","76.455","0.009","83.846","0.01","85.135","0.01","2493.3","0.7","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","- C76 H56 Cl4 N16 Pd2 Pt2 -","1","0.5","","Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.","Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery","Chemical Science","2012","3","3","778","","10.1039/c2sc00899h","","","0.71073","MoKα","","0.0965","0.0748","","","0.2226","0.2379","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515137","12.0562","0.0002","13.9646","0.0003","18.9224","0.0013","90","","90","","90","","3185.8","0.2","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H57 O4 Si2 -","- C29 H57 O4 Si2 -","- C116 H228 O16 Si8 -","4","1","","Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John","Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","3","892","895","10.1039/C2SC00866A","","","1.54178","CuKα","","0.0581","0.0562","","","0.1452","0.1471","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515138","9.731","0.003","11.057","0.004","18.275","0.005","89.321","0.018","76.443","0.017","87.163","0.019","1909.2","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H32 Fe -","- C24 H32 Fe -","- C96 H128 Fe4 -","4","2","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0979","0.0442","","","0.0939","0.1127","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515139","8.2905","0.0009","11.7186","0.0013","13.8485","0.0015","90","","106.91","0.004","90","","1287.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Fe -","- C18 H16 Fe -","- C72 H64 Fe4 -","4","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0307","0.0283","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515140","7.3925","0.0003","12.3693","0.0006","19.4209","0.0009","90","","90","","90","","1775.85","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 D4 Fe -","- C12 H12 Fe -","- C96 H96 Fe8 -","8","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0281","0.0222","","","0.0554","0.0591","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515141","30.829","0.0006","14.572","0.0007","24.908","0.0005","90","","123.658","0.005","90","","9313.8","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3 -","- C12 H16 Mn2 Mo12 N8 Na2 O73.98 P8 Zn3 -","- C48 H64 Mn8 Mo48 N32 Na8 O295.92 P32 Zn12 -","4","0.5","","Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo","Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties","Chemical Science","2012","3","3","705","","10.1039/c2sc00586g","","","0.71069","MoKα","","0.0534","0.0443","","","0.1304","0.1371","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515142","21.5894","0.0008","20.9227","0.0009","23.8146","0.0009","90","","109.321","0.002","90","","10151.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.75 H113.5 Dy2 N10 O16.25 -","- C104.75 H113.5 Dy2 N10 O16.25 -","- C419 H454 Dy8 N40 O65 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0704","0.0466","","","0.1134","0.1296","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515143","14.3544","0.0008","18.9741","0.001","23.049","0.0012","86.019","0.003","81.988","0.003","79.315","0.002","6102.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C129.5 H133.5 Dy2 N10.5 O17.5 -","- C259 H267 Dy4 N21 O35 -","2","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.1355","0.0805","","","0.1588","0.1881","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515144","11.784","0.0015","22.87","0.003","52.23","0.006","90","","95.811","0.006","90","","14004","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144.5 H165 Dy2 N10 O19.5 -","- C144.5 H165 Dy2 N10 O19.5 -","- C578 H660 Dy8 N40 O78 -","4","1","","Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee","Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets","Chemical Science","2012","3","6","2158","","10.1039/c2sc01029a","","","0.71073","MoKα","","0.0877","0.0763","","","0.1893","0.1963","","","","","","1.038","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515145","9.357","0.007","13.439","0.009","18.66","0.013","90","","90","","90","","2346","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O S -","- C28 H29 N O S -","- C112 H116 N4 O4 S4 -","4","1","","Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro","Hindered biaryls by C–H coupling: bisoxazoline-Pd catalysis leading to enantioselective C–H coupling","Chemical Science","2012","3","6","2165","","10.1039/c2sc20277h","","","0.7107","MoKα","","0.136","0.1054","","","0.2507","0.2823","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515146","25.838","0.0016","25.838","0.0016","25.838","0.0016","90","","90","","90","","17249.5","1.9","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C6 H3 N4 Ni0.1 O3.25 Zn -","- C6 H3 N4 Ni0.09 O3.25 Zn0.91 -","- C192 H96 N128 Ni2.88 O104 Zn29.12 -","32","0.166667","","Brozek, Carl K.; Dincă, Mircea","Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+","Chemical Science","2012","3","6","2110","","10.1039/c2sc20306e","","","0.71073","MoKα","","0.1063","0.0905","","","0.2759","0.3424","","","","","","1.571","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515147","8.712","0.002","12.244","0.003","16.51","0.003","90","","90","","90","","1761.1","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","Catalytic asymmetric α-amination of carboxylic acids using isothioureas","Chemical Science","2012","3","6","2088","","10.1039/c2sc20171b","","","0.71073","MoKα","","0.0456","0.0379","","","0.065","0.0682","","","","","","0.966","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515148","20.1837","0.0012","9.1091","0.0005","23.0754","0.0013","90","","110.794","0.007","90","","3966.2","0.4","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49.9 H48.6 Cl0.2 N O3.9 S -","- C49.9 H43 Cl0.2 N O3.9 S -","- C199.6 H172 Cl0.8 N4 O15.6 S4 -","4","1","","Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong","An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect","Chemical Science","2012","3","6","1804","","10.1039/c2sc01108e","","x-ray","1.5418","CuKα","","0.1464","0.0721","","","0.1321","0.1651","","","","","","1.007","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515149","17.3296","0.0006","3.8995","0.0001","13.8867","0.0005","90","","114.947","0.002","90","","850.86","0.05","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 O2 -","- C8 H4 Br2 O2 -","- C32 H16 Br8 O8 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0234","0.0205","","0.0244","0.0225","0.0225","","","","","","1.1356","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515150","13.2036","0.0004","7.7069","0.0002","14.7968","0.0005","90","","107.154","0.0015","90","","1438.72","0.08","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br2 O4 -","- C16 H8 Br2 O4 -","- C64 H32 Br8 O16 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0367","0.0272","","0.0393","0.031","0.031","","","","","","1.1093","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515151","13.3084","0.0003","6.8541","0.0002","29.076","0.0008","90","","93.477","0.0011","90","","2647.35","0.12","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br2 O8 -","- C32 H16 Br2 O8 -","- C128 H64 Br8 O32 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0973","0.0848","","0.1756","0.1725","0.1756","","","","","","1.0211","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515152","8.6955","0.0002","11.3755","0.0003","13.3637","0.0003","90","","103.355","0.0011","90","","1286.13","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 I2 O3 -","- C12 H6 I2 O3 -","- C48 H24 I8 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0222","0.0205","","0.0485","0.0477","0.0485","","","","","","1.0625","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515153","8.1262","0.0011","15.991","0.002","13.825","0.002","90","","101.243","0.005","90","","1762","0.4","200","","200","","","","","","","","local","4","C 1 c 1","C -2yc","9","","","","- C20 H10 Br2 O5 -","- C20 H10 Br2 O5 -","- C80 H40 Br8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.089","0.0576","","0.1237","0.1094","0.1237","","","","","","1.0073","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515154","7.3671","0.0014","12.397","0.002","13.127","0.003","92.975","0.011","93.428","0.009","95.781","0.012","1188.6","0.4","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C28 H14 Br2 O7 -","- C28 H14 Br2 O7 -","- C56 H28 Br4 O14 -","2","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.2389","0.1017","","0.249","0.1769","0.249","","","","","","0.9873","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515155","6.9255","0.0007","7.3969","0.0007","11.6514","0.0011","72.785","0.005","78.03","0.006","63.603","0.005","508.68","0.09","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","- C24 H12 Br2 O6 -","1","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.097","0.0652","","0.1586","0.1409","0.1586","","","","","","1.0534","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515156","5.9382","0.0003","22.9614","0.0017","6.718","0.0004","90","","91.539","0.005","90","","915.66","0.1","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.098","0.0566","","0.1468","0.1277","0.1468","","","","","","0.954","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515157","8.9805","0.0002","7.2435","0.0001","15.1904","0.0003","90","","97.9427","0.0012","90","","978.66","0.03","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 O2 -","- C8 H6 O2 -","- C48 H36 O12 -","6","1.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0467","0.0354","","0.0487","0.0446","0.0446","","","","","","1.0607","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515158","24.2219","0.0009","5.1953","0.0002","7.4212","0.0003","90","","90","","90","","933.88","0.06","150","","150","","","","","","","","local","3","P c a 21","P 2c -2ac","29","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0296","0.0271","","0.0335","0.0314","0.0314","","","","","","1.1227","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515159","15.185","0.0007","8.7609","0.0004","7.1418","0.0003","90","","116.501","0.002","90","","850.27","0.07","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 O3 -","- C12 H6 O3 -","- C48 H24 O12 -","4","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.0483","0.0395","","0.103","0.0987","0.103","","","","","","1.0426","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515160","8.8594","0.0003","8.8592","0.0002","46.7607","0.0014","90","","90","","90","","3670.12","0.19","200","","200","","","","","","","","Local laboratory","3","A b a 2","A 2 -2ab","41","","","","- C16 H8 O4 -","- C16 H8 O4 -","- C192 H96 O48 -","12","","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.081","0.048","","0.089","0.072","0.072","","","1.89","1.91","1.91","1.91","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515161","10.3551","0.0009","13.6824","0.0011","25.595","0.002","90","","90","","90","","3626.4","0.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 N10 O9 -","- C40 H34 N10 O9 -","- C160 H136 N40 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0815","0.0621","","","0.1338","0.1426","","","","","","1.056","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515162","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515163","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515164","10.4183","0.001","13.6836","0.0013","25.671","0.002","90","","90","","90","","3659.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33.25 Cl0.25 F N9 O8.75 -","- C40.89 H33.3 Cl0.26 F N9 O8.76 -","- C163.56 H133.2 Cl1.04 F4 N36 O35.04 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0921","0.0719","","","0.1385","0.1469","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515165","7.8466","0.0007","33.387","0.003","14.0698","0.0014","90","","94.602","0.002","90","","3674","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 N9 O9 -","- C41 H33 N9 O9 -","- C164 H132 N36 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0925","0.0613","","","0.1222","0.1333","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515166","10.611","0.001","12.959","0.0012","16.4525","0.0016","73.499","0.002","77.989","0.003","72.668","0.003","2051.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N10 O9 -","- C46 H36 N10 O9.149 -","- C92 H72 N20 O18.298 -","2","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0548","","","0.124","0.1335","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515167","6.9865","0.0004","19.2728","0.0011","14.239","0.0008","90","","103.327","0.002","90","","1865.64","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N4 O6 Rh2 -","- C32 H60 N4 O6 Rh2 -","- C64 H120 N8 O12 Rh4 -","2","0.5","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0619","0.0606","","","0.1633","0.1652","","","","","","1.071","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515168","16.372","0.0004","8.7441","0.0002","17.2355","0.0005","90","","104.039","0.001","90","","2393.71","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N6 O6 Rh2 -","- C20 H34 N6 O6 Rh2 -","- C80 H136 N24 O24 Rh8 -","4","1","","Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming","Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system","Chemical Science","2012","3","6","1785","","10.1039/c2sc00620k","","","1.54178","CuKα","","0.0317","0.03","","","0.0886","0.0904","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515169","18.9708","0.0007","25.2751","0.0007","26.5778","0.0007","90","","90","","90","","12743.8","0.7","180","2","180","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C108 H168 N12 -","- C108 H168 N12 -","- C432 H672 N48 -","4","0.5","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.1668","0.1426","","","0.3419","0.3583","","","","","","1.427","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515170","19.2362","0.0001","19.2362","0.0001","19.2362","0.0001","90","","90","","90","","7118","0.06","150","2","150","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C123 H195 Cl9 N12 -","- C123 H195 Cl12.96 N12 -","- C246 H390 Cl25.92 N24 -","2","0.0833333","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.0906","0.0767","","","0.1927","0.2022","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515171","8.5206","0.0013","13.968","0.002","18.439","0.003","90","","90","","90","","2194.5","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N4 O2 S2 -","- C24 H24 N4 O2 S2 -","- C96 H96 N16 O8 S8 -","4","1","","Boyer, Nicolas; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Gliocladins B and C.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","6","1798","1803","10.1039/C2SC20270K","","","0.71073","MoKα","","0.0356","0.032","","","0.077","0.0791","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515172","24.661","0.003","27.676","0.003","6.5393","0.0007","90","","90","","90","","4463.2","0.9","296.1","","296.1","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C49 H50 F O9 P -","- C49 H48 F O9 P -","- C196 H192 F4 O36 P4 -","4","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0592","","","","0.2291","","","","","","1.317","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515173","17.7436","0.0014","5.5873","0.0003","22.281","0.002","90","","105.469","0.003","90","","2128.9","0.3","123.1","","123.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H50 F O9 P -","- C49 H46 F O9 P -","- C98 H92 F2 O18 P2 -","2","1","","Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L.","Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity","Chemical Science","2012","3","6","1866","","10.1039/c2sc01077a","","","0.7107","MoKα","","","0.0575","","","","0.0621","","","","","","1.11","","","","has coordinates","189979","2020-10-21","18:00:00",""
"1515174","10.131","0.003","16.286","0.006","22.312","0.007","90","","90","","90","","3681","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Au N3 P -","- C18 H21 Au N3 P -","- C144 H168 Au8 N24 P8 -","8","2","","Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils","A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line","Chemical Science","2012","3","6","2062","","10.1039/c2sc01127a","","","0.71073","MoKα","","0.082","0.0563","","","0.1136","0.1231","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515175","9.249","0.0008","36.15","0.002","14.659","0.0014","90","","109.97","0.003","90","","4606.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 I2 N7 O -","- C44 H57 I2 N7 O -","- C176 H228 I8 N28 O4 -","4","1","","Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee","A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate","Chemical Science","2012","3","6","1819","","10.1039/c2sc20232h","","","0.71074","MoKα","","0.1257","0.0977","","","0.2019","0.2116","","","","","","1.646","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515176","28.351","0.0012","13.1576","0.0006","19.608","0.0007","90","","112.633","0.002","90","","6751.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.5 B Cl D F25 O -","- C35 B F25 O -","- C280 B8 F200 O8 -","8","1","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","1.54178","CuKα","","0.056","0.0438","","","0.1236","0.1309","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515177","11.003","0.002","19.158","0.004","20.004","0.004","76.77","0.03","85.03","0.03","73.96","0.03","3943.8","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C41.25 H10.5 B Cl0.25 F25 N2 -","- C165 H42 B4 Cl F100 N8 -","4","2","","Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood","Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex","Chemical Science","2012","3","6","1814","","10.1039/c2sc20336g","","","0.71073","MoKα","","0.0857","0.0651","","","0.1758","0.1963","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515178","7.7512","0.0003","8.1381","0.0003","8.4256","0.0003","69.558","0.003","79.669","0.003","74.031","0.003","476.75","0.03","291","2","291","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H22 O5 -","- C23 H22 O5 -","- C23 H22 O5 -","1","1","","Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels–Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity","Chemical Science","2012","3","6","1879","","10.1039/c2sc20096a","","","1.54184","CuKα","","0.0279","0.0278","","","0.0736","0.0737","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515179","11.846","0.003","6.8888","0.0016","12.417","0.003","90","","99.999","0.002","90","","997.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0464","0.0388","","","0.1243","0.1373","","","","","","0.984","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515180","9.013","0.016","9.018","0.015","28.9","0.05","87.731","0.019","87.947","0.019","89.841","0.019","2346","7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","4","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.2098","0.1342","","","0.3925","0.4396","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515181","7.089","0.002","15.631","0.005","13.579","0.004","90","","92.518","0.003","90","","1503.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S2 -","- C16 H18 O2 S2 -","- C64 H72 O8 S8 -","4","1","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.0463","0.0359","","","0.1187","0.1346","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515182","19.372","0.013","5.761","0.004","24.488","0.016","90","","90","","90","","2733","3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang","Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one","Chemical Science","2012","3","6","1975","","10.1039/c2sc20109g","","","0.71073","MoKα","","0.1562","0.0928","","","0.2324","0.2847","","","","","","0.968","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515183","11.177","0.002","11.228","0.002","13.582","0.003","69.214","0.01","82.733","0.011","82.327","0.01","1573.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B F16 O P -","- C30 H32 B F16 O P -","- C60 H64 B2 F32 O2 P2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1447","0.0569","","","0.0982","0.1213","","","","","","0.982","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515184","16.1479","0.0008","9.9549","0.0005","15.5394","0.0007","90","","109.713","0.002","90","","2351.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 B F16 O P -","- C21 H14 B F16 O P -","- C84 H56 B4 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0621","0.0428","","","0.1032","0.1133","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515185","9.1801","0.0013","10.333","0.0014","13.984","0.002","82.073","0.008","74.808","0.007","80.634","0.008","1256.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H14 B F16 N O -","- C25 H14 B F16 N O -","- C50 H28 B2 F32 N2 O2 -","2","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1189","0.0694","","","0.1718","0.1995","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515186","11.1705","0.0005","16.0049","0.0007","15.9286","0.0008","90","","95.113","0.002","90","","2836.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 B F16 N O -","- C27 H24 B F16 N O -","- C108 H96 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0724","0.0402","","","0.0827","0.0947","","","","","","0.998","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515187","11.938","0.0009","15.0103","0.0012","16.2877","0.0013","108.689","0.004","100.946","0.004","90.15","0.004","2708.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H17 B Cl F16 N O -","- C25.5 H17 B Cl F16 N O -","- C102 H68 B4 Cl4 F64 N4 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1814","0.0839","","","0.2375","0.2899","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515188","9.4047","0.0007","11.0955","0.0008","25.2965","0.0019","90","","95.391","0.004","90","","2628","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 B F16 N O -","- C26 H18 B F16 N O -","- C104 H72 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0831","0.0458","","","0.0947","0.1089","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515189","10.7955","0.0004","17.5647","0.0006","20.0048","0.0007","67.706","0.001","77.881","0.001","89.561","0.001","3420.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 B F16 N2 O -","- C29 H22 B F16 N2 O -","- C116 H88 B4 F64 N8 O4 -","4","2","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.1217","0.0856","","","0.2303","0.2489","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515190","17.2019","0.0006","14.7018","0.0006","16.5689","0.0006","90","","96.135","0.001","90","","4166.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43.99 H27.98 B Cl1.98 F16 O P -","- C43.989 H27.978 B Cl1.978 F16 O P -","- C175.956 H111.912 B4 Cl7.912 F64 O4 P4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0633","0.0429","","","0.1041","0.1155","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515191","11.1411","0.0007","17.8797","0.0011","14.7969","0.001","90","","98.591","0.004","90","","2914.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B F16 N O -","- C28 H28 B F16 N O -","- C112 H112 B4 F64 N4 O4 -","4","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane","Chemical Science","2012","3","6","2123","","10.1039/c2sc20262j","","","0.71073","MoKα","","0.0969","0.0461","","","0.0979","0.1177","","","","","","0.998","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515192","23.862","0.0019","23.862","0.0019","14.686","0.0019","90","0.002","90","0.002","120","0.002","7241.8","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 N12 O Zn -","- C8 H10 N12 O Zn -","- C144 H180 N216 O18 Zn18 -","18","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian","N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery","Chemical Science","2012","3","6","2114","","10.1039/c2sc00017b","","","0.71069","MoKα","","0.0509","0.0403","","","0.1377","0.1462","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515193","12.575","0.002","13.205","0.003","14.031","0.003","112.044","0.003","95.622","0.003","104.585","0.003","2041.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 N6 O2 S6 Zn2 -","- C32 H26 N6 O2 S6 Zn2 -","- C64 H52 N12 O4 S12 Zn4 -","2","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1127","0.0548","","","0.0878","0.0957","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515194","10.75","0.004","19.725","0.007","15.634","0.005","90","","91.283","0.006","90","","3314","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 B N6 O3 Zn -","- C31 H47 B N6 O3 Zn -","- C124 H188 B4 N24 O12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1079","0.049","","","0.0867","0.1067","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515195","22.3176","0.0017","10.4067","0.0008","17.2733","0.0014","90","","99.229","0.001","90","","3959.8","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N6 O3 S6 Zn2 -","- C39 H30 N6 O3 S6 Zn2 -","- C156 H120 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1231","0.0659","","","0.1536","0.1801","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515196","8.928","0.0007","14.6268","0.0012","18.4948","0.0015","90","","103.861","0.001","90","","2344.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N3 O3 S3 Zn -","- C23 H19 N3 O3 S3 Zn -","- C92 H76 N12 O12 S12 Zn4 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0778","0.0412","","","0.0799","0.0924","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515197","31.669","0.006","8.7545","0.0018","28.505","0.006","90","","108.802","0.003","90","","7481","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 N6 O3.5 S6 Zn2 -","- C35 H28 N6 O3.5 S6 Zn2 -","- C280 H224 N48 O28 S48 Zn16 -","8","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.0855","0.0451","","","0.1053","0.1219","","","","","","1.021","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515198","12.632","0.003","15.474","0.003","22.903","0.005","93.59","0.003","96.263","0.003","107.39","0.003","4225.2","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.75 H36 N6 O2 S6 Zn2 -","- C40.75 H36 N6 O2 S6 Zn2 -","- C163 H144 N24 O8 S24 Zn8 -","4","2","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1762","0.0631","","","0.1477","0.1867","","","","","","1.039","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515199","8.8656","0.0009","28.048","0.003","14.4431","0.0015","90","","102.816","0.002","90","","3502","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N6 O3 S6 Zn2 -","- C33 H24 N6 O3 S6 Zn2 -","- C132 H96 N24 O12 S24 Zn8 -","4","1","","Sattler, Wesley; Parkin, Gerard","Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase","Chemical Science","2012","3","6","2015","","10.1039/c2sc20167d","","","0.71073","MoKα","","0.1413","0.0559","","","0.0879","0.1129","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515200","22.76","0.03","7.558","0.009","31.61","0.05","90","","97.626","0.019","90","","5389","13","120","2","120","2","","","","","","","Cally Haynes","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 K2 N6 O18 -","- C48 H72 K2 N6 O18 -","- C192 H288 K8 N24 O72 -","4","1","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.6889","Synchrotron","","0.3426","0.1183","","","0.2544","0.4094","","","","","","0.981","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515201","19.3998","0.0017","20.67","0.002","16.7096","0.0011","90","","112.026","0.004","90","","6211.4","0.9","120","2","120","2","","","","","","","Cally Haynes","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H104 N8 O10 P2 -","- C56 H104 N8 O10 P2 -","- C224 H416 N32 O40 P8 -","4","0.5","","Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Tunable transmembrane chloride transport by bis-indolylureas","Chemical Science","2012","3","5","1436","","10.1039/c2sc20041d","","","0.71073","MoKα","","0.1719","0.076","","","0.1636","0.2048","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515202","19.234","0.005","14.717","0.003","16.801","0.004","90","","107.866","0.003","90","","4526.5","1.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","10017a","","","- C45 H45 Cl5 Fe N3 O4 P -","- C45 H45 Cl5 Fe N3 O4 P -","- C180 H180 Cl20 Fe4 N12 O16 P4 -","4","1","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.1109","0.0667","","","0.1669","0.1973","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515203","18.81","0.003","8.8413","0.0012","23.661","0.003","90","","109.478","0.002","90","","3709.7","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","08126","","","- C30 H26 Fe2 N6 O9 -","- C30 H26 Fe2 N6 O9 -","- C120 H104 Fe8 N24 O36 -","4","0.5","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.0484","0.0347","","","0.0799","0.0835","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515204","24.8834","0.0018","8.8381","0.0005","24.4677","0.0012","90","","120.136","0.003","90","","4653.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 Fe2 N6 O13 -","- C42 H58 Fe2 N6 O13 -","- C168 H232 Fe8 N24 O52 -","4","0.5","","McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1680","1693","10.1039/C2SC01044E","","","0.71073","MoKα","","0.0801","0.0537","","","0.1343","0.1529","","","","","","1.04","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515205","10.7223","0.0005","21.7779","0.0013","16.3387","0.0007","90","","105.321","0.004","90","","3679.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0429","0.034","","","0.0789","0.0836","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515206","10.7119","0.0004","21.742","0.0012","16.4105","0.0006","90","","105.404","0.004","90","","3684.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0407","0.0328","","","0.0771","0.0814","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515207","10.7245","0.0005","21.8948","0.0015","16.3488","0.0008","90","","105.251","0.005","90","","3703.7","0.4","190","2","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.6889","synchrotron","","0.0546","0.0417","","","0.1001","0.1092","","","","","","0.949","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515208","10.786","0.008","22.362","0.017","16.405","0.012","90","","104.945","0.009","90","","3823","5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0618","0.0465","","","0.1399","0.1521","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515209","10.7248","0.0005","22.0346","0.0011","16.3099","0.0008","90","","105.166","0.001","90","","3720.1","0.3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0606","0.0454","","","0.1312","0.1408","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515210","10.7075","0.0007","21.8698","0.0014","16.3273","0.001","90","","105.309","0.001","90","","3687.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0572","0.0455","","","0.1341","0.1422","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515211","10.6878","0.0007","21.7334","0.0014","16.3349","0.001","90","","105.419","0.001","90","","3657.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II)","","- C39 H37 Cl2 N2 O6 P Pd -","- C39 H37 Cl2 N2 O6 P Pd -","- C156 H148 Cl8 N8 O24 P4 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7749","synchrotron","","0.0563","0.0472","","","0.1207","0.1262","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515212","11.125","0.0017","15.392","0.002","15.758","0.002","74.695","0.003","77.903","0.003","70.463","0.003","2430.9","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H55 N5 O12 Pd2 -","- C50 H55 N5 O12 Pd2 -","- C100 H110 N10 O24 Pd4 -","2","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0507","0.0387","","","0.0932","0.0993","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515213","8.435","0.0006","10.2678","0.0005","13.5105","0.0007","77.953","0.004","76.502","0.005","72.666","0.005","1073.86","0.11","109.9","","109.9","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","- C42 H48 N8 O12 Pd -","1","0.5","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0399","0.0367","","","0.0919","0.0942","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515214","47.4181","0.0014","11.0136","0.0003","17.7382","0.0006","90","","107.608","0.003","90","","8829.7","0.5","110.15","","110.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Cl2 N O6 P Pd -","- C41 H40 Cl2 N O6 P Pd -","- C328 H320 Cl16 N8 O48 P8 Pd8 -","8","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.7107","MoKα","","0.0407","0.0373","","","0.1018","0.1038","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515215","10.5351","0.0007","9.7782","0.0006","15.3104","0.001","90","","90.555","0.001","90","","1577.12","0.18","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 N3 O4 Pd -","- C12 H25 N3 O4 Pd -","- C48 H100 N12 O16 Pd4 -","4","1","","Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S.","On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3","Chemical Science","2012","3","5","1656","","10.1039/c2sc01050j","","","0.71073","MoKα","","0.0371","0.028","","","0.0595","0.0626","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515216","10.337","0.002","15.431","0.003","19.611","0.004","82.82","0.03","84.35","0.03","82.95","0.03","3069.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","- C122 H124 Br2 Cl12 N8 O4 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.71073","MoKα","","0.1905","0.1146","","0.1725","0.1167","0.1167","","","","","","1.1051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515217","11.998","0.002","14.379","0.003","19.482","0.004","82.891","0.006","87.456","0.005","76.474","0.005","3242.3","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","- C150 H162 N12 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.085","0.0704","","0.1331","0.1272","0.1331","","","","","","0.9973","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515218","10.038","0.011","18.807","0.018","19.38","0.02","78.31","0.04","84.46","0.04","82.55","0.04","3543","6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","- C154.044 H162.374 N11.518 O2 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.1284","0.1106","","0.2667","0.2531","0.2667","","","","","","0.9073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515219","11.254","0.003","16.718","0.004","19.85","0.004","83.634","0.006","79.865","0.004","87.849","0.007","3653.1","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","- C184 H178 N10 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0937","0.0769","","0.168","0.1594","0.168","","","","","","0.9953","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515220","15.4354","0.0008","16.6155","0.0009","21.9618","0.0012","98.915","0.001","98.974","0.001","93.126","0.001","5478.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C236 H235 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","- C236 H253 Br2 Cl3 N16 O8 Zn4 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6943","synchrotron","","0.1354","0.0915","","0.1316","0.1069","0.1069","","","","","","1.0451","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515221","12.428","0.004","14.323","0.005","21.854","0.008","80.953","0.008","87.36","0.011","69.226","0.011","3592","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","- C172 H182 N16 Zn2 -","1","0.5","","Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L.","Engineering conjugation in para-phenylene-bridged porphyrin tapes","Chemical Science","2012","3","5","1541","","10.1039/c2sc00023g","","","0.6889","Synchrotron","","0.0953","0.0796","","0.204","0.188","0.204","","","","","","1.0002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515222","8.5307","0.0004","9.5523","0.0005","30.0128","0.0013","90","","90","","90","","2445.7","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O5 -","- C28 H28 N4 O5 -","- C112 H112 N16 O20 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C–H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0562","0.0402","","","0.1084","0.1404","","","","","","1.183","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515223","10.6627","0.0004","13.0584","0.0005","17.7049","0.0006","90","","90","","90","","2465.19","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O3.35 Pd -","- C26 H25 N3 O3.352 Pd -","- C104 H100 N12 O13.408 Pd4 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0263","0.0231","","","0.049","0.0504","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515224","9.957","0.002","21.918","0.005","15.524","0.003","90","","104.837","0.003","90","","3275","1.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H75 N3 O17 Rh2 -","- C68 H75 N3 O17 Rh2 -","- C136 H150 N6 O34 Rh4 -","2","1","","Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M.","Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","5","1589","1593","10.1039/C2SC01134D","","","0.71073","MoKα","","0.0933","0.0589","","","0.0987","0.1095","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515225","9.9798","0.0005","16.4442","0.001","24.1424","0.0014","90","","90","","90","","3962","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C134 Cl6 D2 F28 -","- C145.7 Cl5 F28 -","- C291.4 Cl10 F56 -","2","0.25","","Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H.","Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated","Chemical Science","2012","3","5","1399","","10.1039/c2sc01133f","","","0.41328","synchrotron","","0.1168","0.0895","","","0.2562","0.2951","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515226","8.45","0.0006","11.0814","0.0007","32.443","0.003","90","","90","","90","","3037.9","0.4","110","2","110","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 Fe N2 O4.41 P -","- C35 H33 Fe N2 O4.408 P -","- C140 H132 Fe4 N8 O17.632 P4 -","4","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0796","0.0549","","","0.1227","0.1319","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515227","7.0453","0.0003","24.2072","0.0008","9.1599","0.0004","90","","109.031","0.003","90","","1476.81","0.11","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Fe N2 O4 P -","- C34 H31 Fe N2 O4 P -","- C68 H62 Fe2 N4 O8 P2 -","2","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.057","0.0576","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515228","14.4225","0.0011","13.237","0.0012","9.0745","0.0008","90","","102.821","0.008","90","","1689.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl3 N5 Os -","- C14 H12 Cl3 N5 Os -","- C56 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.54184","CUKα","","0.0357","0.0316","","","0.0898","0.0915","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515229","10.314","0.005","15.45","0.006","8.562","0.005","90","","96.39","0.05","90","","1355.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl3 N5 Os -","- C8 H12 Cl3 N5 Os -","- C32 H48 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0216","0.0192","","","0.0418","0.0423","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515230","10.466","","14.595","","10.063","","90","","92.79","","90","","1535.31","","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl3 N5 Os -","- C10 H16 Cl3 N5 Os -","- C40 H64 Cl12 N20 Os4 -","4","0.5","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","1.5418","CuKα","","0.0181","0.0181","","","0.0459","0.0459","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515231","10.4137","0.0003","11.0728","0.0003","11.4646","0.0003","87.628","0.002","70.662","0.002","66.25","0.002","1135.25","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl3 N5 Os -","- C16 H16 Cl3 N5 Os -","- C32 H32 Cl6 N10 Os2 -","2","1","","Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu","Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents","Chemical Science","2012","3","5","1582","","10.1039/c2sc01031c","","","0.71073","MOKα","","0.0197","0.0174","","","0.0497","0.05","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515232","24.2","0.003","13.427","0.0016","16.2572","0.0019","90","","95.747","0.002","90","","5256","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H27 Cl F6 N2 Rh Sb -","- C23.5 H27 Cl F6 N2 Rh Sb -","- C188 H216 Cl8 F48 N16 Rh8 Sb8 -","8","2","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.0684","0.0636","","","0.1524","0.1565","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515233","18.507","0.007","10.873","0.004","17.673","0.007","90","","103.416","0.008","90","","3459","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 F6 N2 O2 Rh S Sb -","- C35 H36 F6 N2 O2 Rh S Sb -","- C140 H144 F24 N8 O8 Rh4 S4 Sb4 -","4","1","","Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie","Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds","Chemical Science","2012","3","5","1634","","10.1039/c2sc01081j","","","0.71073","MoKα","","0.1336","0.1045","","","0.1633","0.177","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515234","19.21","0.004","20.782","0.004","25.12","0.005","90","","90","","90","","10028","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H109 F30 N16 O10 P -","- C86 H109 F30 N16 O10 P -","- C344 H436 F120 N64 O40 P4 -","4","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.0701","0.0542","","","0.1036","0.1094","","","","","","1.482","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515235","13.939","0.002","14.194","0.005","14.511","0.003","93.624","0.003","118.198","0.002","96.509","0.003","2491.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 F15 N8 O4 -","- C43 H54 F15 N8 O4 -","- C86 H108 F30 N16 O8 -","2","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.1072","0.0633","","","0.1769","0.2107","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515236","7.9976","0.001","30.448","0.004","13.5205","0.0018","90","","96.2528","0.0005","90","","3272.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","dibenzoborole","dibenzoborole","","- C21 H19 B -","- C21 H19 B -","- C168 H152 B8 -","8","2","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0528","0.0484","","","0.1143","0.1182","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515237","22.546","0.004","22.546","0.004","7.1203","0.0013","90","","90","","90","","3619.4","1.1","123","2","123","2","","","","","","","","4","P 4/n :2","-P 4a","85","(indolo)(benzo)borole","(indolo)(benzo)borole","","- C24 H22 B N -","- C24 H22 B N -","- C192 H176 B8 N8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0614","0.0597","","","0.1343","0.1355","","","","","","1.152","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515238","25.956","0.008","8.077","0.003","16.85","0.005","90","","105.859","0.0011","90","","3398.1","1.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzofrano)(benzo)borole","(benzofrano)(benzo)borole","","- C23 H19 B O -","- C23 H19 B O -","- C184 H152 B8 O8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0745","0.0654","","","0.1669","0.1748","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515239","32.132","0.014","7.89","0.003","14.955","0.007","90","","106.728","0.007","90","","3631","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(benzothieno)(benzo)borole","(benzothieno)(benzo)borole","","- C23 H19 B S -","- C23 H19 B S -","- C184 H152 B8 S8 -","8","1","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0883","0.0748","","","0.1841","0.1943","","","","","","1.139","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515240","4.4289","0.0004","9.6455","0.0018","17.6718","0.0018","101.395","0.008","95.279","0.008","92.673","0.007","735.28","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H23 Cl N6 -","- C11 H23 Cl N6 -","- C22 H46 Cl2 N12 -","2","1","","Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi","Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains","Chemical Science","2012","3","11","3227","","10.1039/c2sc20871g","","","0.71073","MoKα","","0.1011","0.0772","","","0.1406","0.1493","","","","","","1.236","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515241","16.242","0.0013","18.9077","0.0016","19.5236","0.0016","90","","94.318","0.001","90","","5978.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 B F4 N3 O8 -","- C67 H74 B F4 N3 O8 -","- C268 H296 B4 F16 N12 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1417","0.0763","","","0.1953","0.2443","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515242","14.1231","0.0017","23.13","0.003","26.377","0.003","90","","100.575","0.002","90","","8470.2","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H114 N4 O10 -","- C92 H98 N4 O8 -","- C368 H392 N16 O32 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2292","0.169","","","0.3701","0.407","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515243","13.833","0.002","29.043","0.004","38.755","0.006","90","","97.751","0.002","90","","15428","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76.5 H96.5 B2 Cl1.5 F8 N4 O8 -","- C76 H96 B2 F8 N4 O8 -","- C608 H768 B16 F64 N32 O64 -","8","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2103","0.1356","","","0.3416","0.3923","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515244","21.517","0.003","39.753","0.005","11.1884","0.0015","90","","96.934","0.002","90","","9500","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H107.5 B2 Cl1.5 F8 N5 O12 -","- C89.49 H107.47 B2 Cl1.5 F8 N4.99 O11.98 -","- C357.96 H429.88 B8 Cl6 F32 N19.96 O47.92 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.2158","0.1563","","","0.2932","0.3319","","","","","","1.153","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515245","14.951","0.003","16.589","0.003","9.3553","0.0016","100.333","0.002","92.296","0.002","91.691","0.002","2279.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","- C89 H111 B2 F8 N9 O18 -","1","0.5","","Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J.","Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles","Chemical Science","2012","3","11","3265","","10.1039/c2sc20986a","","","0.71073","MoKα","","0.1228","0.0985","","","0.2636","0.2861","","","","","","0.998","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515246","5.4774","0.0013","10.39","0.002","25.084","0.006","90","","90","","90","","1427.5","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0408","0.0392","","","0.0961","0.0972","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515247","5.5219","0.0008","12.136","0.0017","23.04","0.003","90","","90","","90","","1544","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0334","0.0324","","","0.0833","0.0843","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515248","10.2817","0.0007","10.9413","0.0007","15.5048","0.0011","88.673","0.003","82.244","0.002","67.515","0.002","1596.1","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu F18 N O6 -","- C23 H23 Cu F18 N O6 -","- C46 H46 Cu2 F36 N2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0985","0.1067","","","","","","1.043","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515249","9.9155","0.0006","10.9991","0.0006","15.6366","0.0009","83.547","0.003","90.332","0.003","70.468","0.003","1595.32","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F18 N Ni O6 -","- C23 H23 F18 N Ni O6 -","- C46 H46 F36 N2 Ni2 O12 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0555","0.0442","","","0.0977","0.1028","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515250","10.3786","0.0013","10.8425","0.0014","15.1786","0.0019","86.056","0.002","80.156","0.002","67.947","0.002","1559.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 F18 N O6 Zn -","- C23 H23 F18 N O6 Zn -","- C46 H46 F36 N2 O12 Zn2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0549","0.039","","","0.0957","0.1042","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515251","11.5841","0.0003","12.0774","0.0004","12.1591","0.0003","63.859","0.001","71.425","0.001","64.501","0.001","1360.82","0.07","200","2","199.98","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H15 Cu F12 N O6 S -","- C21 H15 Cu F12 N O6 S -","- C42 H30 Cu2 F24 N2 O12 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","MoKα","","0.0462","0.0376","","","0.131","0.1406","","","","","","1.129","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515252","10.3431","0.0004","9.0814","0.0004","10.9394","0.0004","90","","102.94","0.002","90","","1001.44","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C46 H40 Cl2 N2 O4 S2 -","2","1","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0279","0.0268","","","0.0625","0.0631","","","","","","0.975","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515253","11.9219","0.0004","12.6553","0.0004","13.531","0.0004","90","","106.461","0.002","90","","1957.82","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","jn203b","","","- C23 H20 Cl N O2 S -","- C23 H20 Cl N O2 S -","- C92 H80 Cl4 N4 O8 S4 -","4","2","","Mack, Daniel J.; Njardarson, Jon T.","New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway","Chemical Science","2012","3","11","3321","","10.1039/c2sc21007j","","","0.71073","","","0.0426","0.0343","","","0.0778","0.0819","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515254","30.5539","0.0005","30.5539","","30.5539","","90","","90","","90","","28523.3","0.5","100","2","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C8 H10 Cd N4 -","- C7.5 H10 Cd N4 -","- C360 H480 Cd48 N192 -","48","0.5","","Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T.","Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange","Chemical Science","2012","3","11","3256","","10.1039/c2sc20558k","","","1.54184","CuKα","","0.0942","0.0673","","","0.2216","0.2352","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515255","7.3754","0.0002","11.0558","0.0003","9.6355","0.0003","90","","105.863","0.0017","90","","755.77","0.04","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N O2 -","- C8 H12 N O2 -","- C32 H48 N4 O8 -","4","1","","Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu","Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines","Chemical Science","2012","3","11","3249","","10.1039/c2sc20699d","","","1.54187","CuKα","","0.0577","0.0414","","","0.0964","0.1173","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515256","43.03","0.002","43.03","0.002","43.03","0.002","90","","90","","90","","79674","6","100","2","100","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","MMPF-4","","","- C156 H60 N12 O50 Zn19 -","- C156 H60 N12 O50 Zn19 -","- C1248 H480 N96 O400 Zn152 -","8","0.166667","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","0.41328","synchrotron","","0.1429","0.1163","","","0.2742","0.2905","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515257","22.521","0.015","22.521","0.015","22.521","0.015","90","","90","","90","","11423","13","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","MMPF-5","","","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","- C156 H60 Cd11 N12 O51 -","1","0.0208333","","Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian","Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin","Chemical Science","2012","3","9","2823","","10.1039/c2sc20330h","","","1.54178","CuKα","","0.1067","0.0816","","","0.2268","0.2483","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515258","32.152","0.003","32.152","0.003","31.611","0.003","90","","90","","120","","28300","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C169.5 H273 Mn7 N18 O37.5 -","- C169.5 H262.5 Mn7 N18 O37.5 -","- C1017 H1575 Mn42 N108 O225 -","6","0.333333","","Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten","Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet","Chemical Science","2012","3","9","2868","","10.1039/c2sc20649h","","","0.71073","MoKα","","0.0667","0.0551","","","0.1458","0.1669","","","","","","1.129","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515259","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C53.528 H67.584 N11 O12.8618 -","- C107.056 H135.168 N22 O25.7236 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515260","23.1428","0.0013","17.9913","0.001","27.126","0.002","90","","97.895","0.001","90","","11187.4","1.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C104 H118 N22 O20 -","- C104 H118 N22 O20 -","- C416 H472 N88 O80 -","4","0.5","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.1217","0.0783","","","0.2038","0.218","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515261","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C51.4132 H58.1198 N10.7066 O10 -","- C102.826 H116.24 N21.4132 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515262","10.9563","0.0008","13.8555","0.001","19.2","0.0015","70.922","0.001","84.699","0.001","78.582","0.001","2698.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.53 H67.58 N11 O12.86 -","- C46.5868 H50.8802 N8.2934 O10 -","- C93.1736 H101.76 N16.5868 O20 -","2","1","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.0624","0.0474","","","0.1204","0.1306","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515263","31.769","0.002","20.0818","0.0012","24.852","0.002","90","","129.585","0.003","90","","12219.2","1.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H110 Cl9 N7 S24 -","- C108 H106 Cl5 N7 S24 -","- C432 H424 Cl20 N28 S96 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2891","0.1086","","","0.2212","0.2479","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515264","28.3045","0.0009","24.6469","0.0008","17.5652","0.0006","90","","90","","90","","12253.8","0.7","93","2","93","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C110 H127 Cl3 N6 S20 -","- C109 H132 Cl N6 S20 -","- C436 H528 Cl4 N24 S80 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","1.5418","CuKα","","0.152","0.0874","","","0.2161","0.2662","","","","","","1.651","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515265","29.858","0.006","14.168","0.003","21.609","0.004","90","","90","","90","","9141","3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C79 H85 Cl8 N5 S16 -","- C79.5 H80 Cl8 N5 S16 -","- C318 H320 Cl32 N20 S64 -","4","0.5","","Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L.","Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6)","Chemical Science","2012","3","9","2685","","10.1039/c2sc20636f","","","0.71075","MoKα","","0.2526","0.1431","","","0.3074","0.3361","","","","","","1.673","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515266","11.8651","0.0004","11.5596","0.0003","15.509","0.0006","90","","112.201","0.004","90","","1969.45","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cd N2 -","- C18 H36 Cd N2 -","- C72 H144 Cd4 N8 -","4","1","","Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D.","Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium–cadmium transmetallation?","Chemical Science","2012","3","9","2700","","10.1039/c2sc20392h","","","0.71073","MoKα","","0.042","0.0284","","","0.0512","0.0555","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515267","20.8494","0.0019","10","0.0007","13.5537","0.001","90","","90","","90","","2825.9","0.4","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H28 N6 Si -","- C32 H28 N6 Si -","- C128 H112 N24 Si4 -","4","0.5","","Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong","What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission","Chemical Science","2012","3","9","2737","","10.1039/c2sc20382k","","x-ray","1.5418","CuKα","","0.0588","0.0413","","","0.1049","0.1148","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515268","11.3125","0.0002","12.0218","0.0002","13.7304","0.001","102.179","0.007","107.108","0.008","93.227","0.007","1730.44","0.17","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","4","","Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A.","Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis","Chemical Science","2012","3","1","121","","10.1039/c1sc00441g","","","1.54187","CuKα","","","0.0562","","","","0.1611","","","","","","1.088","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515269","9.3108","0.001","16.3917","0.0017","10.7713","0.0011","90","","103.594","0.002","90","","1597.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","IPrAuF*2CH2Cl2","","","- C29 H40 Au Cl4 F N2 -","- C29 H40 Au Cl4 F N2 -","- C58 H80 Au2 Cl8 F2 N4 -","2","0.5","","Mankad, Neal P.; Toste, F. Dean","C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","1","72","76","10.1039/C1SC00515D","","","0.71073","MoKα","","0.0309","0.0282","","","0.0674","0.0693","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515270","7.4734","0.0019","46.036","0.012","6.1199","0.0016","90","","90","","90","","2105.5","0.9","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O -","- C24 H25 Br N2 O -","- C96 H100 Br4 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li","Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles","Chemical Science","2012","3","1","205","","10.1039/c1sc00517k","","","0.71073","MoKα","","0.0819","0.075","","","0.1864","0.1938","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515271","30.1073","0.0006","18.082","0.0003","22.4608","0.0004","90","","106.257","0.001","90","","11738.8","0.4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.5 H36 B F24 N5 P -","- C67.5 H36 B F24 N5 P -","- C540 H288 B8 F192 N40 P8 -","8","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.122","0.0759","","","0.1433","0.1619","","","","","","1.001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515272","29.5322","0.0005","10.3705","0.0002","41.5808","0.0008","90","","99.1602","0.0008","90","","12572.3","0.4","93","2","93","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C596 H178 Cl26 F192 N40 O8 P8 -","8","2","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1505","0.0993","","","0.2551","0.2961","","","","","","0.988","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515273","19.4591","0.0005","8.6913","0.0002","37.1609","0.0011","90","","94.5998","0.0018","90","","6264.6","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H30 F24 N5 P S -","- C76 H30 F24 N5 P S -","- C304 H120 F96 N20 P4 S4 -","4","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1038","0.0675","","","0.1293","0.15","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515274","10.1849","0.0005","14.9773","0.0008","17.6759","0.001","85.568","0.003","88.271","0.003","76.766","0.003","2616.7","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.75 H11 Cl3 F24 N6 O1.5 P -","- C57.749 H11 Cl2.996 F24 N6 O1.502 P -","- C115.498 H22 Cl5.992 F48 N12 O3.004 P2 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1922","0.119","","","0.2902","0.3747","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515275","15.8942","0.0005","16.2322","0.0005","17.6688","0.0006","89.748","0.001","72.741","0.002","63.537","0.001","3853.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C14 H21 N9 O6 -","- C14 H21 N9 O6 -","- C112 H168 N72 O48 -","8","8","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0536","0.044","","","0.1069","0.1117","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515276","6.8516","0.0004","26.1435","0.0015","12.6653","0.0007","90","","102.975","0.003","90","","2210.7","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C48 H140 N12 O60 S4 -","2","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0524","0.0437","","","0.1022","0.106","","","","","","1.077","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515277","6.7453","0.0001","25.6806","0.0005","25.6822","0.0005","90","","90","","90","","4448.76","0.14","170","","170","","","","","","","","Synthesized by the authors. See text","5","C 2 2 21","C 2c 2","20","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C96 H280 N24 O120 S8 -","4","0.5","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.035","0.0335","","","0.1016","0.103","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515278","6.6138","0.0004","16.3922","0.001","23.9598","0.0014","101.113","0.003","92.328","0.003","95.176","0.003","2534","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1","P 1","1","","","","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","- C56 H118 N13 O47 S5 -","1","1","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.0893","0.0766","","","0.1888","0.1971","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515332","11.3513","0.0019","5.7944","0.001","11.73","0.002","90","","117.303","0.006","90","","685.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C32 H38 N2 O4 -","2","1","","Rossegger, Elisabeth; Oláh, László; Fischer, Roland; Kaschnitz, Petra; Varga, Olívia; Kállay, Mihály; Scheipl, Gregor; Stelzer, Franz; Wiesbrock, Frank","Synthesis of a poly(2-azanorbornene) with a high degree of cis-TT-stereoregularity and a regular secondary solution structure","Polymer Chemistry","2012","3","10","2760","","10.1039/c2py20219k","","","0.71073","MoKα","","0.0979","0.0503","","","0.0837","0.095","","","","","","0.969","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515333","9.713","0.0019","15.277","0.003","16.407","0.003","81.79","0.03","84.01","0.03","76.97","0.03","2341","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 Cl2 Co N3 -","- C51 H47 Cl2 Co N3 -","- C102 H94 Cl4 Co2 N6 -","2","1","","Lai, Jingjuan; Zhao, Weizhen; Yang, Wenhong; Redshaw, Carl; Liang, Tongling; Liu, Yongwen; Sun, Wen-Hua","2-[1-(2,4-Dibenzhydryl-6-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior","Polymer Chemistry","2012","3","3","787","","10.1039/c2py00590e","","","0.71073","MoKα","","","0.0698","","","0.1791","0.1934","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515334","14.0269","0.0003","14.0772","0.0003","9.7274","0.0002","90","","98.318","0.001","90","","1900.56","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 B N O -","- C25 H20 B N O -","- C100 H80 B4 N4 O4 -","4","1","","Cheng, Fei; Bonder, Edward M.; Doshi, Ami; Jäkle, Frieder","Organoboron star polymers via arm-first RAFT polymerization: synthesis, luminescent behavior, and aqueous self-assembly","Polymer Chemistry","2012","3","3","596","","10.1039/c2py00556e","","","1.54178","CuKα","","0.0401","0.0367","","","0.0989","0.1022","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515335","9.3233","0.0001","14.8844","0.0002","15.9251","0.0002","90","","90","","90","","2209.95","0.05","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong","Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection","Polymer Chemistry","2012","3","6","1481","","10.1039/c2py20057k","","","1.54178","CuKα","","0.0276","0.0253","","","0.0704","0.0716","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515336","20.918","0.014","5.5926","0.0018","19.778","0.009","90","","107.11","0.07","90","","2211","2","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","0.5","","Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong","Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection","Polymer Chemistry","2012","3","6","1481","","10.1039/c2py20057k","","","1.54178","CuKα","","0.1431","0.0613","","","0.0864","0.0995","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515337","11.8246","0.0002","13.8037","0.0003","14.9944","0.0003","114.804","0.001","105.639","0.001","98.943","0.001","2035.95","0.08","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H17 Cl0.5 N6 -","- C22.5 H17 Cl0.5 N6 -","- C90 H68 Cl2 N24 -","4","2","","Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko","Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines","Polymer Chemistry","2012","3","6","1427","","10.1039/c2py20079a","","","1.54187","CuKα","","0.0514","0.0455","","","0.1266","0.1332","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515338","12.1481","0.0003","12.1481","0.0003","10.9626","0.0004","90","","90","","90","","1617.82","0.08","193","","193","","","","","","","","","3","I 41","I 4bw","80","","","","- C20 H11 N5 -","- C20 H11 N5 -","- C80 H44 N20 -","4","0.5","","Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko","Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines","Polymer Chemistry","2012","3","6","1427","","10.1039/c2py20079a","","","1.54187","CuKα","","0.0473","0.0456","","","0.1193","0.1205","","","","","","1.082","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515339","22.338","0.003","4.7901","0.0007","17.757","0.003","90","","113.326","0.007","90","","1744.7","0.5","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 O S6 -","- C16 H12 O S6 -","- C64 H48 O4 S24 -","4","2","","Kaur, Sandeep; Findlay, Neil J.; Kanibolotsky, Alexander L.; Elmasly, Saadeldin E. T.; Skabara, Peter J.; Berridge, Rory; Wilson, Claire; Coles, Simon J.","Electrochromic properties of a poly(dithienylfuran) derivative featuring a redox-active dithiin unit","Polymer Chemistry","2012","3","8","2277","","10.1039/c2py20277h","","x-ray","0.71073","MoKα","","0.1752","0.1187","","","0.2303","0.2654","","","","","","1.044","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515340","8.56617","0.00018","34.5561","0.0006","7.35229","0.00014","90","","95.27","0.0018","90","","2167.18","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 O3 -","- C25 H24 N4 O3 -","- C100 H96 N16 O12 -","4","1","","Rayner, Georgina; Smith, Timothy; Barton, William; Newton, Mark; Deeth, Robert J.; Prokes, Ivan; Clarkson, Guy J.; Haddleton, David M.","A comparison of verdazyl radicals modified at the 3-position as mediators in the living radical polymerisation of styrene and n-butyl acrylate","Polymer Chemistry","2012","3","8","2254","","10.1039/c2py20217d","","","1.54184","CuKα","","0.0401","0.038","","","0.0982","0.0998","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515341","5.8594","0.0012","19.801","0.004","10.253","0.002","90","","97.18","0.03","90","","1180.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher","Palladium-containing polymers via a combination of RAFT and triazole chemistry","Polymer Chemistry","2012","3","9","2413","","10.1039/c2py20242e","","","0.71073","MoKα","","0.0945","0.0548","","","0.1114","0.1242","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515342","9.907","0.002","10.194","0.002","19.177","0.004","79.28","0.03","76.22","0.03","62.5","0.03","1661.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H15 Cl2 N4 O0.5 Pd S0.5 -","- C15 H15 Cl2 N4 O0.5 Pd S0.5 -","- C60 H60 Cl8 N16 O2 Pd4 S2 -","4","2","","Lang, Christiane; Kiefer, Claude; Lejeune, Elise; Goldmann, Anja S.; Breher, Frank; Roesky, Peter W.; Barner-Kowollik, Christopher","Palladium-containing polymers via a combination of RAFT and triazole chemistry","Polymer Chemistry","2012","3","9","2413","","10.1039/c2py20242e","","","0.71073","MoKα","","0.0805","0.0691","","","0.1856","0.195","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515408","5.48322","0.00009","41.7378","0.0007","7.65094","0.00013","90","","107.176","0.0009","90","","1672.89","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N S2 -","- C19 H23 N S2 -","- C76 H92 N4 S8 -","4","1","","Allard, Nicolas; Najari, Ahmed; Pouliot, Jean-Rémi; Pron, Agnieszka; Grenier, François; Leclerc, Mario","Easy and versatile synthesis of new poly(thieno[3,4-d]thiazole)s","Polymer Chemistry","2012","3","10","2875","","10.1039/c2py20422c","","","1.54178","CuKα","","0.0414","0.0396","","","0.0965","0.0973","","","","","","1.185","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515693","11.8469","0.0007","8.7118","0.0005","28.9529","0.0017","90","","90","","90","","2988.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N2 O12 Zn -","- C28 H36 N2 O12 Zn -","- C112 H144 N8 O48 Zn4 -","4","0.5","","Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota","Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.","Metallomics : integrated biometal science","2011","3","7","675","679","10.1039/c1mt00009h","","","0.71073","MoKα","","0.0483","0.0333","","","0.0889","0.1041","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515694","22.508","0.003","5.9232","0.0007","22.328","0.003","90","","101.252","0.005","90","","2919.5","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O Ru -","- C19 H15 N O Ru -","- C152 H120 N8 O8 Ru8 -","8","2","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1236","0.0833","","","0.1927","0.2236","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515695","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.166","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515696","30.9574","0.0011","16.257","0.0004","7.4078","0.0003","90","","101.757","0.002","90","","3649.9","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Br Fe N O -","- C19 H14 Br Fe N O -","- C152 H112 Br8 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.0891","0.0645","","","0.122","0.1326","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515697","6.0028","0.0002","21.513","0.0012","11.3488","0.0005","90","","93.01","0.003","90","","1463.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.0711","0.0505","","","0.1147","0.1257","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515698","10.9976","0.0007","11.9803","0.0007","12.8925","0.0008","82.679","0.001","79.518","0.001","73.741","0.001","1598.22","0.17","296","2","296","2","","","","","","","synthesized new Ru(II) complex","6","P -1","-P 1","2","FAB 302","Ru(II)-monoarene-thiosemicarbazide complex","","- C28 H31 Cl2 N3 Ru S -","- C28 H31 Cl2 N3 Ru S -","- C56 H62 Cl4 N6 Ru2 S2 -","2","1","","Beckford, Floyd; Thessing, Jeffrey; Woods, Jason; Didion, Jacob; Gerasimchuk, Nikolay; Gonzalez-Sarrias, Antonio; Seeram, Navindra P.","Synthesis and structure of [(η(6)-p-cymene)Ru(2-anthracen-9-ylmethylene-N-ethylhydrazinecarbothioamide)Cl]Cl; biological evaluation, topoisomerase II inhibition and reaction with DNA and human serum albumin.","Metallomics : integrated biometal science","2011","3","5","491","502","10.1039/c1mt00003a","","","0.71073","MoKα","","0.0299","0.0247","","","0.0638","0.0659","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515699","25.792","0.003","8.6974","0.0009","21.213","0.002","90","","111.142","0.002","90","","4438.3","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 N8 O4 P Ru S2 -","- C44 H52 N8 O4 P Ru S2 -","- C176 H208 N32 O16 P4 Ru4 S8 -","4","1","","Prabhakaran, R.; Kalaivani, P.; Jayakumar, R.; Zeller, M.; Hunter, A. D.; Renukadevi, S. V.; Ramachandran, E.; Natarajan, K.","Synthesis, structure and biological evaluation of bis salicylaldehyde-4(N)-ethylthiosemicarbazone ruthenium(iii) triphenylphosphine.","Metallomics : integrated biometal science","2011","3","1","42","48","10.1039/c0mt00062k","","","0.71073","MoKα","","0.1212","0.0908","","","0.176","0.1875","","","","","","1.203","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515700","7.082","0.0002","15.9788","0.0003","13.7653","0.0003","90","","90.326","0.002","90","","1557.68","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Br N3 O -","- C16 H16 Br N3 O -","- C64 H64 Br4 N12 O4 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","0.71073","MoKα","","0.0317","0.0271","","","0.0664","0.0688","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515701","9.9811","0.0003","10.0794","0.0004","11.7361","0.0003","67.423","0.003","82.718","0.003","76.645","0.003","1059.77","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br N2 O -","- C23 H25 Br N2 O -","- C46 H50 Br2 N4 O2 -","2","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0366","0.0349","","","0.1016","0.1032","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515702","7.269","0.00004","12.62118","0.00006","23.4502","0.0001","90","","97.0346","0.0005","90","","2135.21","0.018","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br N4 -","- C25 H21 Br N4 -","- C100 H84 Br4 N16 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0235","0.022","","","0.0593","0.0601","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515703","4.40268","0.00004","16.737","0.0002","21.1545","0.0002","90","","91.612","0.001","90","","1558.21","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag Cl2 N3 O2 -","- C14 H12 Ag Cl2 N3 O2 -","- C56 H48 Ag4 Cl8 N12 O8 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0393","0.0384","","","0.0893","0.0897","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515704","15.3823","0.0001","7.83949","0.00007","19.8044","0.0002","90","","96.7996","0.0007","90","","2371.4","0.04","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H23 Ag N4 O2 -","- C27 H23 Ag N4 O2 -","- C108 H92 Ag4 N16 O8 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0406","0.0377","","","0.1022","0.1048","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515705","23.9368","0.0007","9.5997","0.0002","25.2845","0.0007","90","","119.297","0.004","90","","5066.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Ag2 N4 O4 -","- C62 H54 Ag2 N4 O4 -","- C248 H216 Ag8 N16 O16 -","4","0.5","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0273","0.0233","","","0.0551","0.0564","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515706","11.7885","0.0003","47.3901","0.0008","7.8129","0.0002","90","","99.281","0.002","90","","4307.6","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Ag N2 O2 -","- C25 H25 Ag N2 O2 -","- C200 H200 Ag8 N16 O16 -","8","2","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0533","0.0518","","","0.101","0.1015","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515707","3.7976","0.0001","8.3908","0.0003","9.0986","0.0003","72.193","0.002","78.465","0.002","89.756","0.002","269.958","0.015","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H8 N2 -","- C16 H8 N2 -","- C16 H8 N2 -","1","0.5","","Xiao, Jinchong; Yin, Zongyou; Yang, Bo; Liu, Yi; Ji, Li; Guo, Jun; Huang, Ling; Liu, Xuewei; Yan, Qingyu; Zhang, Hua; Zhang, Qichun","Preparation, characterization, physical properties, and photoconducting behaviour of anthracene derivative nanowires.","Nanoscale","2011","3","11","4720","4723","10.1039/c1nr10655d","","","0.71073","MoKα","","0.0969","0.0534","","","0.1449","0.1814","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515888","14.4512","0.0007","9.4625","0.0006","11.7824","0.0007","90","","90","","90","","1611.18","0.16","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H32 B2 N4 Ni -","- C10 H32 B2 N4 Ni -","- C40 H128 B8 N16 Ni4 -","4","0.5","","Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech","Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research","Energy & Environmental Science","2010","3","12","1973","","10.1039/c0ee00051e","","","0.71073","MoKα","","0.0943","0.0363","","","0.0873","0.0951","","","","","","0.818","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515889","7.1397","0.0005","12.8109","0.0007","8.7041","0.0005","90","","109.948","0.006","90","","748.36","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 B2 N4 Ni -","- C10 H32 B2 N4 Ni -","- C20 H64 B4 N8 Ni2 -","2","0.5","","Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech","Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research","Energy & Environmental Science","2010","3","12","1973","","10.1039/c0ee00051e","","","0.71073","MoKα","","0.0251","0.019","","","0.0501","0.0511","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515890","22.847","0.015","22.847","0.015","12.458","0.016","90","","90","","90","","6503","10","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C17 H20 Co N5 O1.5 -","- C12 H8 Co N4 -","- C192 H128 Co16 N64 -","16","0.5","","Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R.","Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate","Energy & Environmental Science","2010","3","1","117","","10.1039/b917512a","","","0.7749","synchrotron","","0.0794","0.0635","","","0.1642","0.1748","","","","","","1.339","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1520322","11.6025","0.0007","15.9736","0.0009","15.9849","0.001","104.371","0.005","91.222","0.005","100.534","0.005","2814.5","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H72 Cu6 Ge N24 O64 W12 -","- C76 H72 Cu6 Ge N24 O64 W12 -","- C76 H72 Cu6 Ge N24 O64 W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","1.54184","CuKα","","0.112","0.0789","","","0.1979","0.2308","","","","","","1.039","","","","has coordinates","138316","2020-10-21","18:00:00",""
"1520323","11.9426","0.0002","12.8151","0.0003","30.0533","0.0006","101.508","0.002","90.346","0.002","105.544","0.002","4333.58","0.16","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C46 H62 Cu3.5 N19 O59 Si W12 -","- C46 H52 Cu3.5 N19 O59 Si W12 -","- C92 H104 Cu7 N38 O118 Si2 W24 -","2","1","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","0.71073","MoKα","","0.0933","0.086","","","0.1732","0.1763","","","","","","1.273","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520324","11.711","0.0003","15.9628","0.0006","17.0341","0.0005","107.057","0.003","94.372","0.002","100.971","0.002","2958.92","0.17","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H88 Cu6 Ge N24 O72 W12 -","- C76 H72 Cu6 Ge N24 O72 W12 -","- C76 H72 Cu6 Ge N24 O72 W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","0.71073","MoKα","","0.0456","0.0436","","","0.0926","0.0933","","","","","","1.28","","","","has coordinates","138318","2020-10-21","18:00:00",""
"1520325","11.6039","0.0003","15.9379","0.0005","15.9984","0.0005","104.292","0.002","91.168","0.002","100.599","0.002","2811.55","0.15","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H72 Cu6 N24 O64 Si W12 -","- C76 H72 Cu6 N24 O64 Si W12 -","- C76 H72 Cu6 N24 O64 Si W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","0.71073","MoKα","","0.0523","0.0461","","","0.083","0.0848","","","","","","1.363","","","","has coordinates","138319","2020-10-21","18:00:00",""
"1520326","11.7014","0.0004","15.9523","0.0005","17.0285","0.0005","107.102","0.003","94.393","0.003","101.008","0.003","2952.16","0.18","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C76 H88 Cu6 N24 O72 Si W12 -","- C76 H72 Cu6 N24 O72 Si W12 -","- C76 H72 Cu6 N24 O72 Si W12 -","1","0.5","","Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan","Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium","Inorganics","2015","3","2","194","","10.3390/inorganics3020194","","x-ray","1.54184","CuKα","","0.0531","0.0503","","","0.1154","0.1168","","","","","","1.278","","","","has coordinates","138321","2020-10-21","18:00:00",""
"1520327","11.03023","0.00016","16.9232","0.0002","32.4507","0.0005","90","","98.8238","0.0013","90","","5985.78","0.15","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H84 Br Mo6 N3 O18 S -","- C29 H48 Br Mo6 N2 O18 S -","- C116 H192 Br4 Mo24 N8 O72 S4 -","4","1","","Healey, Merinda; Best, Stephen; Goerigk, Lars; Ritchie, Chris","A Heteroaromatically Functionalized Hexamolybdate","Inorganics","2015","3","2","82","","10.3390/inorganics3020082","","x-ray","1.54184","CuKα","","0.0898","0.079","","","0.2332","0.2471","","","","","","1.131","","","","has coordinates,has disorder","138322","2020-10-21","18:00:00",""
"1520328","12.5989","0.0005","11.5694","0.0005","15.267","0.0006","90","","101.954","0.004","90","","2177.09","0.16","130.1","0.1","293.18","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br N S -","- C26 H22 Br N S -","- C104 H88 Br4 N4 S4 -","4","1","","Healey, Merinda; Best, Stephen; Goerigk, Lars; Ritchie, Chris","A Heteroaromatically Functionalized Hexamolybdate","Inorganics","2015","3","2","82","","10.3390/inorganics3020082","","x-ray","0.71073","MoKα","","0.0769","0.0497","","","0.1394","0.1727","","","","","","1.151","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1520763","9.024","0.0003","19.4282","0.0006","21.1568","0.0007","103.992","0.002","95.5616","0.0016","103.407","0.0014","3454.8","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Mo6 N4 Na4 O48 P4 -","- C20 H30 Mo6 N4 Na2.5 O48 P4 -","- C40 H60 Mo12 N8 Na5 O96 P8 -","2","1","","Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne","Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties","Inorganics","2015","3","2","279","","10.3390/inorganics3020279","","","0.71073","MoKα","","0.0809","0.071","","","0.196","0.2096","","","","","","1.023","","","","has coordinates","140297","2020-10-21","18:00:00",""
"1520764","17.9501","0.0005","19.4745","0.0004","19.8487","0.0005","76.188","0.001","69.59","0.001","76.669","0.001","6231.6","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 K3.5 Mo6 N4 Na0.5 O45.5 P4 -","- C20 H30 K2 Mo6 N4 Na0.375 O45 P4 -","- C80 H120 K8 Mo24 N16 Na1.5 O180 P16 -","4","2","","Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne","Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties","Inorganics","2015","3","2","279","","10.3390/inorganics3020279","","","0.71073","MoKα","","0.076","0.0568","","","0.1649","0.179","","","","","","1.07","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520765","17.6023","0.0019","22.134","0.002","28.323","0.003","97.443","0.005","95.464","0.005","107.43","0.005","10334.2","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H102.5 Mo8 N14 O53.25 P4 -","- C32 H36 Mo8 N6 O61.25 P4 -","- C128 H144 Mo32 N24 O245 P16 -","4","2","","Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne","Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties","Inorganics","2015","3","2","279","","10.3390/inorganics3020279","","","0.71073","MoKα","","0.1215","0.1051","","","0.2719","0.282","","","","","","1.035","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520766","21.7759","0.0005","32.0368","0.0007","33.0799","0.0008","94.172","0.001","107.537","0.001","90.561","0.001","21934.4","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C2 H499 As8 Cs8.5 Na34.5 O538 W81 Y8 -","- C2 As8 Cs7.75 Na11.7 O367.25 W81.1667 Y8 -","- C4 As16 Cs15.5 Na23.4 O734.5 W162.333 Y16 -","2","1","","Ibrahim, Masooma; Bassil, Bassem; Kortz, Ulrich","Synthesis and Characterization of 8-Yttrium(III)-Containing 81-Tungsto-8-Arsenate(III), [Y8(CH3COO)(H2O)18(As2W19O68)4(W2O6)2(WO4)]43−","Inorganics","2015","3","2","267","","10.3390/inorganics3020267","","","0.71073","MoKα","","0.0914","0.0643","","","0.1478","0.1719","","","","","","1.005","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520774","4.3954","","4.3954","","41.606","","90","","90","","120","","696.119","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sn Bi2 Te4","","- Bi2 Sn Te4 -","- Bi2 Sn Te4 -","- Bi6 Sn3 Te12 -","3","0.0833333","","Adouby, K.; Abba Toure, A.; Kra, G.; Olivier-Fourcade, J.; Vicente, C.P.; Jumas, J.C.","Phase diagram and local environment of Sn and Te: Sn Te - Bi and Sn Te - Bi2 Te3 systems","C.R. Acad. Sci. Paris, T. 1, Serie II","2000","3","","51","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520964","9.12","","8.141","","15.234","","90","","90","","90","","1131.06","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rb Sr (P3 O9) (H2 O)3","","- H6 O12 P3 Rb Sr -","- H6 O12 P3 Rb Sr -","- H24 O48 P12 Rb4 Sr4 -","4","0.5","","El Kababi, K.; Sbai, K.; Vilminot, S.","Synthesis, thermal behaviour and crystal structure of Rb Sr P3 O9 . 3(H2 O)","C.R. Acad. Sci. Paris, T. 1, Serie II","2000","3","","693","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:07",""
"1521755","3.62","","3.62","","7.41","","90","","90","","90","","97.104","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Nb Ni3 -","- Nb Ni3 -","- Nb2 Ni6 -","2","0.0625","","Kaufman, A.; Hoffman, N. J.; Lipson, H.","Intensity anomalies in the X-ray diffraction pattern of Ni~3~Nb and their relationship to those for martensite","Scripta Metallurgica","1969","3","10","715","720","10.1016/0036-9748(69)90220-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522012","3.9638","","3.9638","","3.9638","","90","","90","","90","","62.278","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Nb0.35 Pt0.65)","","- Nb0.35 Pt0.65 -","- Nb0.35 Pt0.65 -","- Nb1.4 Pt2.6 -","4","0.0208333","","Kimura, H.; Ho, A.","The platinum-niobium system","Transactions of the National Research Institute for Metals","1961","3","","27","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","142231","2020-10-21","18:00:00",""
"1522088","3.976","","3.976","","3.976","","90","","90","","90","","62.855","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Ba0.829 Sr0.171) (Ti0.89 Ce0.11) O3","","- Ba0.829 Ce0.11 O3 Sr0.171 Ti0.89 -","- Ba0.829 Ce0.11 O3 Sr0.171 Ti0.89 -","- Ba0.829 Ce0.11 O3 Sr0.171 Ti0.89 -","1","0.0208333","","Varatharajan, R.; Santhanaraghavan, P.; Right, L.; Bocelli, G.; Jayavel, R.; Ramasamy, P.","Ba Sr Ti Ce O3 : growth and crystal structure","Crystal Engineering","2000","3","","195","2000","","","","","","","","","","","","","","","","","","","","","","has coordinates","142307","2020-10-21","18:00:00",""
"1522090","3.985","","3.985","","3.985","","90","","90","","90","","63.283","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Ba0.592 Sr0.408) Ti O3","","- Ba0.592 O3 Sr0.408 Ti -","- Ba0.592 O3 Sr0.408 Ti -","- Ba0.592 O3 Sr0.408 Ti -","1","0.0208333","","Varatharajan, R.; Santhanaraghavan, P.; Jayavel, R.; Bocelli, G.; Right, L.; Ramasamy, P.","Ba Sr Ti Ce O3 : growth and crystal structure","Crystal Engineering","2000","3","","195","2000","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522092","3.99","","3.99","","3.99","","90","","90","","90","","63.521","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Ba0.994 Sr0.006) (Ti0.937 Ce0.063) O3","","- Ba0.994 Ce0.063 O3 Sr0.006 Ti0.937 -","- Ba0.994 Ce0.063 O3 Sr0.006 Ti0.937 -","- Ba0.994 Ce0.063 O3 Sr0.006 Ti0.937 -","1","0.0208333","","Varatharajan, R.; Santhanaraghavan, P.; Jayavel, R.; Bocelli, G.; Right, L.; Ramasamy, P.","Ba Sr Ti Ce O3 : growth and crystal structure","Crystal Engineering","2000","3","","195","2000","","","","","","","","","","","","","","","","","","","","","","has coordinates","142311","2020-10-21","18:00:00",""
"1522296","6.216","","6.216","","4.872","","90","","90","","90","","188.248","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ni Ta2 -","- Ni Ta2 -","- Ni4 Ta8 -","4","0.125","","Kripyakevich, P.I.; Pylaeva, E.N.","Crystal structure of the compound Ta2 Ni","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1962","3","","35","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522371","3.484","","3.484","","3.484","","90","","90","","90","","42.29","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Li Mg)","","- Li Mg -","- Li Mg -","- Li Mg -","1","0.0104167","","Levinson, D.W.","On the lattice parameter of Mg-Li beta alloys","Acta Metallurgica","1955","3","","294","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522441","3.565","","3.565","","3.565","","90","","90","","90","","45.308","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Np Pu)","","- Np Pu -","- Np Pu -","- Np Pu -","1","0.0104167","","Mardon, P.G.; Pearce, J.H.; Marples, J.A.C.","Constitution studies on the neptunium-plutonium alloy system","Journal of the Less-Common Metals","1961","3","","281","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522733","5.11","","4.25","","4.54","","90","","90","","90","","98.597","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","","","- Nb Ni3 -","- Nb Ni3 -","- Nb2 Ni6 -","2","0.25","","Pylaeva, E.N.; Kripyakevich, P.I.; Gladyshevskii, E.I.","Crystalline structure of Ni3 Nb and Ni3 Ta compounds","Zhurnal Neorganicheskoi Khimii","1958","3","","1626","1631","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522734","5.1","","4.24","","4.52","","90","","90","","90","","97.74","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","","","- Ni3 Ta -","- Ni3 Ta -","- Ni6 Ta2 -","2","0.25","","Pylaeva, E.N.; Gladyshevskii, E.I.; Kripyakevich, P.I.","Crystal structure of Ni3 Nb and Ni3 Ta compounds","Zhurnal Neorganicheskoi Khimii","1958","3","","1626","1631","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522778","2.976","","2.976","","2.976","","90","","90","","90","","26.357","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Fe Ti -","- Fe Ti -","- Fe Ti -","1","0.0208333","","Ray, R.; Giessen, B.C.; Grant, N.J.","The constitution of metastable titanium-rich Ti-Fe alloys: An order-disorder transition","Metallurgical Transactions","1972","3","","627","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522821","8.552","","8.552","","8.552","","90","","90","","90","","625.465","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Mg2 Zn11 -","- Mg2 Zn11 -","- Mg6 Zn33 -","3","0.125","","Samson, S.","Die Kristallstruktur des Mg2 Zn11. Isomorphie zwischen Mg2 Zn11 und Mg2 Cu6 Al5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1949","3","","835","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522828","3.05","","3.05","","3.05","","90","","90","","90","","28.373","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Ga0.1 V0.9)","","- Ga0.1 V0.9 -","- Ga0.1 V0.9 -","- Ga0.2 V1.8 -","2","0.0208333","","Savitskii, E.M.; Baron, V.V.; Kripyakevich, P.I.; Efimov, Yu.V.","Phase diagram of the vanadium-gallium system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1967","3","","45","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","143111","2020-10-21","18:00:00",""
"1522941","4.26","","4.26","","5.68","","90","","90","","120","","89.268","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Mn0.2 Sb0.8)","","- Mn0.2 Sb0.8 -","- Mn0.2 Sb0.8 -","- Mn0.6 Sb2.4 -","3","0.0833333","","Speight, J.D.","Metastable phases in liquid-quenched alloys of chromium and manganese with antimony","Metallurgical Transactions","1972","3","","1011","1012","","","","","","","","","","","","","","","","","","","","","","has coordinates","143237","2020-10-21","18:00:00",""
"1522991","3.1572","","3.1572","","3.1572","","90","","90","","90","","31.471","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Os0.1 W0.9)","","- Os0.1 W0.9 -","- Os0.1 W0.9 -","- Os0.2 W1.8 -","2","0.0208333","","Taylor, A.; Kagle, B.J.; Doyle, N.J.","The constitution diagram of the tungsten-osmium binary system","Journal of the Less-Common Metals","1961","3","","333","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","143296","2020-10-21","18:00:00",""
"1522992","3.37","","3.37","","3.37","","90","","90","","90","","38.273","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Hf0.6 Mo0.4)","","- Hf0.6 Mo0.4 -","- Hf0.6 Mo0.4 -","- Hf1.2 Mo0.8 -","2","0.0208333","","Taylor, A.; Doyle, N.J.; Kagle, B.J.","The constitution diagram of the Mo-Hf binary system","Journal of the Less-Common Metals","1961","3","","265","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","143297","2020-10-21","18:00:00",""
"1523058","3.225","","3.225","","5.19","","90","","90","","120","","46.747","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Gd0.1 Zr0.9)","","- Gd0.1 Zr0.9 -","- Gd0.1 Zr0.9 -","- Gd0.2 Zr1.8 -","2","0.0833333","","Wang, R.","Formation of metastable low-temperature allotropic solid solutions in rare-earth-zirconium systems","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","143443","2020-10-21","18:00:00",""
"1523059","3.38","","3.38","","5.34","","90","","90","","120","","52.833","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ho Zr)","","- Ho Zr -","- Ho Zr -","- Ho Zr -","1","0.0416667","","Wang, R.","Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium systems","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523080","6.929","","6.929","","6.929","","90","","90","","90","","332.669","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Mg3 Ru2 -","- Mg3 Ru2 -","- Mg12 Ru8 -","4","0.166667","","Westin, L.; Edshammar, L.E.","Intermetallic compounds in the ruthenium-magnesium system","Chemica Scripta","1973","3","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523081","20.19","","20.19","","20.19","","90","","90","","90","","8230.17","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Mg43.83 Ru7.17 -","- Mg43.834 Ru7.166 -","- Mg350.672 Ru57.328 -","8","0.0833333","","Westin, L.; Edshammar, L.E.","Intermetallic compounds in the ruthenium-magnesium system","Chemica Scripta","1973","3","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523258","4.426","","4.426","","5.535","","90","","90","","120","","93.901","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni Tl -","- Ni Tl -","- Ni2 Tl2 -","2","0.0833333","","Bitti, R. R.; Cascioli, V.","A new NiAs type phase obtained by simultaneous evaporation of Ni and Tl","Scripta Metallurgica","1969","3","10","731","733","10.1016/0036-9748(69)90223-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523330","7.105","","7.105","","7.105","","90","","90","","90","","358.668","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Tm -","- Ni2 Tm -","- Ni16 Tm8 -","8","0.0416667","","Burzo, E.; Laforest, J.","Crystallographic, magnetic, and E.P.R. studies of rare-earth and yttrium-nickel Laves phases","International Journal of Magnetism","1972","3","","171","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523399","7.017","","7.017","","7.017","","90","","90","","90","","345.505","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Mn Ni) Zr","","- Mn Ni Zr -","- Mn Ni Zr -","- Mn8 Ni8 Zr8 -","8","0.0416667","","Cherkashin, E.E.; Gladyshevskii, E.I.; Kripyakevich, P.I.; Kuz'ma, Yu.B.","X-ray structural analysis of certain systems of transition metals","Zhurnal Neorganicheskoi Khimii","1958","3","","650","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523596","2.7339","","2.7339","","4.455","","90","","90","","120","","28.837","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mn0.52 Zn0.48)","","- Mn0.52 Zn0.48 -","- Mn0.52 Zn0.48 -","- Mn1.04 Zn0.96 -","2","0.0833333","","Farrar, R.A.; King, H.W.","Axial ratios and solubility limits of hcp eta and epsilon phases in the systems Cd-Mn and Zn-Mn","Metallography","1970","3","","61","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","144216","2020-10-21","18:00:00",""
"1524241","7.74002","","7.74002","","7.70009","","90","","90","","90","","461.296","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Mn2 Y","","- Mn Y -","- Mn Y -","- Mn8 Y8 -","8","0.25","","Cywinski, R.; Kilcoyne, S.H.; Scott, C.A.","Magnetic order and moment stability in Y Mn2","Journal of Physics: Condensed Matter","1991","3","","6473","6488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524334","13.36","","10.46","","6.741","","90","","90","","90","","942.025","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Rh (N H3)5 Cl) Cl2","","- Cl3 H15 N5 Rh -","- Cl3 H15 N5 Rh -","- Cl12 H60 N20 Rh4 -","4","0.5","","Evans, R.S.; Hopcus, E.A.; Bordner, J.; Schreiner, A.F.","Molecular and crystal structures of halopentaamminerhodium(III)complexes, (Rh (N H3)5 Cl) Cl2 and (Rh (N H3)5 Br) Br2","Journal of Crystal and Molecular Structure","1973","3","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524335","13.8","","10.83","","6.974","","90","","90","","90","","1042.29","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Rh (N H3)5 Br) Br2","","- Br3 H15 N5 Rh -","- Br3 H15 N5 Rh -","- Br12 H60 N20 Rh4 -","4","0.5","","Evans, R.S.; Hopcus, E.A.; Bordner, J.; Schreiner, A.F.","Molecular and crystal structures of halopentaamminerhodium(III)complexes, (Rh (N H3)5 Cl) Cl2 and (Rh (N H3)5 Br) Br2","Journal of Crystal and Molecular Structure","1973","3","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524341","2.9803","","2.9803","","5.6204","","90","","90","","120","","43.233","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Cd0.995 Mn0.005)","","- Cd0.995 Mn0.005 -","- Cd0.995 Mn0.005 -","- Cd1.99 Mn0.01 -","2","0.0833333","","Farrar, R.A.; King, H.W.","Axial ratios and solubility limits of H.C.P. eta and epsilon phases in th systems Cd-Mn and Zn-Mn","Metallography","1970","3","","61","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","145082","2020-10-21","18:00:00",""
"1524432","3.181","","3.181","","3.181","","90","","90","","90","","32.188","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Cr0.2 Mo0.4 Nb0.4)","","- Cr0.2 Mo0.4 Nb0.4 -","- Cr0.2 Mo0.4 Nb0.4 -","- Cr0.4 Mo0.8 Nb0.8 -","2","0.0208333","","Goldschmidt, H.J.; Brand, J.A.","The constitution of the Cr - Nb - Mo system","Journal of the Less-Common Metals","1961","3","","44","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","145197","2020-10-21","18:00:00",""
"1524478","3.434","","3.434","","13.9","","90","","90","","120","","141.953","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Na Ti S2","","- Na S2 Ti -","- Na S2 Ti -","- Na2 S4 Ti2 -","2","0.0833333","","Haange, R.J.; Bos-Alberink, A.J.A.; Wiegers, G.A.","Structures and phase relations for Na Ti S2 and compounds Nax Ti Se2, prepared at temperatures of 473 - 1073 K","Annales de Chimie (Paris)","1978","3","","201","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524688","12.2605","","12.2605","","3.8259","","90","","90","","90","","575.109","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","K0.37 W O3","","- K0.37 O3 W -","- K0.371 O3 W -","- K3.71 O30 W10 -","10","0.625","","Kihlborg, L.; Klug, A.","The alkali metal distribution in the tetraqonal potassium tungsten bronze structure","Chemica Scripta","1973","3","","207","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524823","3.87","","3.87","","6.15","","90","","90","","120","","79.768","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cr (Se0.5 Te0.5)","","- Cr Se0.5 Te0.5 -","- Cr Se0.5 Te0.5 -","- Cr2 Se Te -","2","0.0833333","","Lotgering, F.K.; Gorter, E.W.","Solid solutions betweeen ferromagnetic and antiferromagnetic compounds with Ni As structure","Journal of Physics and Chemistry of Solids","1957","3","","238","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524961","7.62","","7.62","","7.62","","90","","90","","90","","442.451","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ir Sr2 D5","","- D30 Ir Sr2 -","- D30 Ir Sr2 -","- D120 Ir4 Sr8 -","4","0.0208333","","Moyer, R.O.jr.; Stanitski, C.; Tanaka, J.; Kay, M.I.; Kleinberg, R.","Ternary hydrides of calcium and strontium with iridium, rhodium and ruthenium","Journal of Solid State Chemistry","1971","3","","541","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1524976","6.187","","6.187","","6.187","","90","","90","","90","","236.832","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cu2 In Mn -","- Cu2 In Mn -","- Cu8 In4 Mn4 -","4","0.0416667","","Natera, M.G.; Murthy, M.R.L.N.; Begum, R.J.; Satya Murthy, N.S.","Atomic and magnetic structure of the Heusler alloys Pd2 Mn Ge, Pd2 Mn Sn, Cu2 Mn In, and Co2 Mn Sb","Physica Status Solidi, Sectio A: Applied Research","1970","3","","959","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525444","3.385","","3.385","","5.345","","90","","90","","120","","53.039","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Er Zr)","","- Er Zr -","- Er Zr -","- Er Zr -","1","0.0416667","","Wang, R.","Formation of metastable low temperature allotropic solid solutions on rare earth-zirconium systems","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525445","3.4","","3.4","","5.37","","90","","90","","120","","53.76","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Dy Zr)","","- Dy Zr -","- Dy Zr -","- Dy Zr -","1","0.0416667","","Wang, R.","Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium systems","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525567","12.115","","19.708","","10.11","","90","","90","","90","","2413.89","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","H Cl O4 (H2 O)3.5","","- Cl H8 O7.5 -","- Cl H8 O7.5 -","- Cl16 H128 O120 -","16","2","","Almloef, J.","Hydrogen Bond Studies. 72. The crystal structure of H Cl O4 (H2 O)3.5","Chemica Scripta","1973","3","","73","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525575","9.3792","","6.3331","","7.6281","","90","","115.832","","90","","407.828","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na Co2 (O H) (Mo O4)2 (H2 O)","","- Co2 H3 Mo2 Na O10 -","- Co2 Mo2 Na O10 -","- Co4 Mo4 Na2 O20 -","2","0.25","","Amparo Palacio, L.; Echavarria, A.; Saldarriaga, C.","Crystal structure of a cobalt molybdate type phix: Na Co2 O H (H2 O) (Mo O4)2","International Journal of Inorganic Materials","2001","3","","367","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525628","8.6885","","8.2442","","7.1303","","90","","104.351","","90","","494.804","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Li Ga3 F3 (O H) (P O4)2 (H2 O)2","","- F3 Ga3 H5 Li O11 P2 -","- F3 Ga3 Li O11 P2 -","- F6 Ga6 Li2 O22 P4 -","2","0.5","","Beitone, L.; Marrot, J.; Ferey, G.; Lorentz, C.; Loiseau, T.; Taulelle, F.","Hydrothermal synthesis and structure determination of the first three-dimensional oxyfluorinated gallium phosphate incorporating lithium","Solid State Sciences","2001","3","","641","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525629","7.547","","12.065","","11.697","","90","","101.111","","90","","1045.1","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ba (N H4) (P3 O9) (H2 O)2","","- Ba H8 N O11 P3 -","- Ba H8 N O11 P3 -","- Ba4 H32 N4 O44 P12 -","4","1","","Belaaouad, S.; Sbai, K.; Pierrot, M.; Kenz, A.","Chemical preparation, thermal behaviour and crystal structure of ammonium barium cyclotriphosphate dihydrate","Materials Research Innovation","2000","3","","352","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525670","24.70999","","24.70999","","24.70999","","90","","90","","90","","15087.5","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ca28 (Al57 Si135 O384)","","- Al57 Ca28 O384 Si135 -","- Al57.0048 Ca28.336 O384 Si134.995 -","- Al57.0048 Ca28.336 O384 Si134.995 -","1","0.00520833","","Bennett, M.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the faujasite-type framework I. Dehydrated Ca-exchanged faujasite","Materials Research Bulletin","1968","3","","633","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","146698","2020-10-21","18:00:00",""
"1525705","3.5781","","3.5781","","5.1623","","90","","90","","90","","66.092","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zr O2","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Bouvier, P.; Dianoux, A.J.; Djurado, E.; Lucazeau, G.; Ritter, C.","Low temperature phase transformation of nanocrystalline tetragonal Zr O2 by neutron and Raman scattering studies","International Journal of Inorganic Materials","2001","3","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525810","5.4923","","5.4923","","13.3427","","90","","90","","120","","348.564","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.3 Ca0.1) (Mn O3)","","- Ca0.1 La0.6 Mn O3 Sr0.3 -","- Ca0.1 La0.6 Mn O3 Sr0.3 -","- Ca0.6 La3.6 Mn6 O18 Sr1.8 -","6","0.166667","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525812","5.4854","","5.4854","","13.3094","","90","","90","","120","","346.821","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.2 Ca0.2) (Mn O3)","","- Ca0.2 La0.6 Mn O3 Sr0.2 -","- Ca0.2 La0.6 Mn O3 Sr0.2 -","- Ca1.2 La3.6 Mn6 O18 Sr1.2 -","6","0.166667","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525814","5.4527","","5.4814","","7.6976","","90","","90","","90","","230.069","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(La0.6 Sr0.1 Ca0.3) (Mn O3)","","- Ca0.3 La0.6 Mn O3 Sr0.1 -","- Ca0.3 La0.6 Mn O3 Sr0.1 -","- Ca1.2 La2.4 Mn4 O12 Sr0.4 -","4","0.5","","Liu, R.S.; Hu, S.F.; Shen, C.H.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525816","5.4508","","5.4659","","7.6985","","90","","90","","90","","229.365","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.6 Ca0.4) (Mn O3)","","- Ca0.4 La0.6 Mn O3 -","- Ca0.4 La0.6 Mn O3 -","- Ca1.6 La2.4 Mn4 O12 -","4","0.5","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525845","7.479","","7.479","","16.637","","90","","90","","120","","805.921","","","","","","","","","","","","","5","R 3 :H","R 3","146","","(Cs2 (S O4)) (Te (O H)6)","","- Cs2 H6 O10 S Te -","- Cs2 H6 O10 S Te -","- Cs6 H18 O30 S3 Te3 -","3","0.333333","","Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M.","Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6","International Journal of Inorganic Materials","2001","3","","861","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525847","12.817","","7.519","","12.432","","90","","111.16","","90","","1117.31","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cs2 (Se O4)) (Te (O H)6)","","- Cs2 H6 O10 Te -","- Cs2 H6 O10 Te -","- Cs8 H24 O40 Te4 -","4","1","","Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M.","Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6","International Journal of Inorganic Materials","2001","3","","861","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525890","8.2768","","8.2768","","8.2768","","90","","90","","90","","567.006","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sr1.407 Ta0.593 O2.73","","- O2.73 Sr1.407 Ta0.593 -","- O2.73 Sr1.407 Ta0.593 -","- O21.84 Sr11.256 Ta4.744 -","8","0.0416667","","Deniard, P.; Caldes, M.T.; Diot, N.; Zou, X.-D.; Marchand, R.; Brec, R.","Structural modulation in Sr1.4 Ta0.6 O2.9: non-harmonicity on ADPs during Rietveld refinement","International Journal of Inorganic Materials","2001","3","","1121","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","146955","2020-10-21","18:00:00",""
"1525950","5.125","","6.559","","8.173","","75.06","","89.25","","69.62","","247.938","","","","","","","","","","","","","3","P 1","P 1","1","","Ga2 Te4 O11","","- Ga2 O11 Te4 -","- Ga2 O11 Te4 -","- Ga2 O11 Te4 -","1","1","","Dutreilh, M.; Thomas, P.; Frit, B.; Champarnaud-Mesjard, J.C.","Crystal structure of a new gallium tellurite: Ga2 Te4 O11","Solid State Sciences","2001","3","","423","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","147032","2020-10-21","18:00:00",""
"1525958","9.6007","","9.6007","","7.7646","","90","","90","","120","","619.806","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 Mn2 Ni O9","","- Mn2 Ni O9 Sr4 -","- Mn2 Ni0.9999 O9 Sr4 -","- Mn6 Ni2.9997 O27 Sr12 -","3","0.5","","El Abed, A.; Gaudin, E.; Lemaux, S.; Darriet, J.","Crystal structure and magnetic properties of Sr4 Mn2 Ni O9","Solid State Sciences","2001","3","","887","897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525962","3.5536","","3.5986","","3.5528","","90","","90","","90","","45.433","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","B C2 N","","- C2 B N -","- C2 B N -","- C4 B2 N2 -","2","0.5","","Mattesini, M.; Matar, S.F.","Search for ultra-hard materials : theoretical characterisation of novel orthorhombic B C2 N crystals","International Journal of Inorganic Materials","2001","3","","943","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525964","2.528","","2.5024","","3.5871","","90","","90","","90","","22.692","","","","","","","","","","","","","3","P m m 2","P 2 -2","25","","B C2 N","","- C2 B N -","- C2 B N -","- C2 B N -","1","0.25","","Mattesini, M.; Matar, S.F.","Search for ultra-hard materials : theoretical characterisation of novel orthorhombic B C2 N crystals","International Journal of Inorganic Materials","2001","3","","943","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525994","5.281","","7.463","","5.271","","90","","90","","90","","207.741","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Mn O2.95)","","- Ca Mn O2.95 -","- Ca Mn O2.9499 -","- Ca4 Mn4 O11.7996 -","4","0.5","","Melo Jorge, M.E.; Correia dos Santos, A.; Nunes, M.R.","Effects of synthesis method on stoichiometry, structure and electrical conductivity of Ca Mn O3-d","International Journal of Inorganic Materials","2001","3","","915","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526109","4.925","","6.437","","7.928","","90","","107.316","","90","","239.944","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cs H2 (P O4)0.72 (As O4)0.28","","- As0.28 Cs H2 O4 P0.72 -","- As0.279 Cs H2 O4 P0.721 -","- As0.558 Cs2 H4 O8 P1.442 -","2","1","","Naili, H.; Vendier, L.; Jaud, J.; Mhiri, T.","The influence of partial substitution of phosphorus by arsenic in monoclinic Cs H2 P O4. x-ray single crystal, vibrational and phase transitions in the mixed Cs H2 (P O4)0.72 (As O4)0.28","Solid State Sciences","2001","3","","677","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526112","9.5048","","12.4761","","7.6248","","90","","98.73","","90","","893.695","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Fe (C N)6) (H2 O)8","","- C6 H16 Cd2 Fe N6 O8 -","- C6 Cd2 Fe N6 O8 -","- C12 Cd4 Fe2 N12 O16 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526114","9.6208","","12.7016","","7.7512","","90","","98.94","","90","","935.686","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Ru (C N)6) (H2 O)8","","- C6 H16 Cd2 N6 O8 Ru -","- C6 Cd2 N6 O8 Ru -","- C12 Cd4 N12 O16 Ru2 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526116","9.6385","","12.7161","","7.7606","","90","","98.82","","90","","939.924","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Os (C N)6) (H2 O)8","","- C6 H16 Cd2 N6 O8 Os -","- C6 Cd2 N6 O8 Os -","- C12 Cd4 N12 O16 Os2 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526122","10.1362","","5.899","","4.6944","","90","","90","","90","","280.694","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.918 Fe0.027) Mg (P O4)","","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.108 Li3.672 Mg4 O16 P4 -","4","0.5","","Goni, A.; Lezama, L.; Pujana, A.; Arriortua, M.I.; Rojo, T.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526124","10.1171","","5.8803","","4.7012","","90","","90","","90","","279.682","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.758 Fe0.081) Mg (P O4)","","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.324 Li3.032 Mg4 O16 P4 -","4","0.5","","Goni, A.; Rojo, T.; Lezama, L.; Pujana, A.; Arriortua, M.I.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526143","3.6789","","3.6789","","3.7717","","90","","90","","120","","44.208","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Li0.572 Cu0.428) Li2 N","","- Cu0.428 Li2.572 N -","- Cu0.428 Li2.572 N -","- Cu0.428 Li2.572 N -","1","0.0416667","","Gordon, A.G.; Gregory, D.H.; Blake, A.J.; Weston, D.P.; Jones, M.O.","Ternary lithium nitridocuprates, Li3-x-y Cux N : crystal growth, bulk synthesis, structure and magnetic properties","International Journal of Inorganic Materials","2001","3","","973","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526224","9.905","","9.905","","9.905","","90","","90","","90","","971.77","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ga0.5 V2 S2 Se2","","- Ga0.5 S2 Se2 V2 -","- Ga0.5 S2 Se2 V2 -","- Ga4 S16 Se16 V16 -","8","0.0833333","","Haeuseler, H.; Reil, S.; Elitok, E.","Structural investigations in the system Ga0.5 V2 S4 - Ga0.5 V2 Se4","International Journal of Inorganic Materials","2001","3","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","147361","2020-10-21","18:00:00",""
"1526225","10.135","","10.135","","10.135","","90","","90","","90","","1041.05","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ga0.5 V2 Se4","","- Ga0.5 Se4 V2 -","- Ga0.5 Se4 V2 -","- Ga4 Se32 V16 -","8","0.0833333","","Haeuseler, H.; Elitok, E.; Reil, S.","Structural investigations in the system Ga0.5 V2 S4 - Ga0.5 V2 Se4","International Journal of Inorganic Materials","2001","3","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","147363","2020-10-21","18:00:00",""
"1526316","7.3005","","17.3894","","12.3531","","90","","91.139","","90","","1567.93","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na K (Si2 O5)","","- K Na O5 Si2 -","- K Na O5 Si2 -","- K12 Na12 O60 Si24 -","12","3","","Rakic, S.; Kahlenberg, V.","Single crystal structure investigation of twinned Na K Si2 O5 - a novel single layer silicate","Solid State Sciences","2001","3","","659","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526398","4.7725","","7.871","","6.8618","","90","","106.142","","90","","247.597","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","V (P2 O7)","","- O7 P2 V -","- O7 P2 V -","- O14 P4 V2 -","2","1","","Rousse, G.; Wurm, C.; Rodriguez-Carvajal, J.; Morcrette, M.; Gaubicher, J.; Masquelier, C.","Crystal structure of a new vanadium(IV) diphosphate: V P2 O7, prepared by lithium extraction from Li V P2 O7","International Journal of Inorganic Materials","2001","3","","881","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526405","5.4975","","5.4975","","13.433","","90","","90","","120","","351.588","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La1.33 Na0.44 Mn0.44 Ti1.56 O6","","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La3.99 Mn1.32 Na1.32 O18 Ti4.68 -","3","0.0833333","","Ruiz, A.I.; Ezquerra, T.A.; Pico, C.; Lopez, M.L.; Veiga, M.L.","Electrical behaviour of the system La1.33 Nax Mnx Ti2-x O6 (x = 0.66, 0.55 and 0.44)","International Journal of Inorganic Materials","2001","3","","655","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","147584","2020-10-21","18:00:00",""
"1526519","8.1098","","9.1177","","10.8495","","90","","90","","91.53","","801.956","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Sr Fe2 O4","","- Fe2 O4 Sr -","- Fe2 O4 Sr -","- Fe16 O32 Sr8 -","8","2","","Kahlenberg, V.; Fischer, R.X.","Structural characterization of strontium monoferrite Sr Fe2 O4, a new stuffed framework compound","Solid State Sciences","2001","3","","433","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526770","5.8447","","7.0715","","15.309","","90","","90","","90","","632.733","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","Pb3 O2 (O H) Br","","- Br H O3 Pb3 -","- Br O3 Pb3 -","- Br4 O12 Pb12 -","4","1","","Krivovichev, S.V.; Burns, P.C.","Crystal structure of Pb3 O2 (O H) Br, a Br-analogue of damaraite","Solid State Sciences","2001","3","","455","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526866","14.447","","14.447","","10.686","","90","","90","","120","","1931.53","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","La4.333 Cu2.888 V1.444 O13","","- Cu2.888 La4.333 O13 V1.444 -","- Cu2.87 La4.33333 O13 V1.46333 -","- Cu17.22 La26 O78 V8.78 -","6","0.5","","Vander Griend, D.A.; Barry, S.J.; Malo, S.; Poeppelmeier, K.R.; Dravid, V.P.; Dabbousch, N.M.","La3 Cu2 V O9: a surprising variation on the Y Al O3 structure-type with 2D copper clusters of embedded triangles","Solid State Sciences","2001","3","","569","579","","","","","","","","","","","","","","","","","","","","","","has coordinates","148124","2020-10-21","18:00:00",""
"1526905","3.8867","","3.8867","","12.7473","","90","","90","","90","","192.566","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr2 (Ru O4)","","- O4 Ru Sr2 -","- O4 Ru Sr2 -","- O8 Ru2 Sr4 -","2","0.0625","","Voronin, V.I.; Berger, I.F.; Kar'kin, A.E.; Goshchitskii, B.N.; Kozhevnikov, V.L.; Mitberg, E.B.","Crystal structure and valence state of cations in the Sr2 Ru O4 lattice in a wide temperature range","Poverkhnostnye Fizika, Khimiya, Mekhanika","2001","3","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527054","13.5505","","7.1404","","14.484","","90","","90","","90","","1401.41","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Rb6 (V2 O3)2 (V O)2 (P O4)4 (H P1.44 V0.56 O7)","","- H O31 P5.44 Rb6 V6.56 -","- O31 P5.44 Rb6 V6.56 -","- O62 P10.88 Rb12 V13.12 -","2","0.5","","le Fur, E.; de Villars, B.; Pivan, J.Y.; Tortelier, J.","New data on rubidium vanadium phosphate. Structure determination of the disordered (V(V) - P(V)) compound Rb6 (V2 O3)2 (V O)2 (P O4)4 (H P2-x Vx O7) with x = 0.6","International Journal of Inorganic Materials","2001","3","","9","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527055","13.5043","","6.9895","","14.1962","","90","","90","","90","","1339.95","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","K6 (V2 O3)2 (V O)2 (P O4)4 (H P2 O7)","","- H K6 O31 P6 V6 -","- K6 O31 P6 V6 -","- K12 O62 P12 V12 -","2","0.5","","le Fur, E.; Tortelier, J.; de Villars, B.; Pivan, J.Y.","Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M=K(+) ,Tl(+)","International Journal of Inorganic Materials","2001","3","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527056","13.5472","","7.1765","","14.3812","","90","","90","","90","","1398.16","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Tl6 (V2 O3)2 (V O)2 ((P O4)4 (H P V O7))","","- H O31 P5 Tl6 V7 -","- O31 P5 Tl6 V7 -","- O62 P10 Tl12 V14 -","2","0.5","","le Fur, E.; de Villars, B.; Tortelier, J.; Pivan, J.Y.","Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M= K(+) ,Tl(+)","International Journal of Inorganic Materials","2001","3","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527109","7.0975","","7.0975","","6.2723","","90","","90","","90","","315.964","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Er (V O4)","","- Er O4 V -","- Er O4 V -","- Er4 O16 V4 -","4","0.125","","Baglio, J.A.; Sovers, O.J.","Crystal structures of the rare-earth orthovanadates","Journal of Solid State Chemistry","1971","3","","458","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527147","6.836","","6.836","","7.239","","90","","90","","120","","292.963","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pd3 (P S4)2","","- P2 Pd3 S8 -","- P2 Pd3 S8 -","- P2 Pd3 S8 -","1","0.0833333","","Bither, T.A.; Young, H.S.; Donohue, P.C.","Palladium and Platinum Phosphochalcogenides - Synthesis and Properties","Journal of Solid State Chemistry","1971","3","","300","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","148519","2020-10-21","18:00:00",""
"1527337","5.666","","7.712","","5.535","","90","","90","","90","","241.858","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.95 Ca0.05 Mn O3","","- Ca0.05 La0.95 Mn O3 -","- Ca0.05 La0.95 Mn O3 -","- Ca0.2 La3.8 Mn4 O12 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527338","5.638","","7.737","","5.548","","90","","90","","90","","242.01","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.95 Ba0.05 Mn O3","","- Ba0.05 La0.95 Mn O3 -","- Ba0.05 La0.95 Mn O3 -","- Ba0.2 La3.8 Mn4 O12 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527339","5.682","","7.738","","5.56","","90","","90","","90","","244.458","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.95 Ba0.05 Mn0.95 Ti0.05 O3","","- Ba0.05 La0.95 Mn0.95 O3 Ti0.05 -","- Ba0.05 La0.95 Mn0.95 O3 Ti0.05 -","- Ba0.2 La3.8 Mn3.8 O12 Ti0.2 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","148855","2020-10-21","18:00:00",""
"1527340","5.618","","7.798","","5.571","","90","","90","","90","","244.061","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.90 Ba0.10 Mn0.90 Ti0.10 O3","","- Ba0.1 La0.9 Mn0.9 O3 Ti0.1 -","- Ba0.1 La0.9 Mn0.9 O3 Ti0.1 -","- Ba0.4 La3.6 Mn3.6 O12 Ti0.4 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O.; van der Veen, K.R.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","148856","2020-10-21","18:00:00",""
"1527341","5.57","","7.854","","5.574","","90","","90","","90","","243.845","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","La0.875 Ba0.125 Mn0.875 Ti0.125 O3","","- Ba0.125 La0.875 Mn0.875 O3 Ti0.125 -","- Ba0.125 La0.875 Mn0.875 O3 Ti0.125 -","- Ba0.5 La3.5 Mn3.5 O12 Ti0.5 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; van der Veen, K.R.; Loopstra, B.O.","The Crystallographic and magnetic Structures of La(1-X) Bax Mn(1-X) Mex O3 (Me = Mn or Ti)","Journal of Solid State Chemistry","1971","3","","238","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","148857","2020-10-21","18:00:00",""
"1527411","2.549","","2.549","","4.199","","90","","90","","90","","27.283","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(Sn0.6 Tl0.4)","","- Sn0.6 Tl0.4 -","- Sn0.6 Tl0.4 -","- Sn1.2 Tl0.8 -","2","0.0625","","Giessen, B.C.; Vitek, J.M.; Grant, N.J.","Metastable phases in the Tl-Sn system","Metallurgical Transactions","1972","3","","2449","2453","","","","","","","","","","","","","","","","","","","","","","has coordinates","148978","2020-10-21","18:00:00",""
"1527412","3.205","","3.205","","3.004","","90","","90","","120","","26.723","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Sn0.9 Tl0.1)","","- Sn0.9 Tl0.1 -","- Sn0.9 Tl0.1 -","- Sn0.9 Tl0.1 -","1","0.0416667","","Giessen, B.C.; Vitek, J.M.; Grant, N.J.","Metastable phases in the Tl-Sn system","Metallurgical Transactions","1972","3","","2449","2453","","","","","","","","","","","","","","","","","","","","","","has coordinates","148979","2020-10-21","18:00:00",""
"1527426","18.139","","18.509","","18.602","","90","","90","","96","","6211.12","","","","","","","","","","","","","5","B 1 1 2/b","-B 2b","15","","Na8 (U W10 O36) (H2 O)30","","- H60 Na8 O66 U W10 -","- H60 Na8 O66 U W10 -","- H240 Na32 O264 U4 W40 -","4","0.5","","Golubev, A. M.; Spitsyn, V. I.; Muradyan, L. A.; Torchenkova, E. A.; Simonov, V. I.; Kazanskii, L. P.","Determination and refinement of the crystal structure of sodium decatungstouranate(IV) Na8 (U W10 O36) (H2 O)30","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","920","925","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527433","4.3843","","7.0326","","7.4194","","90","","90","","90","","228.763","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Nd -","- Cu2 Nd -","- Cu8 Nd4 -","4","0.25","","Gratz, E.; Loewenhaupt, M.; Frick, B.; Divis, M.; Steiner, W.; Bauer, E.; Mueller, H.; Nowotny, H.; Pillmayr, N.","Structural, magnetic, electronic and transport properties of Nd Cu2","Journal of Physics: Condensed Matter","1991","3","","9297","9318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527562","8.776","","8.776","","12.6366","","90","","90","","120","","842.857","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Fe17 Nd2 N2.6","","- Fe17 N2.6 Nd2 -","- Fe17 N2.58 Nd2 -","- Fe51 N7.74 Nd6 -","3","0.0833333","","Ibberson, R.M.; Moze, O.; Jacobs, T.H.; Buschow, K.H.J.","Nitrogen atom location in rhombohedral and hexagonal RE2 Fe17 Nx compounds","Journal of Physics: Condensed Matter","1991","3","","1219","1226","","","","","","","","","","","","","","","","","","","","","","has coordinates","149190","2020-10-21","18:00:00",""
"1527692","5.735","","9.19","","4.755","","90","","90","","90","","250.611","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Ni O2 -","- Ba Ni O2 -","- Ba4 Ni4 O8 -","4","0.25","","Krischner, H.; Torkar, K.; Kolbesen, B.O.","Beitraege zum System Ba O-Ni O","Journal of Solid State Chemistry","1971","3","","349","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527693","5.631","","5.631","","4.808","","90","","90","","120","","132.028","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ba Ni O3 -","- Ba Ni O3 -","- Ba2 Ni2 O6 -","2","0.166667","","Krischner, H.; Kolbesen, B.O.; Torkar, K.","Beitraege zum System Ba O-Ni O","Journal of Solid State Chemistry","1971","3","","349","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527694","9.85","","9.85","","13","","90","","90","","120","","1092.31","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba Ni O2.55 -","- Ba Ni O2.502 -","- Ba18 Ni18 O45.036 -","18","0.5","","Krischner, H.; Torkar, K.; Kolbesen, B.O.","Beitraege zum System Ba O-Ni O","Journal of Solid State Chemistry","1971","3","","349","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527699","9.17","","10.405","","18.692","","90","","90.97","","90","","1783.22","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pt (Se C (N H2)2)4 Cl2","","- C4 H16 Cl2 N8 Pt Se4 -","- C4 H16 Cl2 N8 Pt Se4 -","- C16 H64 Cl8 N32 Pt4 Se16 -","4","1","","Kubicki, M.M.; Glovyak, T.","The crystal and molecular structure of tetrakis (selenourea) platinum(II) chloride","Materials Science","1977","3","","35","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","187705","2020-10-21","18:00:00",""
"1527740","5.604","","9.618","","14.174","","90","","93.26","","90","","762.732","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr Ir O3","","- Ir O3 Sr -","- Ir O3 Sr -","- Ir12 O36 Sr12 -","12","1.5","","Longo, J.M.; Kafalas, J.A.; Arnott, R.J.","Structure and properties of the high and low pressure forms of Sr Ir O3","Journal of Solid State Chemistry","1971","3","","174","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527759","5.6","","7.133","","12.466","","95.05","","95.17","","108.71","","466.096","","","","","","","","","","","","","2","P -1","-P 1","2","","Ti4 O7","","- O7 Ti4 -","- O7 Ti4 -","- O28 Ti16 -","4","2","","Marezio, M.; Dernier, P.D.","The Crystal Structure of Ti4 O7, a Member of the Homologous Series Tin O(2n-1)","Journal of Solid State Chemistry","1971","3","","340","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","149492","2020-10-21","18:00:00",""
"1527771","14.61","","8.35","","11.38","","90","","90","","90","","1388.29","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dy (Re O4)3 (H2 O)4","","- Dy H8 O16 Re3 -","- Dy O16 Re3 -","- Dy4 O64 Re12 -","4","1","","Mashonkin, V.P.; Ilyukhin, V.V.; Varfolomeev, M.B.","Structure of the orthorhombic rare-earth perrhenate tetrahydrates Tr (Re O4)3 (H2 O)4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1014","1019","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527814","13.053","","23.2","","9.379","","90","","90","","90","","2840.24","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K4 (U O2 (S O4)3)","","- K4 O14 S3 U -","- K4 O14 S3 U -","- K32 O112 S24 U8 -","8","1","","Mikhailov, Yu.N.; Kokh, L.A.; Kuznetsov, V.G.; Sokol, S.K.; Grevtseva, T.G.; Ellert, G.V.","Synthesis and crystal structure of potassium trisulfatouranylate K4 (U O2 (S O4)3)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","508","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527858","7.008","","9.977","","7.729","","90","","90.98","","90","","540.323","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs V2 O5","","- Cs O5 V2 -","- Cs O5 V2 -","- Cs4 O20 V8 -","4","1","","Mumme, W.G.; Watts, J.A.","The Crystal structure of Reduced Cesium Vanadate, Cs V2 O5","Journal of Solid State Chemistry","1971","3","","319","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527915","7.06","","9.711","","13.02","","90","","111.38","","90","","831.218","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(V O) (S O4) (H2 O)5","","- H10 O10 S V -","- O10 S V -","- O40 S4 V4 -","4","1","","Palma-Vittorelli, M.B.; Palma, M.U.; Palumbo, D.; Sgarlata, F.","Evidence for a double covalent bond from paramagnetic resonance, optical absorption and X-ray data","Nuovo Cimento","1956","3","","718","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527918","5.63","","2.86","","5.77","","90","","112.9","","90","","85.585","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na Mn O2","","- Mn Na O2 -","- Mn Na O2 -","- Mn2 Na2 O4 -","2","0.25","","Parant, J.P.; Fouassier, C.; Olazcuaga, R.; Devalette, M.; Hagenmuller, P.","Sur Quelques Nouvelles Phases de Formule Nax Mn O2 (X<1)","Journal of Solid State Chemistry","1971","3","","1","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527919","4.77","","2.852","","6.31","","90","","90","","90","","85.841","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Na Mn O2","","- Mn Na O2 -","- Mn Na O2 -","- Mn2 Na2 O4 -","2","0.25","","Parant, J.P.; Olazcuaga, R.; Devalette, M.; Hagenmuller, P.; Fouassier, C.","Sur Quelques Nouvelles Phases de Formule Nax Mn O2 (X<1)","Journal of Solid State Chemistry","1971","3","","1","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528030","5.321","","5.321","","3.578","","90","","90","","120","","87.732","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Mn2 Ta O3","","- Mn2 O3 Ta -","- Mn2 O3 Ta -","- Mn2 O3 Ta -","1","0.0416667","","Schoenberg, N.","Metallic ternary phases in the Mn-Ta-O system","Acta Metallurgica","1955","3","","14","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528062","7.57","","10.472","","10.392","","90","","90","","118.23","","725.819","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Sm I O5 (H2 O)4","","- H8 I O9 Sm -","- I O9 Sm -","- I4 O36 Sm4 -","4","1","","Shamrai, N.B.; Varfolomeev, M.B.; Saf'yanov, Yu.N.; Plyukhin, V.V.; Kuz'min, E.A.","Structure of periodates of the rare-earth elements Ln I O5 (H2 O)4 (Ln = Pr-Lu And Y)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1588","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528063","7.516","","10.408","","10.249","","90","","90","","118.41","","705.186","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Ho I O5 (H2 O)4","","- H8 Ho I O9 -","- Ho I O9 -","- Ho4 I4 O36 -","4","1","","Shamrai, N.B.; Varfolomeev, M.B.; Plyukhin, V.V.; Kuz'min, E.A.; Saf'yanov, Yu.N.","Structure of periodates of the rare-earth elements Ln I O5 (H2 O)4 (Ln = Pr-Lu And Y)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1588","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528064","7.457","","10.351","","10.212","","90","","90","","118.66","","691.664","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Yb (I O5) (H2 O)4","","- H8 I O9 Yb -","- I O9 Yb -","- I4 O36 Yb4 -","4","1","","Shamrai, N.B.; Plyukhin, V.V.; Saf'yanov, Yu.N.; Varfolomeev, M.B.; Kuz'min, E.A.","Structure of periodates of the rare-earth elements Ln I O5 (H2 O)4 (Ln = Pr-Lu And Y)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1588","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528080","10.0074","","10.0074","","3.4667","","90","","90","","120","","300.67","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- Nb3 Se4 -","- Nb3 Se4 -","- Nb6 Se8 -","2","0.166667","","Smeggil, J.G.","Void Channels in the Nb3 Te4, Ta2 S, and Nb2 Se Structure Types: The Structure of Nb3 Se4","Journal of Solid State Chemistry","1971","3","","248","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528104","7.9742","","8.9255","","10.8761","","90","","114.171","","90","","706.226","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb2 (Ge S4)","","- Ge Pb2 S4 -","- Ge Pb2 S4 -","- Ge4 Pb8 S16 -","4","1","","Susa, K.; Steinfink, H.","Ternary sulfide compounds A B2 S4: The crystal structures of Ge Pb2 S4 and Sn Ba2 S4","Journal of Solid State Chemistry","1971","3","","75","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528105","17.823","","7.359","","12.613","","90","","90","","90","","1654.31","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sn Ba2 S4","","- Ba2 S4 Sn -","- Ba2 S4 Sn -","- Ba16 S32 Sn8 -","8","2","","Susa, K.; Steinfink, H.","Ternary sulfide compounds A B2 S4: the crystal structures of Ge Pb2 S4 and Sn Ba2 S4","Journal of Solid State Chemistry","1971","3","","75","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528179","3.29","","3.29","","5.22","","90","","90","","120","","48.932","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Tb0.2 Zr0.8)","","- Tb0.2 Zr0.8 -","- Tb0.2 Zr0.8 -","- Tb0.4 Zr1.6 -","2","0.0833333","","Wang, R.","Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium systems","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","150143","2020-10-21","18:00:00",""
"1528180","3.375","","3.375","","5.31","","90","","90","","120","","52.381","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Y0.3 Zr0.7)","","- Y0.3 Zr0.7 -","- Y0.3 Zr0.7 -","- Y0.6 Zr1.4 -","2","0.0833333","","Wang, R.","Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium systems","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","150144","2020-10-21","18:00:00",""
"1528269","3.3803","","3.3803","","6.1381","","90","","90","","120","","60.74","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Li V S2","","- Li S2 V -","- Li S2 V -","- Li S2 V -","1","0.0833333","","van Laar, B.; Ijdo, D.J.W.","Preparation, crystal structure, and magnetic structure of Li Cr S2 and Li V S2","Journal of Solid State Chemistry","1971","3","","590","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528445","32.83","","5.411","","5.448","","90","","90","","90","","967.8","","","","","","","","","","","","","3","A b a 2","A 2 -2ab","41","","Bi4 Ti3 O12","","- Bi4 O12 Ti3 -","- Bi4 O12 Ti3 -","- Bi16 O48 Ti12 -","4","","","Dorrian, J.F.; Newnham, R.E.; Smith, D.K.jr.","Crystal structure of Bi4 Ti3 O12","Ferroelectrics","1971","3","","17","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","150681","2020-10-21","18:00:00",""
"1528802","19","","19","","5.47","","90","","90","","90","","1974.67","","","","","","","","","","","","","7","P -4","P -4","81","","Na2 Co (N C S)4 (H2 O)8","","- C4 H16 Co N4 Na2 O8 S4 -","- C4 H16 Co N4 Na2 O8 S4 -","- C16 H64 Co4 N16 Na8 O32 S16 -","4","1","","Preisinger, A.","Ueber die Kristallstruktur des Julienite, Na2 Co (N C S)4 (H2 O)8","Mineralogische und Petrographische Mitteilungen","1953","3","","376","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529003","5.431","","5.389","","25.04999","","90","","90","","90","","733.155","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","Bi3 (Ti Nb) O9","","- Bi3 Nb O9 Ti -","- Bi3 Nb O9 Ti -","- Bi12 Nb4 O36 Ti4 -","4","0.5","","Wolfe, R.W.; Newnham, R.E.; Smith, D.K.jr.; Kay, M.I.","Crystal structure of Bi3 Ti Nb O9","Ferroelectrics","1971","3","","1","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529337","9.83633","0.00033","9.06851","0.0003","5.34709","0.00018","90","","107.09","0.0017","90","","455.9","0.03","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Eu0.12 Na3.88 O24 Sc4 Si8 -","- Ca0 Eu0.12 Mg0 Na3.88 O24 Sc4 Si8 -","- Ca0 Eu0.12 Mg0 Na3.88 O24 Sc4 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","2.47","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529338","9.81825","0.0002","9.04929","0.00019","5.32748","0.0001","90","","106.713","0.0012","90","","453.342","0.016","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca0.68 Eu0.12 Mg0.7 Na3.2 O24 Sc3.3 Si8 -","- Ca0.6748 Eu0.12 Mg0.696 Na3.2052 O24 Sc3.304 Si8 -","- Ca0.6748 Eu0.12 Mg0.696 Na3.2052 O24 Sc3.304 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.973","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529339","9.77208","0.0003","8.97795","0.00029","5.27439","0.00017","90","","106.014","0.0012","90","","444.78","0.02","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca2.94 Eu0.2 Mg3.1 Na0.86 O24 Sc0.9 Si8 -","- Ca2.9444 Eu0.2 Mg3.0992 Na0.8556 O24 Sc0.9008 Si8 -","- Ca2.9444 Eu0.2 Mg3.0992 Na0.8556 O24 Sc0.9008 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.726","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529340","9.79577","0.0002","9.01952","0.00019","5.30306","0.00011","90","","106.359","0.0012","90","","449.574","0.016","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca1.66 Eu0.12 Mg1.71 Na2.22 O24 Sc2.29 Si8 -","- Ca1.658 Eu0.12 Mg1.7092 Na2.222 O24 Sc2.2908 Si8 -","- Ca1.658 Eu0.12 Mg1.7092 Na2.222 O24 Sc2.2908 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.576","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529341","9.78235","0.00044","8.99721","0.00041","5.28777","0.00023","90","","106.133","0.0014","90","","447.07","0.03","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca2.36 Eu0.12 Mg2.44 Na1.52 O24 Sc1.56 Si8 -","- Ca2.3628 Eu0.12 Mg2.4356 Na1.5172 O24 Sc1.5644 Si8 -","- Ca2.3628 Eu0.12 Mg2.4356 Na1.5172 O24 Sc1.5644 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.778","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529342","9.76484","0.00023","8.97439","0.00021","5.26841","0.00012","90","","105.979","0.0011","90","","443.85","0.018","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca3.13 Eu0.12 Mg3.23 Na0.75 O24 Sc0.77 Si8 -","- Ca3.1296 Eu0.12 Mg3.2264 Na0.7504 O24 Sc0.7736 Si8 -","- Ca3.1296 Eu0.12 Mg3.2264 Na0.7504 O24 Sc0.7736 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.659","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529343","9.74888","0.00017","8.9529","0.00016","5.250985","0.000093","90","","105.864","0.00091","90","","440.855","0.014","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca3.88 Eu0.12 O24 Si8 -","- Ca3.88 Eu0.12 Mg4 Na0 O24 Sc0 Si8 -","- Ca3.88 Eu0.12 Mg4 Na0 O24 Sc0 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.455","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1530173","8.24","","13.23","","3.73","","90","","90","","90","","406.627","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","Y3 Cl2 O (O H)5","","- Cl2 H5 O6 Y3 -","- Cl2 O6 Y3 -","- Cl4 O12 Y6 -","2","0.25","","Klevtsova, R.F.; Klevtsov, P.V.; Kozeeva, L.P.","The Crystal Hydrooxichloride Y3 Cl2 O (O H)5","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1967","3","","1430","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530479","5.683","","5.683","","14.096","","90","","90","","120","","394.259","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Ba Mn O2.88 -","- Ba Mn O2.88 -","- Ba6 Mn6 O17.28 -","6","0.5","","Negas, T.; Roth, R.S.","Phase equilibria and structural relations in the system Ba Mn O3-X","Journal of Solid State Chemistry","1971","3","","323","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530480","5.68","","5.68","","23.37299","","90","","90","","120","","653.043","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.81 -","- Ba Mn O2.811 -","- Ba10 Mn10 O28.11 -","10","0.416667","","Negas, T.; Roth, R.S.","Phase equilibria and structural relations in the system Ba Mn O3-X","Journal of Solid State Chemistry","1971","3","","323","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530491","4.0382","","4.0382","","4.1057","","90","","90","","90","","66.952","","","","","","","","","","","","","7","P 4 m m","P 4 -2","99","","Pb (Zr0.44 Ti0.44 Mn0.04 Ni0.04 Nb0.04) O3","","- Mn0.04 Nb0.04 Ni0.04 O3 Pb Ti0.44 Zr0.44 -","- Mn0.04 Nb0.04 Ni0.04 O3 Pb Ti0.44 Zr0.44 -","- Mn0.04 Nb0.04 Ni0.04 O3 Pb Ti0.44 Zr0.44 -","1","0.125","","Ng, Y.S.; Cheary, R.W.","X-Ray Structural Determination of Modified PZT","Ferroelectrics, Letter Section","1985","3","","133","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530543","29.14","","5.574","","14.22","","90","","91.4","","90","","2309.01","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Na3 Nd (V O4)2","","- Na3 Nd O8 V2 -","- Na3 Nd O8 V2 -","- Na36 Nd12 O96 V24 -","12","3","","Parent, C.; Fava, J.; Lemaitre-Blaise, M.; Vlasse, M.; le Flem, G.; Salmon, R.; Hagenmuller, P.; Caro, P.; Antic-Fidancev, E.","Les vanadates Na3 Ln (V O4)2 (Ln = Pr, Nd, Sm, Eu, Gd, Tb)","Nouveau Journal de Chimie","1979","3","","523","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530965","3.75","","3.75","","9.68","","90","","90","","90","","136.125","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Zr Ni2 Si2","","- Ni2 Si2 Zr -","- Ni2 Si2 Zr -","- Ni4 Si4 Zr2 -","2","0.0625","","Voroshilov, Yu.V.; Gladyshevskii, E.I.; Markiv, V.Ya.","The system zirconium-nickel-silicon","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1967","3","","1404","1408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531015","8.38","","8.38","","8.38","","90","","90","","90","","588.48","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Al24 Ce3 Cu8 Mn -","- Al24 Ce3 Cu8 Mn -","- Al24 Ce3 Cu8 Mn -","1","0.0208333","","Zarechnyuk, O.S.; Kripyakevich, P.I.; Kolobnev, I.F.; Cherkashin, E.E.","The quaternary compound Ce3 Mn Cu8 Al24 and its crystal structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1967","3","","182","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531358","9.101","","11.496","","5.935","","90","","90","","90","","620.95","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Pb2 Bi O2 (P O4)","","- Bi P Pb2 -","- Bi P Pb2 -","- Bi4 P4 Pb8 -","4","0.5","","Giraud, S.; Conflant, P.; Drache, M.; Mizrahi, A.; Steinfink, H.; Wignacourt, J.P.","A new family of compounds with tetrahedral anions: Pbn Bi On (X O4), X = V, P, As, n = 1,2,4. a comparison with lead oxysulfates Pbn Pb On (S O4)","Solid State Sciences","2001","3","","593","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531510","12.12","","10.58","","9.28","","90","","90","","90","","1189.97","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K3 Hg (N O2)4 (N O3)","","- Hg K3 N5 O11 -","- Hg K3 N5 O11 -","- Hg4 K12 N20 O44 -","4","0.5","","Hall, D.; Holland, R.V.","The Crystal Structure of K3 (Hg (N O2)4) N O3","Inorganica Chimica Acta","1969","3","","235","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532723","10.2697","","7.7765","","20.472","","90","","92.877","","90","","1632.88","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","K2 Th (P3 Se9)","","- K2 P3 Se9 Th -","- K2 P3 Se9 Th -","- K8 P12 Se36 Th4 -","4","1","","Briggs-Piccoli, P. M.; Abney, K. D.; Dorhout, P. K.","The synthesis and structural characterization of a new beta phase of K~2~ThP~3~Se~9~","Journal of Nuclear Science and Technology","2002","3","","611","615","10.1080/00223131.2002.10875542","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532774","6.676","","7.062","","4.411","","90","","90","","90","","207.961","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sm F3","","- F3 Sm -","- F3 Sm -","- F12 Sm4 -","4","0.5","","Bukvetskii, B.V.; Garashina, L.S.","Crystal-chemical investigation of the orthorhombic trifluorides of samarium, holmium, and ytterbium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1024","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532778","6.218","","6.785","","4.431","","90","","90","","90","","186.94","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb F3","","- F3 Yb -","- F3 Yb -","- F12 Yb4 -","4","0.5","","Bukvetskii, B.V.; Garashina, L.S.","Crystal-chemical investigation of the orthorhombic trifluorides of samarium, holmium, and ytterbium","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1024","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533536","5.8633","","5.8633","","7.847","","90","","90","","90","","269.766","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","K Cu F3","","- Cu F3 K -","- Cu F3 K -","- Cu4 F12 K4 -","4","0.125","","Tanaka, K.; Konishi, M.; Marumo, F.","Refinement of the Structure of K Cu F3 with Aspherical Scattering Factors","Research Laboratory on Engineering Materials, Tokyo Institute of Technology: Report","1978","3","","19","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533670","5.818","","5.818","","8.658","","90","","90","","90","","293.066","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Cu Mn2 O4 -","- Cu Mn2 O4 -","- Cu4 Mn8 O16 -","4","0.125","","Beley, M.; Padel, L.; Bernier, J.C.","Etudes et proprietes des composes Cux Mn3-x O4 (avec x = 1.0, 1.2 et 1.4)","Annales de Chimie (Paris)","1978","3","","429","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533674","8.357","","8.357","","8.357","","90","","90","","90","","583.648","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cu Mn2 O4 -","- Cu Mn2 O4 -","- Cu8 Mn16 O32 -","8","0.0416667","","Beley, M.; Padel, L.; Bernier, J.C.","Etudes et proprietes des composes Cux Mn3-x O4 (avec x = 1.0, 1.2 et 1.4)","Annales de Chimie (Paris)","1978","3","","429","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533677","8.305","","8.305","","8.305","","90","","90","","90","","572.821","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cu1.4 Mn1.6 O4 -","- Cu1.4 Mn1.6 O4 -","- Cu11.2 Mn12.8 O32 -","8","0.0416667","","Beley, M.; Padel, L.; Bernier, J.C.","Etudes et proprietes des composes Cux Mn3-x O4 (avec x = 1.0, 1.2 et 1.4)","Annales de Chimie (Paris)","1978","3","","429","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534166","9.68","","5.65","","4.685","","90","","102.6","","90","","250.061","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pb Cu (S O4) (O H)2","","- Cu H2 O6 Pb S -","- Cu O6 Pb S -","- Cu2 O12 Pb2 S2 -","2","0.5","","Araki, T.","The crystal structure of linarite, reexamined","Mineralogical Journal (Japan)","1962","3","","282","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534340","19.32","","6.89","","5.58","","90","","90","","90","","742.781","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs Sb2 F7","","- Cs F7 Sb2 -","- Cs F7 Sb2 -","- Cs4 F28 Sb8 -","4","0.5","","Bystroem, A.; Wilhelmi, K.A.","The crystal structure of Cs Sb2 F7","Arkiv foer Kemi","1951","3","","373","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534341","6.244","","13.67","","6.491","","90","","90","","90","","554.042","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Sb F5)","","- F5 K2 Sb -","- F5 K2 Sb -","- F20 K8 Sb4 -","4","0.25","","Bystroem, A.; Wilhelmi, K.A.","The crystal structure of K2 Sb F5 and isomorphous compounds","Arkiv foer Kemi","1951","3","","461","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534371","9.293","","10.122","","16.737","","90","","103.44","","90","","1531.23","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co (C2 H6 N5)3 (H2 O)2","","- C6 H22 Co N15 O2 -","- C6 H22 Co N15 O2 -","- C24 H88 Co4 N60 O8 -","4","1","","Coghi, L.; Lanfranchi, M.; Pelizzi, G.; Tarasconi, P.","Structural researches on the chelating behaviour of the biguanide ligand. The crystal structure of Co (C2 H6 N5)3 (H2 O)2 and Cu (C2 H7 N5)2 C O3 (H2 O)4","Transition Metal Chemistry","1978","3","","69","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534372","13.185","","17.546","","6.871","","90","","107.01","","90","","1520.03","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cu (C2 H7 N5)2 C O3 (H2 O)4","","- C5 H14 Cu N10 O7 -","- C5 H14 Cu N10 O7 -","- C20 H56 Cu4 N40 O28 -","4","1","","Coghi, L.; Lanfranchi, M.; Pelizzi, G.; Tarasconi, P.","Structural researches on the chelating behaviour of the biguanide ligand. The crystal structures of Co (C2 H6 N5)3 (H2 O)2 and Cu (C2 H7 N5)2 C O3 (H2 O)4","Transition Metal Chemistry","1978","3","","69","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534376","12.364","","36.992","","3.955","","90","","90","","90","","1808.9","","","","","","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Na13 Nb35 O94 -","- Na13 Nb35 O94 -","- Na13 Nb35 O94 -","1","0.25","","Craig, D.C.; Stephenson, N.C.","The structure of the bronze Na13 Nb35 O94 and the geometry of ferroelectric domains","Journal of Solid State Chemistry","1971","3","","89","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534387","15.45","","3.63","","10.13","","90","","109.1","","90","","536.85","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na0.22 V1.78 Mo0.22 O5","","- Mo0.22 Na0.22 O5 V1.78 -","- Mo0.22 Na0.22 O5 V1.78 -","- Mo1.32 Na1.32 O30 V10.68 -","6","0.75","","Darriet, J.; Galy, J.; Hagenmuller, P.","Les bronzes oxygenes mixtes Mx V2-y Ty O5 (T = Mo, W)","Journal of Solid State Chemistry","1971","3","","604","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","161090","2020-10-21","18:00:00",""
"1534388","15.475","","3.655","","10.15","","90","","108.8","","90","","543.467","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na0.33 V1.67 Mo0.33 O5","","- Mo0.33 Na0.33 O5 V1.67 -","- Mo0.333333 Na0.333333 O5 V1.66667 -","- Mo2 Na2 O30 V10 -","6","0.75","","Darriet, J.; Galy, J.; Hagenmuller, P.","Les bronzes oxygenes mixtes Mx V2-y Ty O5 (T= Mo, W)","Journal of Solid State Chemistry","1971","3","","604","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","161091","2020-10-21","18:00:00",""
"1534389","15.5","","3.672","","10.192","","90","","109.18","","90","","547.888","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na0.4 V1.6 Mo0.4 O5","","- Mo0.4 Na0.4 O5 V1.6 -","- Mo0.4 Na0.4 O5 V1.6 -","- Mo2.4 Na2.4 O30 V9.6 -","6","0.75","","Darriet, J.; Galy, J.; Hagenmuller, P.","Les bronzes oxygenes mixtes Mx V2-y Ty O5 (T = Mo, W)","Journal of Solid State Chemistry","1971","3","","604","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","161092","2020-10-21","18:00:00",""
"1534407","5.6674","","10.771","","7.4738","","90","","102.422","","90","","445.547","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Li (Re O4) (H2 O)","","- H2 Li O5 Re -","- Li O5 Re -","- Li4 O20 Re4 -","4","1","","Abakumov, A.M.; Shpanchenko, R.V.; Rozova, M.G.; Mironov, A.V.; Antipov, E.V.; Bramnik, K.G.","Synthesis and crystal structure of the lithium perrhenate monohydrate Li Re O4 . (H2 O)","Solid State Sciences","2001","3","","581","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534477","10.971","","12.601","","16.035","","90","","90","","90","","2216.77","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Cs (Mo O2 (P O4))","","- Cs Mo O6 P -","- Cs Mo O6 P -","- Cs16 Mo16 O96 P16 -","16","0.5","","Leclaire, A.; Guesdon, A.; Borel, M.M.; Berrah, F.; Raveau, B.","Two molybdenum(VI) monophosphates with a tunnel structure : A Mo O2 P O4 (A = Cs, Tl) and structural relationships in the series.","Solid State Sciences","2001","3","","877","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534479","10.851","","12.452","","15.872","","90","","90","","90","","2144.57","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Tl (Mo O2 (P O4))","","- Mo O6 P Tl -","- Mo O6 P Tl -","- Mo16 O96 P16 Tl16 -","16","0.5","","Leclaire, A.; Guesdon, A.; Borel, M.M.; Berrah, F.; Raveau, B.","Two molybdenum(VI) monophosphates with a tunnel structure : A Mo O2 P O4 (A = Cs, Tl) and structural relationships in the series.","Solid State Sciences","2001","3","","877","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534669","12.245","","12.245","","12.245","","90","","90","","90","","1836.02","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3 Na6.6 Al12 Si12 O48","","- Ag3.612 Al12 Na6.748 O48 Si12 -","- Ag3.612 Al12 Na6.748 O48 Si12 -","- Ag3.612 Al12 Na6.748 O48 Si12 -","1","0.0208333","","Schoellner, R.; Mortier, W.J.; Gellens, L.R.; Uytterhoeven, J.B.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","161591","2020-10-21","18:00:00",""
"1534672","12.301","","12.301","","12.301","","90","","90","","90","","1861.32","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3 Na6.6 Al12 Si12 O48","","- Ag2.8 Al12 Na6.472 O48 Si12 -","- Ag2.8 Al12 Na6.472 O48 Si12 -","- Ag2.8 Al12 Na6.472 O48 Si12 -","1","0.0208333","","Schoellner, R.; Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","161600","2020-10-21","18:00:00",""
"1534675","12.281","","12.281","","12.281","","90","","90","","90","","1852.26","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3 Na13.6 Al12 Si12 O48","","- Ag3 Al12 Na13.6 O48 Si12 -","- Ag2.992 Al12 Na13.624 O48 Si12 -","- Ag2.992 Al12 Na13.624 O48 Si12 -","1","0.0208333","","Schoellner, R.; Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","161605","2020-10-21","18:00:00",""
"1534677","12.234","","12.234","","12.234","","90","","90","","90","","1831.07","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag2.97 Na7.66 Al12 Si12 O48","","- Ag2.97 Al12 Na7.66 O48 Si12 -","- Ag2.968 Al12 Na7.664 O48 Si12 -","- Ag2.968 Al12 Na7.664 O48 Si12 -","1","0.0208333","","Schoellner, R.; Gellens, L.R.; Uytterhoeven, J.B.; Mortier, W.J.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","161610","2020-10-21","18:00:00",""
"1534679","12.241","","12.241","","12.241","","90","","90","","90","","1834.22","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3.11 Na9.24 Al12 Si12 O48","","- Ag3.11 Al12 Na9.24 O48 Si12 -","- Ag3.106 Al12 Na9.236 O48 Si12 -","- Ag3.106 Al12 Na9.236 O48 Si12 -","1","0.0208333","","Schoellner, R.; Mortier, W.J.; Gellens, L.R.; Uytterhoeven, J.B.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","161615","2020-10-21","18:00:00",""
"1534682","12.268","","12.268","","12.268","","90","","90","","90","","1846.38","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3.80 Na4.38 Al12 Si12 O48","","- Ag3.8 Al12 Na4.38 O48 Si12 -","- Ag3.804 Al12 Na4.376 O48 Si12 -","- Ag3.804 Al12 Na4.376 O48 Si12 -","1","0.0208333","","Schoellner, R.; Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","161620","2020-10-21","18:00:00",""
"1534685","12.302","","12.302","","12.302","","90","","90","","90","","1861.78","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag3.48 Na8.08 Al12 Si12 O48","","- Ag3.48 Al12 Na8.08 O48 Si12 -","- Ag3.476 Al12 Na8.08 O48 Si12 -","- Ag3.476 Al12 Na8.08 O48 Si12 -","1","0.0208333","","Schoellner, R.; Gellens, L.R.; Mortier, W.J.; Uytterhoeven, J.B.","Cation location in the zeolites Mg Ag Na - A, Ca Ag Na - A, Ba Ag Na - A, Zn Ag Na - A and Ag Na - A at 293 and 653 K","Zeolites","1983","3","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","161625","2020-10-21","18:00:00",""
"1535025","3.86","","3.86","","19.94","","90","","90","","90","","297.098","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La1.8 Sr1.2 Cu2 O5.86","","- Cu2 La1.8 O5.86 Sr1.2 -","- Cu2 La1.8 O5.858 Sr1.2 -","- Cu4 La3.6 O11.716 Sr2.4 -","2","0.0625","","Somenkov, V.A.; Shil'shtein, S.Sh.; Glaskov, V.P.; Laskova, G.V.; Somenkova, V.P.; Irodova, A.V.","Structure and features of La2-xSr1+xCu2O6+ y","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1990","3","","1502","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","162143","2020-10-21","18:00:00",""
"1535027","3.764","","3.764","","13.17","","90","","90","","90","","186.589","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La1.8 Sr1.2 Cu2 O6.04","","- Cu2 La1.8 O6.04 Sr1.2 -","- Cu2 La1.8 O6.025 Sr1.2 -","- Cu4 La3.6 O12.05 Sr2.4 -","2","0.0625","","Somenkov, V.A.; Shil'shtein, S.Sh.; Glaskov, V.P.; Irodova, A.V.; Somenkova, V.P.; Laskova, G.V.","Structure and features of La2-xSr1+xCu2O6+ y","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1990","3","","1502","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","162147","2020-10-21","18:00:00",""
"1535155","12.3688","","7.1808","","11.605","","90","","91.061","","90","","1030.56","","","","","","","","","","","","","3","C 1 2/m 1 (a,b,a+2*c)","-C 2y (x-1/2*z,y,1/2*z)","12","","Cr4 Ti Se8","","- Cr4 Se8 Ti -","- Cr4 Se8 Ti -","- Cr16 Se32 Ti4 -","4","","","Bensch, W.; Sander, B.; Ritter, C.; Kremer, R.K.; Naether, C.","Synthesis, crystal structure, magnetic properties and spin glass behaviour of the new ternary compound Cr4 Ti Se8","Solid State Sciences","2001","3","","559","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535513","4.3286","","7.1881","","7.5166","","90","","90","","90","","233.875","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","U Pt Ge","","- Ge Pt U -","- Ge Pt U -","- Ge4 Pt4 U4 -","4","0.5","","Hoffmann, R.D.; Poettgen, R.; Lander, G.H.; Rebizant, J.","Platinum - germanium ordering in U Pt Ge","Solid State Sciences","2001","3","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535533","13.5708","","28.116","","4.4147","","90","","90","","90","","1684.46","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Tb7 Te12 -","- Cs3 Tb7 Te12 -","- Cs6 Tb14 Te24 -","2","0.25","","Tougait, O.; Noel, H.; Ibers, J.A.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535535","13.6064","","28.209","","4.4324","","90","","90","","90","","1701.26","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Gd7 Te12 -","- Cs3 Gd7 Te12 -","- Cs6 Gd14 Te24 -","2","0.25","","Tougait, O.; Noel, H.; Ibers, J.A.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535537","13.259","","28.332","","4.473","","90","","90","","90","","1680.3","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Sm7 Te12 -","- Cs3 Sm7 Te12 -","- Cs6 Sm14 Te24 -","2","0.25","","Tougait, O.; Ibers, J.A.; Noel, H.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535732","5.384","","5.384","","7.615","","90","","90","","90","","220.739","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Nd Ni O3","","- Nd Ni -","- Nd Ni -","- Nd4 Ni4 -","4","0.5","","Demazeau, G.; Marbeuf, A.; Hagenmuller, P.; Pouchard, M.","Sur une serie de composes oxygenes du nickel trivalent derives de la perovskite","Journal of Solid State Chemistry","1971","3","","582","589","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535737","5.181","","5.51","","7.425","","90","","90","","90","","211.964","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Ho Ni O3 -","- Ho Ni O3 -","- Ho4 Ni4 O12 -","4","0.5","","Demazeau, G.; Pouchard, M.; Marbeuf, A.; Hagenmuller, P.","Sur une serie de composes oxygenes du nickel trivalent derives de la perovskite","Journal of Solid State Chemistry","1971","3","","582","589","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535763","3.9056","","3.9056","","11.634","","90","","90","","90","","177.462","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Pr Ba2 Cu2 (Cu0.83 Al0.17) O6.55","","- Al0.17 Ba2 Cu2.83 O6.55 Pr -","- Al0.17 Ba2 Cu2.83 O6.54 Pr -","- Al0.17 Ba2 Cu2.83 O6.54 Pr -","1","0.0625","","Bush, A.A.; Ivanov, S.A.; Zavodnik, V.E.; Goncharuk, I.N.; Markov, Yu.F.; Limonov, M.F.","X-ray and KR-spectroscopy investigations of PrBa2(Cu,Al)3Oy single crystals","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1990","3","","819","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535805","11.059","","11.059","","20.346","","90","","90","","120","","2154.97","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba4 Er3 F17 -","- Ba4 Er3 F17.0001 -","- Ba24 Er18 F102.001 -","6","0.333333","","Tyagi, A.K.; Koehler, J.","Preparation and structural elucidation of the new anion-excess fluorite variant Ba4 Er3 F17","Solid State Sciences","2001","3","","689","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535950","5.669","","5.669","","18.767","","90","","90","","120","","522.322","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Mn O2.96 -","- Ba Mn O2.961 -","- Ba8 Mn8 O23.688 -","8","0.333333","","Negas, T.; Roth, R.S.","Phase equilibria and structural relations in the system Ba Mn O3-X","Journal of Solid State Chemistry","1971","3","","323","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536675","5.2691","","8.2674","","12.614","","90","","90.246","","90","","549.483","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr Ni (P2 O7)","","- Ni O7 P2 Sr -","- Ni O7 P2 Sr -","- Ni4 O28 P8 Sr4 -","4","1","","El Bali, B.; Boukhari, A.; Glaum, R.; Maass, K.; Aride, J.; Wald, D.; Abraham, F.","Crystal structure and colour of Sr Ni P2 O7 and Sr Ni3 (P2 O7)2","Solid State Sciences","2001","3","","669","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537012","7.94","","7.94","","7.94","","90","","90","","90","","500.566","","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","K Fe4 (O H)4 (As O4)3 (H2 O)7","","- As3 Fe4 O16 -","- As3 Fe4 O16 -","- As3 Fe4 O16 -","1","0.0416667","","Zemann, J.","Ueber die Struktur des Pharmakosiderits","Experientia","1947","3","","452","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","164962","2020-10-21","18:00:00",""
"1537019","14.49297","","14.87313","","17.57384","","90","","90","","90","","3788.14","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Al32 (P O4)32 (H2 O)61.84","","- Al32 H123.68 O189.84 P32 -","- Al32 O189.84 P32 -","- Al32 O189.84 P32 -","1","0.125","","Fjellvag, H.; Akporiaye, D.E.; Halvorsen, E.N.; Karlsson, A.; Lillerud, K.P.; Kongshaug, K.O.","Crystal structure and MAS-NMR study of rehydrated UiO-7","Solid State Sciences","2001","3","","603","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537076","9.4253","","8.2691","","9.6969","","90","","102.26","","90","","738.528","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N H4) V (B P2 O8 (O H))","","- B H5 N O9 P2 V -","- B H5 N O9 P2 V -","- B4 H20 N4 O36 P8 V4 -","4","1","","Kritikos, M.; Wikstad, E.; Wallden, K.","Hydrothermal syntheses, characterization and magnetic properties of three isostructural chain borophosphates; N H4 M(III) (B P2 O8 (O H)) with M = V or Fe and N H4 (Fe(III)0.53 V(III)0.47) (B P2 O8 (O H))","Solid State Sciences","2001","3","","649","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537078","9.404","","8.316","","9.706","","90","","102.28","","90","","741.678","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(N H4) (Fe0.47 V0.502) (B P2 O8 (O H))","","- B Fe0.47 H5 N O9 P2 V0.502 -","- B Fe0.47 H4 N O9 P2 V0.502 -","- B4 Fe1.88 H16 N4 O36 P8 V2.008 -","4","1","","Kritikos, M.; Wallden, K.; Wikstad, E.","Hydrothermal synthesis, characterization and magnetic properties of three isostructural chain borophosphates: N H4 M(III) (B P2 O8 (O H)) with M = V or Fe and N H4 (Fe(III)0.53 V(III)0.47) (B P2 O8 (O H))","Solid State Sciences","2001","3","","649","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537159","3.8504","","3.8504","","39.303","","90","","90","","90","","582.69","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Bi2 (Ca0.1 Sr0.9)3 Cu4 O10","","- Bi2 Ca0.3 Cu4 O10 Sr2.7 -","- Bi2 Ca0.3 Cu4 O10 Sr2.7 -","- Bi4 Ca0.6 Cu8 O20 Sr5.4 -","2","0.0625","","Kuz'micheva, G.M.; Tarasova, T.N.; Mitin, A.V.; Alekseevskii, N.E.; Tolstova, V.A.; Kim, S.F.; Khlybov, E.P.; Aksel'rud, L.G.; Barabanenkov, Yu.A.","Structural peculiarities in some phases of Bi-Ca-Sr-Cu-O system","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1990","3","","2428","2441","","","","","","","","","","","","","","","","","","","","","","has coordinates","165182","2020-10-21","18:00:00",""
"1537160","6.608","","6.608","","4.107","","90","","90","","90","","179.335","","","","","","","","","","","","","3","P 4/m","-P 4","83","","","","- Ba0.8 Nb5 O8 -","- Ba0.8 Nb5 O8 -","- Ba0.8 Nb5 O8 -","1","0.125","","Zubkov, V.G.; Perelyaev, V.A.; Makarova, O.V.; Berger, I.F.; Kontsevaya, I.A.; Gubanov, V.A.; Turzhevskii, S.A.","One-dimensional clusters of niobium monooxide in Ba Nb5 O8","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1990","3","","2121","2126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537229","8.6374","","18.3536","","9.7209","","90","","90.053","","90","","1541.03","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ba3 Sn4 As6","","- As6 Ba3 Sn4 -","- As6 Ba2.98 Sn3.952 -","- As24 Ba11.92 Sn15.808 -","4","1","","Lam, R.; Mar, A.","The metallic Zintl phase Ba3 Sn4 As6","Solid State Sciences","2001","3","","503","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537578","21.14","","21.14","","3.917","","90","","90","","120","","1515.98","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ba Ta2 O6","","- Ba O6 Ta2 -","- Ba O6 Ta2 -","- Ba12 O72 Ta24 -","12","0.5","","Layden, G.K.","Dielectric and structure studies of hexagonal Ba Ta2 O6","Materials Research Bulletin","1968","3","","349","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537584","3","","3","","16.41","","90","","90","","120","","127.903","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na.75 Fe.75 Ti.25 O2","","- Fe0.75 Na0.75 O2 Ti0.25 -","- Fe0.75 Na0.75 O2 Ti0.25 -","- Fe2.25 Na2.25 O6 Ti0.75 -","3","0.0833333","","Li, C.; Saunders, S.; Reid, A.F.","Nonstoichiometric Alkali Ferrites and Aluminates in the Systems Na Fe O2 - Ti O2, K Fe O2 - Ti O2, K Al O2 - Ti O2, and K Al O2 - Si O2","Journal of Solid State Chemistry","1971","3","","614","620","","","","","","","","","","","","","","","","","","","","","","has coordinates","165837","2020-10-21","18:00:00",""
"1537593","3.71","","3.71","","6.03","","90","","90","","120","","71.878","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cr Se -","- Cr Se -","- Cr2 Se2 -","2","0.166667","","Lotgering, F.K.; Gorter, E.W.","Solid solutions between ferromagnetic and antiferromagnetic compounds with Ni As structure","Journal of Physics and Chemistry of Solids","1957","3","","238","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537944","5.689","","5.689","","5.689","","90","","90","","90","","184.123","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li2 S -","- Li2 S -","- Li8 S4 -","4","0.0208333","","Buehrer, W.; Altorfer, F.; Mesot, J.; Bill, H.; Smith, H.G.; Carron, P.","Lattice dynamics and the diffuse phase transition of lithium sulphide investigated by coherent neutron scattering.","Journal of Physics: Condensed Matter","1991","3","","1055","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537984","4.689","","4.689","","4.689","","90","","90","","90","","103.096","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Li O2 -","- Li O2 -","- Li4 O8 -","4","0.0208333","","Farley, T.W.D.; Hayes, W.; Hull, S.; Hutchings, M.T.; Vrtis, M.","Investigation of thermally induced Li+ ion disorder in Li2O using neutron diffraction.","Journal of Physics: Condensed Matter","1991","3","","4761","4781","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537986","2.6681","","2.6681","","4.9561","","90","","90","","120","","30.554","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mn Zn99)0.02","","- Mn0.02 Zn1.98 -","- Mn0.024 Zn1.976 -","- Mn0.024 Zn1.976 -","1","0.0416667","","Farrar, R.A.; King, H.W.","Axial ratios and solubility limits of H.C.P. eta and epsilon phases in the systems Cd - Mn and Zn - Mn","Metallography","1970","3","","61","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","166382","2020-10-21","18:00:00",""
"1538299","3.316","","10.52","","4.389","","90","","90","","90","","153.107","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- P -","- P -","- P8 -","8","","","Hubtgren, R.; Gingrich, N.S.; Warren, B.E.","The atomic distribution in red and black phosphorus and the crystal structure of black phosphorus","Journal of Chemical Physics","1935","3","","351","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538303","5.438","","5.438","","5.438","","90","","90","","90","","160.812","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho S -","- Ho S -","- Ho4 S4 -","4","0.0208333","","Hulliger, F.; Landolt, M.; Schmelczer, R.","Low-temperature behavior of Dy S, Dy Se, Ho S and Ho Se","Rare Earths in Modern Science and Technology","1982","3","","455","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538304","5.666","","5.666","","5.666","","90","","90","","90","","181.899","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ho Se -","- Ho Se -","- Ho4 Se4 -","4","0.0208333","","Hulliger, F.; Schmelczer, R.; Landolt, M.","Low-temperature behavior of Dy S, Dy Se, Ho S and Ho Se","Rare Earths in Modern Science and Technology","1982","3","","455","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538344","6.15","","6.15","","3.7","","90","","90","","120","","121.194","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Nd (F1.5 (O H)1.5)","","- F1.5 H1.5 Nd O1.5 -","- F1.5 Nd O1.5 -","- F3 Nd2 O3 -","2","0.166667","","Marbeuf, A.; Demazeau, G.; Turrell, S.; Hagenmuller, P.; Caro, P.; Derouet, J.","Les hydroxyfluorures de terres rares","Journal of Solid State Chemistry","1971","3","","637","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538647","4.15","","4.15","","5.78","","90","","90","","120","","86.209","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Sb -","- Mn Sb -","- Mn2 Sb2 -","2","0.0833333","","Lotgering, F.K.; Gorter, E.W.","Solid solutions between ferromagnetic and antiferromagnetic compounds with Ni As structure","Journal of Physics and Chemistry of Solids","1957","3","","238","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538676","5.147","","5.147","","5.147","","90","","90","","90","","136.352","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Nb3 Pt -","- Nb3 Pt -","- Nb6 Pt2 -","2","0.0416667","","Kimura, H.; Ito, A.","The platinum-niobium system","Transactions of the National Research Institute for Metals","1961","3","","27","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538726","6.383","","6.383","","6.383","","90","","90","","90","","260.061","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Pd2 Sn -","- Mn Pd2 Sn -","- Mn4 Pd8 Sn4 -","4","0.0416667","","Natera, M.G.; Murthy, M.R.L.N.; Begum, R.J.; Satya Murthy, N.S.","Atomic and magnetic structure of the Heusler alloys Pd2 Mn Ge, Pd2 Mn Sn, Cu2 Mn In, and Co Mn Sb","Physica Status Solidi, Sectio A: Applied Research","1970","3","","959","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538911","7.62","","7.62","","7.62","","90","","90","","90","","442.451","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ir Sr2 H5","","- H5 Ir Sr2 -","- H4.98 Ir Sr2 -","- H19.92 Ir4 Sr8 -","4","0.0208333","","Moyer, R.O.jr.; Stanitski, C.; Kay, M.I.; Tanaka, J.; Kleinberg, R.","Ternary hydrides of calcium and strontium with iridium, rhodium and ruthenium","Journal of Solid State Chemistry","1971","3","","541","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539020","7.537","","7.537","","5.223","","90","","90","","120","","256.949","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ti5 Ge3","","- Ge3 Ti5 -","- Ge3 Ti5 -","- Ge6 Ti10 -","2","0.0833333","","Pietrokowsky, P.; Duwez, P.","Crystal structures of Ti5 Si3, Ti5 Ge3, and Ti5 Sn3","Journal of Metals","1951","3","","772","773","","","","","","","","","","","","","","","","","","","","","","has coordinates","167746","2020-10-21","18:00:00",""
"1539032","7.518","","7.518","","7.518","","90","","90","","90","","424.92","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ho Mn2 -","- Ho Mn2 -","- Ho8 Mn16 -","8","0.0416667","","Rhyne, J.; Hardman, K.; Malik, S.K.; Wallace, W.E.","Magnetic properties of cubic and hexagonal Ho Mn2","Rare Earths in Modern Science and Technology","1982","3","","391","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539124","3.81","","3.81","","35.76399","","90","","90","","90","","519.154","","","","","","","","","","","","","2","I 1 2 1","I 2y","5","","Ta2 O5","","- O5 Ta2 -","- O5 Ta2 -","- O30 Ta12 -","6","1.5","","Stephenson, N.C.; Roth, R.S.","The crystal structure of the high temperature form of Ta2 O2","Journal of Solid State Chemistry","1971","3","","145","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539147","3.1992","","3.1992","","3.1992","","90","","90","","90","","32.743","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Hf Mo4)0.4","","- Hf0.4 Mo1.6 -","- Hf0.4 Mo1.6 -","- Hf0.4 Mo1.6 -","1","0.0104167","","Taylor, A.; Doyle, N.J.; Kagle, B.J.","The constitution diagram of the molybdenum-hafnium binary system","Journal of the Less-Common Metals","1961","3","","265","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","167970","2020-10-21","18:00:00",""
"1539148","2.762","","2.762","","4.408","","90","","90","","120","","29.122","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Os7 W3)0.2","","- Os1.4 W0.6 -","- Os1.4 W0.6 -","- Os1.4 W0.6 -","1","0.0416667","","Taylor, A.; Kagle, B.J.; Doyle, N.J.","The constitution diagram of the tungsten-osmium binary system","Journal of the Less-Common Metals","1961","3","","333","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","167972","2020-10-21","18:00:00",""
"1539179","6.0917","","6.0917","","6.0917","","90","","90","","90","","226.056","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Mn Pb9 Se10)0.4","","- Mn0.4 Pb3.6 Se4 -","- Mn0.4 Pb3.6 Se4 -","- Mn0.4 Pb3.6 Se4 -","1","0.00520833","","Vanyarkho, V.G.; Zlomanov, V.P.; Novoselova, A.V.","On the formation of solid solutions in the systems Pb Se - Mn Se and Pb Se - Hg Se","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1967","3","","1127","1128","","","","","","","","","","","","","","","","","","","","","","has coordinates","168009","2020-10-21","18:00:00",""
"1539238","3.72","","3.72","","9.5","","90","","90","","90","","131.465","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ni2 Sc Si2 -","- Ni2 Sc Si2 -","- Ni4 Sc2 Si4 -","2","0.0625","","Voroshilov, Yu.V.; Markiv, V.Ya.; Gladyshevskii, E.I.","The system zirconium-nickel-silicon","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1967","3","","1224","1228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539240","3.74","","3.74","","9.65","","90","","90","","90","","134.98","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Hf Ni2 Si2 -","- Hf Ni2 Si2 -","- Hf2 Ni4 Si4 -","2","0.0625","","Voroshilov, Yu.V.; Markiv, V.Ya.; Gladyshevskii, E.I.","The system zirconium-nickel-silicon","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1967","3","","1224","1228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539270","4.806","","4.806","","7.952","","90","","90","","120","","159.065","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn2 Ta -","- Mn2 Ta -","- Mn8 Ta4 -","4","0.166667","","Schoenberg, N.","Metallic ternary phases in the Mn - Ta - O system","Acta Metallurgica","1955","3","","14","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539491","5.451","","3.185","","10.667","","90","","90","","90","","185.194","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U V N2","","- N2 U V -","- N2 U V -","- N8 U4 V4 -","4","0.5","","Spear, K.E.; Leitnaker, J.M.","Phase behavior of the U-V-N system and properties of U V N2","High Temperature Science","1971","3","","29","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539767","3.87","","3.87","","18.9","","90","","90","","120","","245.14","","","","","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","In2 Zn3 S6","","- In2 S6 Zn3 -","- In2 S6 Zn3 -","- In2 S6 Zn3 -","1","0.166667","","Biyushkina, A.V.; Donika, F.G.; Mustya, I.G.; Radautsan, S.I.","Crystal structure of a single-stack polytype (1)B of Zn3 In2 S6","Izvestiya Akademii Nauk Moldavskoi SSR, Seriya Fiziko-Tekhnicheskikh i Matematicheskikh Nauk","1989","3","","68","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","168790","2020-10-21","18:00:00",""
"1540216","17.44","","17.44","","17.44","","90","","90","","90","","5304.44","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Cd8 In14 Se27 -","- Cd8 In14 Se27 -","- Cd32 In56 Se108 -","4","1","","Kawano, S.; Ueda, I.","The fundamental structure and the superstructure of Cd In2 Se4","Memoirs of the faculty of science, Kyushu Unuesity, Series B: Physics","1967","3","","127","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540231","2.89","","2.89","","15.3","","90","","90","","120","","110.667","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","W5 N4","","- N4 W5 -","- N4 W5 -","- N4 W5 -","1","0.0416667","","Khitrova, V.I.; Pinsker, Z.G.","Electron-diffraction investigation of tungsten nitrides","Soviet Physics, Crystallography (= Kristallografiya)","1958","3","","551","558","","","","","","","","","","","","","","","","","","","","","","has coordinates","169468","2020-10-21","18:00:00",""
"1540277","3.847","","3.847","","15.89","","90","","90","","90","","235.163","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Tl Ba2 Ca2 Cu3 O8.5","","- Ba2 Ca2 Cu3 O8.5 Tl -","- Ba2 Ca2 Cu3 O8.505 Tl -","- Ba2 Ca2 Cu3 O8.505 Tl -","1","0.0625","","Liang, J.-K.; Zhang, Y.L.; Ni, Y.M.; Huang, J.Q.; Che, G.-C.; Xie, S.-S.; Cheng Xiangrong","Crystal structure and superconductivity of Tl Ba2 Ca2 Cu3 O8.5","Modern Physics Letters B","1989","3","","561","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540454","8.9174","0.0018","9.1478","0.0019","11.846","0.002","92.804","0.003","110.458","0.003","116.89","0.002","782.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Nell, Kara M.; Fontenot, Sean A.; Carter, Timothy G.; Warner, Marvin G.; Warner, Cynthia L.; Addleman, R. Shane; Johnson, Darren W.","Non-covalent functionalization of high-surface area nanomaterials: a new class of sorbent materials","Environ. Sci.: Nano","2016","3","1","138","","10.1039/C5EN00170F","","","0.71073","MoKα","","0.0512","0.0423","","","0.111","0.1193","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540510","10.049","0.002","11.337","0.002","14.471","0.003","82.53","0.03","83.02","0.03","73.74","0.03","1563","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","1","0.5","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","0.71073","MoKα","","0.0589","0.0547","","","0.1647","0.1663","","","","","","1.219","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540511","9.6687","0.0019","9.948","0.002","19.611","0.004","93.77","0.03","91.33","0.03","90.96","0.03","1881.4","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Li2 N4 O2 -","- C38 H54 Li2 N4 O2 -","- C76 H108 Li4 N8 O4 -","2","1","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","0.71073","MoKα","","0.0782","0.052","","","0.1256","0.1347","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540512","9.8768","0.0003","10.2082","0.0003","11.6883","0.0004","104.144","0.003","90.248","0.003","104.209","0.002","1105.18","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","1","0.5","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","1.54184","CuKα","","0.0403","0.0392","","","0.0964","0.0974","","","","","","1.027","","","","has coordinates","170131","2020-10-21","18:00:00",""
"1540513","11.117","0.002","36.425","0.007","13.538","0.003","90","","96.7","0.03","90","","5444.6","1.9","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C176 H288 Ce4 Cl8 Li4 N16 O8 P8 Si16 -","4","1","","Karmel, Isabell; Batrice, Rami; Eisen, Moris","Catalytic Organic Transformations Mediated by Actinide Complexes","Inorganics","2015","3","4","392","","10.3390/inorganics3040392","","","0.71073","MoKα","","0.0531","0.0363","","","0.0806","0.0859","","","","","","0.977","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540637","10.049","0.002","11.337","0.002","14.471","0.003","82.53","0.03","83.02","0.03","73.74","0.03","1563","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","- C56 H92 Cl2 N8 Nd2 O2 -","1","0.5","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","0.71073","MoKα","","0.0589","0.0547","","","0.1647","0.1663","","","","","","1.219","","","","has coordinates","170841","2020-10-21","18:00:00",""
"1540638","9.6687","0.0019","9.948","0.002","19.611","0.004","93.77","0.03","91.33","0.03","90.96","0.03","1881.4","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Li2 N4 O2 -","- C38 H54 Li2 N4 O2 -","- C76 H108 Li4 N8 O4 -","2","1","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","0.71073","MoKα","","0.0782","0.052","","","0.1256","0.1347","","","","","","1.013","","","","has coordinates,has disorder","170842","2020-10-21","18:00:00",""
"1540639","9.8768","0.0003","10.2082","0.0003","11.6883","0.0004","104.144","0.003","90.248","0.003","104.209","0.002","1105.18","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","- C50 H70 Li2 N4 O2 -","1","0.5","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","1.54184","CuKα","","0.0403","0.0392","","","0.0964","0.0974","","","","","","1.027","","","","has coordinates","170843","2020-10-21","18:00:00",""
"1540640","11.117","0.002","36.425","0.007","13.538","0.003","90","","96.7","0.03","90","","5444.6","1.9","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C44 H72 Ce Cl2 Li N4 O2 P2 Si4 -","- C176 H288 Ce4 Cl8 Li4 N16 O8 P8 Si16 -","4","1","","Sroor, Farid; Hrib, Cristian; Edelmann, Frank","New Lanthanide Alkynylamidinates and Diiminophosphinates","Inorganics","2015","3","4","429","","10.3390/inorganics3040429","","","0.71073","MoKα","","0.0531","0.0363","","","0.0806","0.0859","","","","","","0.977","","","","has coordinates,has disorder","170844","2020-10-21","18:00:00",""
"1540641","14.6954","0.0004","14.3307","0.0006","18.2161","0.0004","90","","90","","90","","3836.2","0.2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18.37 N4 O7.68 Y -","- C16 H18.3664 N4 O7.6832 Y -","- C128 H146.931 N32 O61.4656 Y8 -","8","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","1.54184","CuKα","","0.0612","0.0447","","","0.1075","0.1183","","","","","","1.054","","","","has coordinates,has disorder","170845","2020-10-21","18:00:00",""
"1540642","14.2871","0.0003","19.9839","0.0006","20.0637","0.0007","90","","101.857","0.003","90","","5606.2","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl3 Dy2 N9 O9 -","- C42 H36 Cl3 Dy2 N9 O9 -","- C168 H144 Cl12 Dy8 N36 O36 -","4","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","0.71073","MoKα","","0.0562","0.0452","","","0.1161","0.1221","","","","","","1.077","","","","has coordinates","170845","2020-10-21","18:00:00",""
"1540643","14.218","0.003","20.386","0.004","20.455","0.004","90","","101.982","0.016","90","","5800","2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl3 Gd2 N9 O9 -","- C42 H35 Cl3 Gd2 N9 O9 -","- C168 H140 Cl12 Gd8 N36 O36 -","4","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","0.71073","MoKα","","0.0974","0.0608","","","0.1403","0.1576","","","","","","0.937","","","","has coordinates","170845","2020-10-21","18:00:00",""
"1540644","10.3419","0.0003","14.585","0.0005","15.7309","0.0005","95.672","0.003","95.377","0.002","109.768","0.003","2201.46","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Dy N5 O11 -","- C16 H20 Dy N5 O11 -","- C64 H80 Dy4 N20 O44 -","4","2","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","1.54184","CuKα","","0.0372","0.031","","","0.0743","0.0793","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540645","12.2901","0.0009","15.4666","0.0011","18.778","0.0013","90","","100.085","0.006","90","","3514.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl N7 O8 Y -","- C32 H35 Cl N7 O8 Y -","- C128 H140 Cl4 N28 O32 Y4 -","4","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","","0.71075","MoKα","","0.0905","0.0524","","","0.1169","0.1338","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540646","10.1896","0.0004","11.5565","0.0005","11.5966","0.0005","65.09","0.003","83.184","0.003","84.962","0.004","1228.69","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H82 Ga2 Ho2 N2 -","- C44 H82 Ga2 Ho2 N2 -","- C44 H82 Ga2 Ho2 N2 -","1","0.5","","Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner","Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands","Inorganics","2015","3","4","500","","10.3390/inorganics3040500","","","0.71073","MoKα","","0.0344","0.0296","","","0.0644","0.0661","","","","","","1.082","","","","has coordinates","170846","2020-10-21","18:00:00",""
"1540647","24.0888","0.0013","11.7687","0.0006","20.4327","0.0011","90","","111.559","0.001","90","","5387.3","0.5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H82 Al2 Ho2 N2 -","- C44 H82 Al2 Ho2 N2 -","- C176 H328 Al8 Ho8 N8 -","4","0.5","","Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner","Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands","Inorganics","2015","3","4","500","","10.3390/inorganics3040500","","","0.71073","MoKα","","0.0182","0.0172","","","0.0457","0.0466","","","","","","1.042","","","","has coordinates","170847","2020-10-21","18:00:00",""
"1540770","3.823","","3.823","","37.074","","90","","90","","90","","541.849","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(Bi.8 Pb.2)2 Sr2 Ca2 Cu3 O10","","- Bi1.6 Ca2 Cu3 O10 Pb0.4 Sr2 -","- Bi1.6 Ca2 Cu3 O10 Pb0.4 Sr2 -","- Bi3.2 Ca4 Cu6 O20 Pb0.8 Sr4 -","2","0.0625","","Zhu, X.; Feng, S.; Zhang, J.; Lu, G.; Gan, Z.; Wu, K.; Chen, K.","Structure modification of BiSrCaCuO superconductors due to Pb-substitution","Modern Physics Letters B","1989","3","","707","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","171899","2020-10-21","18:00:00",""
"1540828","7.61","","7.61","","7.61","","90","","90","","90","","440.711","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- W2 Zr -","- W2 Zr -","- W16 Zr8 -","8","0.0416667","","Voroshilov, Yu.V.; Lakh, V.I.; Stadnyk, B.I.; Kuz'ma, Yu.B.","The ternary systems Zr-Cr-B and Zr-W-B","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1967","3","","1390","1392","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540837","3.465","","3.465","","5.49","","90","","90","","120","","57.083","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Tb1.2 Zr0.8 -","- Tb1.2 Zr0.8 -","- Tb1.2 Zr0.8 -","1","0.0416667","","Wang, R.","Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540838","3.47","","3.47","","5.49","","90","","90","","120","","57.248","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Y3 Zr2)0.4","","- Y1.2 Zr0.8 -","- Y1.2 Zr0.8 -","- Y1.2 Zr0.8 -","1","0.0416667","","Wang, R.","Formation of metastable low temperature allotropic solid solutions in rare earth-zirconium","Metallurgical Transactions","1972","3","","1213","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","171983","2020-10-21","18:00:00",""
"1541036","3.8905","","3.8905","","11.674","","90","","90","","90","","176.698","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Y Ba2 Cu2 Co O7.25","","- Ba2 Co Cu2 O7.25 Y -","- Ba2 Co Cu2 O7.25 Y -","- Ba2 Co Cu2 O7.25 Y -","1","0.0625","","Tao, Y.K.; Swinnea, J.S.; Kim, J.S.; Manthiram, A.; Goodenough, J.B.; Steinfink, H.","Co and Fe substitution in Y Ba2 Cu3 O7-d","Journal of Materials Research","1988","3","","248","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541037","3.8791","","3.8791","","11.721","","90","","90","","90","","176.371","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Y Ba2 Cu2.5 Fe.5 O7","","- Ba2 Cu2.5 Fe0.5 O7 Y -","- Ba2 Cu2.5 Fe0.5 O7 Y -","- Ba2 Cu2.5 Fe0.5 O7 Y -","1","0.0625","","Tao, Y.K.; Kim, J.S.; Swinnea, J.S.; Manthiram, A.; Goodenough, J.B.; Steinfink, H.","Co and Fe substitution in Y Ba2 Cu3 O7-d","Journal of Materials Research","1988","3","","248","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541129","8.049","","8.049","","5.454","","90","","90","","120","","306.006","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Sn3 Ti5 -","- Sn3 Ti5 -","- Sn6 Ti10 -","2","0.0833333","","Pietrokowsky, P.; Duwez, P.","Crystal structures of Ti5 Si3, Ti5 Ge3, and Ti5 Sn3","Journal of Metals","1951","3","","772","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541130","7.465","","7.465","","5.162","","90","","90","","120","","249.12","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ti5 Si3","","- Si3 Ti5 -","- Si3 Ti5 -","- Si6 Ti10 -","2","0.0833333","","Pietrokowsky, P.; Duwez, P.","Crystal structures of Ti5 Si3, Ti5 Ge3, and Ti5 Sn3","Journal of Metals","1951","3","","772","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","172363","2020-10-21","18:00:00",""
"1541263","7.6","","7.6","","7.6","","90","","90","","90","","438.976","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ru Sr2 H6","","- H6 Ru Sr2 -","- H6 Ru Sr2 -","- H24 Ru4 Sr8 -","4","0.0208333","","Moyer, R.O.jr.; Kay, M.I.; Stanitski, C.; Kleinberg, R.; Tanaka, J.","Ternary hydrides of calcium and strontium with iridium, rhodium and ruthenium","Journal of Solid State Chemistry","1971","3","","541","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541278","6.794","","7.02","","6.478","","90","","103.51","","90","","300.412","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ce.9 U.1 P O4","","- Ce0.9 O4 P U0.1 -","- Ce0.893 O4 P U0.107 -","- Ce3.572 O16 P4 U0.428 -","4","1","","Mullica, D.F.; Wilson, G.A.; Sappenfield, E.L.","The crystal structure of Ce0.9 U0.1 P O4","Lanthanide and Actinide Research","1989","3","","51","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541675","6.638","","9.039","","11.812","","120.72","","111.55","","98.21","","516.031","","","","","","","","","","","","","5","P -1","-P 1","2","","Zn In F5 (H2 O)7","","- F5 H14 In O7 Zn -","- F5 H14 In O7 Zn -","- F10 H28 In2 O14 Zn2 -","2","1","","Bukvetskii, B.V.; Simonov, V.I.; Polishchuk, S.A.","Determination and Refinement of the Crystal Structure of Heptahydrate Fluorides Zn In F5 (H2 O)7 and Cd Ga F5 (H2 O)7","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","926","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541676","5.949","","9.362","","10.033","","107.45","","102.43","","94.7","","514.097","","","","","","","","","","","","","5","P -1","-P 1","2","","Cd Ga F5 (H2 O)7","","- Cd F5 Ga H14 O7 -","- Cd F5 Ga H14 O7 -","- Cd2 F10 Ga2 H28 O14 -","2","1","","Bukvetskii, B.V.; Simonov, V.I.; Polishchuk, S.A.","Determination and Refinement of the Crystal Structure of Heptahydrate Fluorides Zn In F5 (H2 O)6 and Cd Ga F5 (H2 O)7","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","926","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541724","12.298","","12.298","","12.298","","90","","90","","90","","1859.96","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Na12 Si12 Al12 O48 (C H3 O H)9","","- C9 H36 Al12 Na12 O57 Si12 -","- C9 Al12 Na12 O57 Si12 -","- C9 Al12 Na12 O57 Si12 -","1","0.0208333","","Cheng, M.Y.; Lee, H.S.; Seff, K.","Crystal structure of Na12-A * 9 C H3 O H, a methanol sorption complex of zeolite 4-A, with some discussion of the corresponding acetonitrile complex","Zeolites","1983","3","","348","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","173175","2020-10-21","18:00:00",""
"1541746","4.24","","4.24","","88.8","","90","","90","","120","","1382.53","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd13 I26 -","13","2.16667","","Srivastava, O.N.; Verma, A.R.","Anomalous cadmium iodide structures","Indian Journal for Pure and Applied Physics","1965","3","","42","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541788","11.861","","16.125","","7.546","","90","","90","","94","","1439.72","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","La (Re O4)3 (H2 O)4","","- H8 La O16 Re3 -","- La O16 Re3 -","- La4 O64 Re12 -","4","1","","Mashonkin, V.P.; Varfolomeev, M.B.; Ilyukhin, V.V.","Crystal Structure of Monoclinic Rare Earth Perrhenate Tetrahydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","1248","1253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541911","11.199","0.006","34.737","0.018","10.931","0.006","90","","116.801","0.007","90","","3796","4","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Ce O2 Si4 -","- C30 H60 Ce O2 Si4 -","- C120 H240 Ce4 O8 Si16 -","4","1","","Sutton, Andrew; Clark, David; Scott, Brian; Gordon, John","Synthesis and Characterization of Cerium(IV) Metallocenes","Inorganics","2015","3","4","589","","10.3390/inorganics3040589","","","0.71073","MoKα","","0.1595","0.0696","","","0.1389","0.1775","","","","","","0.966","","","","has coordinates,has disorder","173615","2020-10-21","18:00:00",""
"1542057","9.94","","9.94","","11.61","","90","","90","","90","","1147.11","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cs Sb Cl F3","","- Cl Cs F3 Sb -","- Cl Cs F3 Sb -","- Cl8 Cs8 F24 Sb8 -","8","0.5","","Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.; Zemnukhova, L.A.","Crystal Structure of Cesium Chlorotrifluoroantimonate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1977","3","","259","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542561","9.1934","0.0004","13.5122","0.0005","18.2252","0.0009","76.83","0.004","75.995","0.004","86.625","0.003","2138.9","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","lizhen-3","THPE","","- C50 H68 O4 -","- C50 H68 O4 -","- C100 H136 O8 -","2","1","","Wang, Can; Xu, Bingjia; Li, Mengshu; Chi, Zhenguo; Xie, Yujun; Li, Qianqian; Li, Zhen","A stable tetraphenylethene derivative: aggregation-induced emission, different crystalline polymorphs, and totally different mechanoluminescence properties","Mater. Horiz.","2016","3","3","220","","10.1039/C6MH00025H","","","0.71","MoKα","","0.0957","0.088","","","0.2591","0.2673","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1543136","7.8372","0.0002","7.8372","0.0002","20.9938","0.0007","90","","90","","120","","1116.72","0.05","297.8","0.2","297.8","0.2","","","","","","","","5","R -3 m","-R 3 2""","166","","Methylammonium potassium bismuth chloride double perovskite","","- C2 Bi Cl6 K N2 -","- C2 Bi Cl6 K N2 -","- C6 Bi3 Cl18 K3 N6 -","3","","","Wei, Fengxia; Deng, Zeyu; Sun, Shijing; Xie, Fei; Kieslich, Gregor; Evans, Donald M.; Carpenter, Michael A.; Bristowe, Paul D.; Cheetham, Anthony K.","The synthesis, structure and electronic properties of a lead-free hybrid inorganic‒organic double perovskite (MA)2KBiCl6(MA = methylammonium)","Mater. Horiz.","2016","3","4","328","","10.1039/C6MH00053C","","x-ray","0.71073","MoKα","","0.0226","0.0226","","","0.054","0.054","","","","","","1.144","","","","has coordinates","185680","2020-10-21","18:00:00",""
"1543209","8.5288","0.0011","8.7463","0.0011","9.9866","0.0014","105.144","0.007","93.192","0.007","117.597","0.008","623.53","0.16","100","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N4 S4 -","- C26 H30 N4 S4 -","- C26 H30 N4 S4 -","1","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.71075","MoKα","","0.0633","0.0453","","","0.1047","0.113","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543210","14.575","0.019","7.664","0.009","14.393","0.019","90","","111.28","0.014","90","","1498","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O2 S2 -","- C36 H36 N2 O2 S2 -","- C72 H72 N4 O4 S4 -","2","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.6889","","","0.1514","0.1081","","","0.2753","0.3062","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543211","15.2375","0.001","7.3024","0.0006","28.201","0.003","90","","99.461","0.007","90","","3095.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N2 S4 -","- C36 H36 N2 S4 -","- C144 H144 N8 S16 -","4","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","x-ray","0.6889","Synchrotron","","0.0993","0.0878","","","0.2478","0.2551","","","","","","1.142","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543212","14.526","0.002","5.1215","0.0007","20.577","0.003","90","","109.041","0.008","90","","1447.1","0.4","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 O2 S2 -","- C34 H34 N4 O2 S2 -","- C68 H68 N8 O4 S4 -","2","0.5","","Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J.","To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?","Mater. Horiz.","2016","3","4","333","","10.1039/C6MH00051G","","","0.71075","MoKα","","0.3045","0.145","","","0.3462","0.4364","","","","","","1.137","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543220","9.991","0.003","14.1075","0.0015","15.656","0.004","90","","102","0.02","90","","2158.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3055","0.0853","","","0.1336","0.1815","","","","","","0.999","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543221","9.971","0.003","14.1307","0.0015","15.65","0.004","90","","101.71","0.02","90","","2159.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-bromo-4'-nitro-biphenyl","","","- C12 H8 Br N O2 -","- C12 H8 Br N O2 -","- C96 H64 Br8 N8 O16 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.3217","0.0918","","","0.1083","0.1552","","","","","","0.967","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543222","9.6028","0.0009","14.6523","0.0009","15.5726","0.0016","90","","97.34","0.008","90","","2173.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.208","0.067","","","0.1314","0.184","","","","","","0.966","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543223","9.5964","0.0009","14.6438","0.0008","15.5585","0.0015","90","","97.429","0.008","90","","2168","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-bromo-4'-cyano-biphenyl","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","4","","Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg","Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals","IUCrJ","2016","3","3","219","225","10.1107/S2052252516006709","","","0.71073","MoKα","","0.2336","0.0708","","","0.127","0.1844","","","","","","0.978","","","","has coordinates","182421","2020-10-21","18:00:00",""
"1543412","13.2563","0.0002","13.2563","0.0002","27.5616","0.0007","90","","90","","90","","4843.39","0.16","30","5","30","5","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C45 H32 Cu2 I2 N4 S1.95 -","- C45 H32 Cu2 I2 N4 S1.906 -","- C180 H128 Cu8 I8 N16 S7.624 -","4","0.125","ED5008","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.6899","synchrotron","","0.062","0.0372","","","0.0892","0.0981","","","","","","0.752","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543413","26.7176","0.0005","26.7176","0.0005","7.1942","0.0002","90","","90","","90","","5135.4","0.2","250","2","250","2","","","","","","","","6","P -4","P -4","81","","","","- C45 H32 Cu1.88 I1.88 N4 S3 -","- C45 H32 Cu1.8762 I1.8762 N4 S2.991 -","- C180 H128 Cu7.5048 I7.5048 N16 S11.964 -","4","1","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0866","0.0675","","","0.208","0.2346","","","","","","1.013","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543414","26.8758","0.0004","26.8758","0.0004","7.1689","0.0001","90","","90","","90","","5178.16","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.88 I1.88 N4 S3.012 -","- C180 H128 Cu7.52 I7.52 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.0441","0.0389","","","0.1115","0.1182","","","","","","1.079","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543415","26.8987","0.0005","26.8987","0.0005","7.1788","0.0001","90","","90","","90","","5194.15","0.15","350","2","350","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.88 I1.88 N4 S3.01 -","- C45 H32 Cu1.8762 I1.8762 N4 S3.012 -","- C180 H128 Cu7.5048 I7.5048 N16 S12.048 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.8","synchrotron","","0.046","0.0412","","","0.1146","0.1203","","","","","","1.053","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543416","26.8664","0.0004","26.8664","0.0004","7.1717","0.0001","90","","90","","90","","5176.56","0.13","300","2","300","2","","","","","","","","6","I -4","I -4","82","","","","- C45 H32 Cu1.85 I1.85 N4 S3 -","- C45 H32 Cu1.848 I1.848 N4 S3.008 -","- C180 H128 Cu7.392 I7.392 N16 S12.032 -","4","0.5","","Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki","Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks","IUCrJ","2016","3","4","","","10.1107/S2052252516008423","","","0.7","synchrotron","","0.0453","0.0356","","","0.0974","0.1048","","","","","","0.993","","","","has coordinates,has disorder","183354","2020-10-21","18:00:00",""
"1543858","9.6246","0.0007","5.2079","0.0004","43.103","0.003","90","","100.201","0.002","90","","2126.3","0.3","190","2","190","2","","","","","","","","4","I 1 2 1","I 2y","5","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","ED5010","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0475","0.039","","","0.101","0.105","","","","","","1.065","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543859","9.6176","0.0009","5.2126","0.0005","21.768","0.002","90","","101.123","0.003","90","","1070.79","0.17","215","2","215","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0523","0.038","","","0.0861","0.0922","","","","","","1.075","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543860","9.6132","0.0006","5.2239","0.0003","22.4134","0.0016","90","","101.453","0.002","90","","1103.15","0.12","330","2","330","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","4","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1134","0.0772","","","0.1649","0.1893","","","","","","1.082","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543861","9.6233","0.0012","5.2274","0.0006","22.877","0.003","90","","100.764","0.004","90","","1130.6","0.2","365","2","365","2","","","","","","","","4","C 1 2 1","C 2y","5","L-aminobutanoic acid","S-2-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0735","0.0473","","","0.0933","0.1028","","","","","","1.167","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543862","9.6123","0.0015","5.1222","0.0009","13.183","0.002","90","","98.609","0.005","90","","641.77","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0652","0.0509","","","0.1002","0.1064","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543863","9.604","0.003","5.1222","0.0016","13.352","0.004","90","","97.137","0.007","90","","651.7","0.3","190","2","190","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0978","0.0521","","","0.1014","0.1167","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543864","9.5868","0.0008","5.156","0.0004","27.477","0.003","90","","93.203","0.003","90","","1356.1","0.2","220","2","220","2","","","","","","","","4","I 1 2 1","I 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C4.998 H10.996 N O2 -","- C39.984 H87.968 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.059","0.0441","","","0.1038","0.1097","","","","","","1.106","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543865","9.5855","0.0015","5.1752","0.0009","27.959","0.005","90","","92.057","0.005","90","","1386.1","0.4","270","2","270","2","","","","","","","","4","I 1 2 1","I 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C40 H88 N8 O16 -","8","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0882","0.0519","","","0.1208","0.1354","","","","","","1.088","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543866","9.589","0.004","5.2054","0.0019","14.698","0.007","90","","104.77","0.005","90","","709.4","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norvaline","S-2-aminopentanoic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0535","0.0388","","","0.1034","0.1154","","","","","","1.095","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543867","28.516","0.005","5.2346","0.001","32.233","0.006","90","","116.25","","90","","4315.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C144 H312 N24 O48 -","24","6","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1912","0.0813","","","0.1712","0.2193","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543868","9.5327","0.0007","5.2545","0.0004","14.959","0.001","90","","97.628","0.002","90","","742.66","0.09","210","2","210","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0486","0.0362","","","0.0747","0.0785","","","","","","1.122","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543869","9.5633","0.0015","5.2287","0.0009","15.674","0.003","90","","93.695","0.005","90","","782.1","0.2","330","2","330","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0911","0.051","","","0.1148","0.1294","","","","","","1.1","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543870","9.6033","0.0015","5.2223","0.0008","15.983","0.003","90","","90.916","0.005","90","","801.5","0.2","380","2","380","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1703","0.0708","","","0.1572","0.1885","","","","","","1.092","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543871","9.648","0.009","5.252","0.005","16.561","0.016","90","","103.11","0.02","90","","817.3","1.3","405","2","405","2","","","","","","","","4","C 1 2 1","C 2y","5","L-norleucine","S-2-aminohexanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.2466","0.0974","","","0.1571","0.2054","","","","","","1.081","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543872","9.5118","0.0006","5.1936","0.0004","15.3419","0.001","90","","97.635","0.002","90","","751.18","0.09","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.998 H10.996 N O2 S0.9995 -","- C19.992 H43.984 N4 O8 S3.998 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0625","0.0466","","","0.1098","0.1179","","","","","","1.046","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543873","9.5473","0.0006","5.183","0.0003","15.583","0.001","90","","94.98","0.002","90","","768.19","0.08","320","2","320","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C4.996 H10.992 N O2 S0.999 -","- C19.984 H43.968 N4 O8 S3.996 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.0999","0.0657","","","0.1694","0.1887","","","","","","1.073","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543874","9.588","0.004","5.203","0.002","16.101","0.007","90","","99.869","0.013","90","","791.3","0.6","405","2","405","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-methionine","S-2-amino-4-(methylthio)butanoic acid","","- C5 H11 N O2 S -","- C5.06 H11.12 N O2 S1.015 -","- C20.24 H44.48 N4 O8 S4.06 -","4","2","","Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav","An exceptional series of phase transitions in hydrophobic amino acids with linear side chains","IUCrJ","2016","3","5","","","10.1107/S2052252516010472","","","0.71073","MoKα","","0.1753","0.1166","","","0.2624","0.2928","","","","","","1.16","","","","has coordinates,has disorder","185715","2020-10-21","18:00:00",""
"1543899","6.0287","0.0001","6.0287","0.0001","7.7803","0.0002","90","","90","","90","","282.777","0.01","293","2","293","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.125","","Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele","Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~","IUCrJ","2016","3","5","","","10.1107/S2052252516012574","","","0.71073","MoKα","","0.0291","0.025","","","0.064","0.0658","","","","","","1.087","","","","has coordinates","185841","2020-10-21","18:00:00",""
"1543900","8.3288","0.0001","8.3288","0.0001","8.3288","0.0001","90","","90","","90","","577.76","0.012","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele","Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~","IUCrJ","2016","3","5","","","10.1107/S2052252516012574","","","0.71073","MoKα","","0.0176","0.0171","","","0.0469","0.047","","","","","","1.169","","","","has coordinates","185841","2020-10-21","18:00:00",""
"1543918","25.058","0.005","14.038","0.003","18.102","0.004","90","","97.313","0.003","90","","6316","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0577","0.0392","","","0.1088","0.1215","","","","","","1.049","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543919","24.7872","0.0011","13.8653","0.0008","17.7857","0.0013","90","","97.493","0.004","90","","6060.4","0.6","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0741","0.0557","","","0.194","0.2302","","","","","","1.117","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543920","24.641","0.004","13.7018","0.0006","17.5317","0.0009","90","","97.572","0.008","90","","5867.5","1","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0758","0.0549","","","0.1573","0.1891","","","","","","1.149","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543921","24.29","0.005","13.584","0.003","17.379","0.004","90","","98.51","0.03","90","","5671","2","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0712","0.0466","","","0.1342","0.1748","","","","","","1.187","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543922","24.215","0.005","13.516","0.003","17.266","0.004","90","","98.7","0.03","90","","5586","2","293","0.14","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0484","0.0408","","","0.126","0.1336","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543923","23.765","0.005","13.396","0.003","16.789","0.003","90","","99.58","0.03","90","","5270.3","1.9","293","0.14","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","2","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.083","0.0564","","","0.165","0.2026","","","","","","1.107","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543924","26.529","0.005","13.396","0.003","31.094","0.006","90","","110.11","0.03","90","","10377","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H41.75 Au3 N9 -","- C384 H668 Au48 N144 -","16","4","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.1853","0.132","","","0.2568","0.2903","","","","","","1.098","","","","has coordinates","185884","2020-10-21","18:00:00",""
"1543925","37.163","0.007","13.417","0.003","30.421","0.006","90","","88.48","0.03","90","","15163","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C576 H1008 Au72 N216 -","24","3","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.072","0.0495","","","0.1434","0.1723","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543926","23.3975","0.0014","13.301","0.0011","16.1373","0.0015","90","","99.901","0.006","90","","4947.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C48 H83 Au6 N18 -","- C48 H83 Au6 N18 -","- C192 H332 Au24 N72 -","4","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.1036","0.0693","","","0.194","0.2246","","","","","","1.349","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543927","24.316","0.004","14.341","0.002","20.951","0.005","90","","121.105","0.002","90","","6256","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6701","synchrotron","","0.0438","0.0346","","","0.0895","0.0949","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543928","23.7794","0.0013","14.0552","0.0006","20.087","0.002","90","","121.333","0.01","90","","5734.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0744","0.0481","","","0.1248","0.1542","","","","","","1.156","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543929","23.6575","0.0013","13.9552","0.0006","19.838","0.004","90","","121.445","0.006","90","","5587.6","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0622","0.0383","","","0.1004","0.1204","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543930","23.5723","0.0013","13.8758","0.0006","19.647","0.004","90","","121.589","0.006","90","","5474","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0652","0.0432","","","0.1146","0.1362","","","","","","0.943","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543931","23.4383","0.0014","13.7533","0.0006","19.341","0.004","90","","121.812","0.006","90","","5298.1","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.073","0.0519","","","0.1354","0.154","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543932","23.4449","0.0014","13.6963","0.0007","19.285","0.002","90","","121.92","0.01","90","","5256.2","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.1071","0.0672","","","0.1703","0.2299","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543933","23.364","0.0012","13.6258","0.0007","19.112","0.002","90","","122.08","0.009","90","","5155.3","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0783","0.054","","","0.1209","0.1405","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543934","23.3195","0.001","13.5632","0.0007","18.951","0.003","90","","122.188","0.007","90","","5072.7","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)","","- C24 H42 Au3 N9 -","- C24 H42 Au3 N9 -","- C192 H336 Au24 N72 -","8","1","","Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.","Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure","IUCrJ","2016","3","5","","","10.1107/S2052252516013129","","","0.6889","synchrotron","","0.0996","0.0611","","","0.1463","0.2107","","","","","","1.133","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544208","15.97714","0.00005","15.97714","0.00005","5.581157","0.000002","90","","90","","120","","1233.82","0.005","","","90","","","","","","","","","2","R -3 :H","-R 3","148","","","Benzene:ethane co-crystal","- C20 H24 -","- C20 H24 -","- C60 H72 -","3","0.166667","","Maynard-Casely, H.E.; Hodyss, R.; Cable, M.L.; Vu, T.H.; Rahm, M.","A co-crystal between benzene and ethane, an potential evaporite material for Saturn's moon Titan","IuCrJ","2016","3","","192","199","10.1107/S2052252516002815","","","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544300","9.2584","0.0018","12.936","0.002","15.764","0.003","90","","90","","90","","1888","0.6","100","2","100","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C96 H64 N16 -","8","0.25","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1183","0.0812","","","0.2058","0.2284","","","","","","1.144","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544301","22.1029","0.0005","5.6277","0.0001","7.5548","0.0002","90","","99.707","0.001","90","","926.28","0.04","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 -","- C26 H18 N2 -","- C52 H36 N4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.0548","0.0464","","","0.1436","0.1519","","","","","","1.098","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544302","17.7436","0.0016","10.851","0.0011","7.5217","0.0007","90","","90","","90","","1448.2","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.1506","0.0685","","","0.1328","0.1629","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544303","14.957","0.003","4.8702","0.0009","11.199","0.002","90","","103.719","0.005","90","","792.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1676","0.0784","","","0.1254","0.1498","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544304","7.7923","0.0009","7.9651","0.0009","8.4455","0.001","102.627","0.003","95.961","0.003","114.174","0.003","455.51","0.09","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1665","0.1018","","","0.1549","0.1736","","","","","","1.134","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544305","21.105","0.004","6.5848","0.0011","11.241","0.002","90","","90","","90","","1562.2","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H20 N2 O0 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","0.71073","MoKα","","0.1286","0.0745","","","0.1295","0.1467","","","","","","1.065","","","","has coordinates","187406","2020-10-21","18:00:00",""
"1544306","7.4431","0.0004","3.9111","0.0002","22.7679","0.0012","90","","99.239","0.004","90","","654.19","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","0.5","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.1322","0.0888","","","0.182","0.2074","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544307","38.9915","0.0011","6.9971","0.0002","29.1584","0.0009","90","","130.424","0.002","90","","6056","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N9 O2.75 -","- C12 H12 N9 O2.75 -","- C192 H192 N144 O44 -","16","2","","Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J.","Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds","IUCrJ","2016","3","6","","","10.1107/S2052252516015633","","","1.54178","CuKα","","0.0744","0.0536","","","0.1288","0.1407","","","","","","1.036","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544683","8.23","0.02","12","0.02","6.03","0.01","90","","90","","90","","596","2","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","Cu3(SO4)(OH)4","","antlerite","- Cu3 H4 O8 S -","- Cu3 O8 S -","- Cu12 O32 S4 -","4","0.5","","Araki, T.","The crystal structure of antlerite","Mineralogical Journal","1961","3","","223","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","188717","2020-10-21","18:00:00",""
"1544909","3.7742","0.0009","3.7742","0.0009","12.753","0.004","90","","90","","90","","181.66","0.08","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","La2Li0.5Al0.5O4","","La2Li0.5Al0.5O4 with K2NiF4 structure","- Al0.5 La2 Li0.5 O4 -","- Al0.5 La2 Li0.5 O4 -","- Al La4 Li O8 -","2","0.0625","","Hamao, N.; Kataoka, K.; Akimoto, J.","Single-crystal synthesis and structure refinement of La2Li0.5Al0.5O4 with K2NiF4-type structure","Journal of Asian Ceramic Societies","2015","3","","301","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","189473","2020-10-21","18:00:00",""
"1544912","9.3641","0.0007","9.3641","0.0007","4.9523","0.0003","90","","90","","120","","376.07","0.05","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","CdBi2O6","","CdBi2O6","- Bi2 Cd O6 -","- Bi1.5 Cd0.75 O4.5 -","- Bi6 Cd3 O18 -","4","0.666667","","Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C.","Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances","Journal of Asian Ceramic Societies","2015","3","","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189490","2020-10-21","18:00:00",""
"1544913","5.411","0.0004","5.411","0.0004","5.411","0.0004","90","","90","","90","","158.43","0.02","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Cd0.37Bi0.63O1.79","","Cd0.37Bi0.63O1.79","- Bi0.63 Cd0.37 O1.79 -","- Bi0.63 Cd0.37 O1.79 -","- Bi2.52 Cd1.48 O7.16 -","4","0.0208333","","Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C.","Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79","Journal of Asian Ceramic Societies","2015","3","","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","189491","2020-10-21","18:00:00",""
"1545625","8.9574","0.0005","7.4614","0.0004","10.7212","0.0006","90","","94.158","0.001","90","","714.66","0.07","","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Alpha-prime-SrAlF5","","","- Al F5 Sr -","- Al F5 Sr -","- Al8 F40 Sr8 -","8","2","","Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel","New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba)","Solid State Sciences","2001","3","","441","453","10.1016/S1293-2558(01)01165-7","","x-ray","0.71073","MoKα","","","0.02","","","","0.045","","","","","","0.987","","","","has coordinates","194445","2020-10-21","18:00:00",""
"1545626","19.7345","0.0003","19.7345","0.0003","14.1982","0.0002","90","","90","","90","","5529.5","0.14","","","295","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Al Ca0.33 F5 Sr0.67 -","- Al Ca0.325 F5 Sr0.675 -","- Al64 Ca20.8 F320 Sr43.2 -","64","4","","Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel","New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba)","Solid State Sciences","2001","3","","441","453","10.1016/S1293-2558(01)01165-7","","x-ray","0.71073","MoKα","","","0.039","","","","0.099","","","","","","1.07","","","","has coordinates","194446","2020-10-21","18:00:00",""
"1545627","5.2146","0.0007","7.3933","0.001","14.946","0.002","79.365","0.002","88.525","0.002","88.183","0.002","565.92","0.13","","","295","","","","","","","","","3","P -1","-P 1","2","delta-BaAlF5","","","- Al Ba F5 -","- Al Ba F5 -","- Al6 Ba6 F30 -","6","3","","Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel","New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba)","Solid State Sciences","2001","3","","441","453","10.1016/S1293-2558(01)01165-7","","x-ray","0.71073","MoKα","","","0.033","","","","0.089","","","","","","1.186","","","","has coordinates","194447","2020-10-21","18:00:00",""
"1545809","7.8566","0.0012","21.336","0.004","8.3872","0.0017","90","","90.911","0.011","90","","1405.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0612","0.0561","","","0.1643","0.1744","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545810","7.7971","0.0014","22.217","0.005","7.9179","0.0015","90","","91.479","0.015","90","","1371.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O4 S2 -","- C30 H34 N2 O4 S2 -","- C60 H68 N4 O8 S4 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0589","0.0533","","","0.1565","0.168","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545811","7.409","0.01","8.781","0.011","15.36","0.019","81.63","0.03","86.57","0.03","78.64","0.02","969","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H49 N5 O4 -","- C43 H49 N5 O4 -","- C43 H49 N5 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1435","0.0803","","","0.1939","0.2501","","","","","","0.933","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545812","7.5571","0.0007","24.125","0.002","12.9363","0.0013","90","","92.034","0.004","90","","2357","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O2 -","- C29 H30 N2 O2 -","- C116 H120 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.085","0.0678","","","0.1859","0.205","","","","","","1.175","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545813","8.292","0.006","20.615","0.015","8.47","0.006","90","","92.435","0.007","90","","1446.6","1.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 N2 O4 -","- C34 H38 N2 O4 -","- C68 H76 N4 O8 -","2","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0807","0.0652","","","0.1946","0.2143","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545814","7.485","0.006","8.797","0.007","14.171","0.012","96.618","0.013","93.306","0.012","91.826","0.014","924.6","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0542","0.0486","","","0.1495","0.1632","","","","","","1.093","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545815","7.492","0.005","9.069","0.006","13.643","0.01","98.069","0.013","92.516","0.006","91.428","0.008","916.5","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N4 O4 S2 -","- C42 H44 N4 O4 S2 -","- C42 H44 N4 O4 S2 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0526","0.0479","","","0.1317","0.1459","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545816","7.3795","0.001","8.8871","0.0013","29.533","0.005","89.495","0.017","84.054","0.016","85.281","0.01","1919.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H96 N10 O8 -","- C90 H96 N10 O8 -","- C90 H96 N10 O8 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1001","0.0688","","","0.1879","0.2293","","","","","","1.093","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545817","7.478","0.012","8.739","0.014","23.37","0.03","92.36","0.03","90.29","0.03","93.131","0.019","1524","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H73 N8 O6 -","- C75 H73 N8 O6 -","- C75 H73 N8 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.1271","0.0922","","","0.2642","0.3001","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545818","7.528","0.011","8.948","0.014","14.11","0.02","96.219","0.017","94.61","0.02","90.598","0.013","942","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O4 -","- C46 H48 N4 O4 -","- C46 H48 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0611","0.0511","","","0.1489","0.1668","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545819","7.4957","0.0013","8.7882","0.0017","14.308","0.003","97.049","0.011","94.334","0.013","91.781","0.01","931.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H48 N6 O4 -","- C44 H48 N6 O4 -","- C44 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.065","0.0565","","","0.1589","0.1813","","","","","","1.115","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545820","7.531","0.009","9.026","0.012","13.941","0.017","98.18","0.02","92.03","0.03","91.235","0.012","937","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","- C42 H46 N4 O4 S2 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0929","0.0823","","","0.2705","0.2817","","","","","","1.156","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545821","7.4611","0.0003","8.7285","0.0004","23.6219","0.001","92.85","0.001","91.347","0.001","93.317","0.001","1533.34","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H75 N8 O6 -","- C75 H75 N8 O6 -","- C75 H75 N8 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0627","0.0552","","","0.1315","0.1356","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545822","7.4709","0.0003","8.7326","0.0003","23.6381","0.0009","92.857","0.001","91.317","0.001","93.293","0.001","1537.18","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H79 N8 O5 -","- C77.0006 H79.0018 N8 O5 -","- C77.0006 H79.0018 N8 O5 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0892","0.0593","","","0.1473","0.1643","","","","","","1.031","","","","has coordinates","195745","2020-10-21","18:00:00",""
"1545823","7.4914","0.0003","8.8265","0.0004","23.583","0.001","92.722","0.001","92.976","0.001","91.626","0.001","1554.77","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H77 N6 O6 -","- C77 H77 N6 O6 -","- C77 H77 N6 O6 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0917","0.0545","","","0.1472","0.1641","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545824","7.5407","0.0012","8.9198","0.0013","14.284","0.003","96.506","0.007","96.093","0.01","90.634","0.01","948.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0641","0.0546","","","0.1518","0.1686","","","","","","1.103","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545825","8.356","0.004","24.894","0.012","11.744","0.006","90","","96.324","0.006","90","","2428","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 N2 O2 -","- C27 H38 N2 O2 -","- C108 H152 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0942","0.068","","","0.195","0.2218","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545826","7.546","0.0009","9.4647","0.0016","14.8318","0.0019","85.58","0.02","77.14","0.02","86.77","0.03","1028.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","- C50 H52 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0919","0.0624","","","0.1955","0.2346","","","","","","0.931","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545827","7.324","0.007","8.723","0.008","15.107","0.014","82.27","0.03","88.73","0.03","78.76","0.02","938","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H48 N6 O4 -","- C42 H48 N6 O4 -","- C42 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0973","0.0653","","","0.1749","0.2126","","","","","","1.087","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545828","8.0059","0.0006","24.903","0.002","12.0892","0.0009","90","","91.065","0.003","90","","2409.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C124 H120 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0756","0.0637","","","0.1756","0.1893","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545829","7.195","0.007","8.865","0.008","15.981","0.015","80.52","0.03","84.2","0.03","79.19","0.02","985","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 N4 O4 -","- C44 H50 N4 O4 -","- C44 H50 N4 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.","Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence","IUCrJ","2016","3","2","96","101","10.1107/S2052252515023945","","","0.71073","MoKα","","0.0721","0.0627","","","0.1763","0.1968","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545830","4.9138","0.0004","33.192","0.003","8.3659","0.0007","90","","99.52","0.001","90","","1345.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ACETAZOLAMIDE;2 PYRIDONE","","","- C9 H11 N5 O4 S2 -","- C9 H11 N5 O4 S2 -","- C36 H44 N20 O16 S8 -","4","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","0.71073","MoKα","","0.0483","0.0381","","","0.097","0.1011","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545831","6.8501","0.0003","11.3563","0.0006","12.3387","0.0008","82.288","0.005","81.856","0.004","75.804","0.004","916.19","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;2 PYRIDONE","","","- C14 H16 N6 O5 S2 -","- C14 H16 N6 O5 S2 -","- C28 H32 N12 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0668","0.0647","","","0.1674","0.1707","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545832","4.9969","0.0002","11.6983","0.0006","14.6244","0.0008","70.868","0.005","81.892","0.004","80.262","0.004","792.65","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE; CAPROLACTAM; HYDRATE","","","- C10 H19 N5 O5 S2 -","- C10 H19 N5 O5 S2 -","- C20 H38 N10 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0393","0.0378","","","0.1091","0.1109","","","","","","1.078","","","","has coordinates","195746","2020-10-21","18:00:00",""
"1545833","52.62","0.03","4.816","0.002","17.814","0.009","90","","106.785","0.013","90","","4322","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ACETAZOLAMIDE;DMSO","","","- C5 H9 N4 O3.5 S2.5 -","- C5 H9 N4 O3.5 S2.5 -","- C80 H144 N64 O56 S40 -","16","2","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","0.71073","MoKα","","0.0433","0.038","","","0.0971","0.1005","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545834","11.3972","0.0007","18.1641","0.0003","10.338","0.003","90","","97.046","0.016","90","","2124","0.6","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","ACETAZOLAMIDE;6 Me 2 PYRIDONE","","","- C10 H13 N5 O4 S2 -","- C10 H13 N5 O4 S2 -","- C60 H78 N30 O24 S12 -","6","3","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0423","0.0397","","","0.1037","0.1071","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545835","5.1477","0.0008","10.8147","0.0014","14.2604","0.0016","69.797","0.011","85.463","0.012","81.889","0.012","737.2","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;NICOTINAMIDE","","","- C10 H12 N6 O4 S2 -","- C10 H12 N6 O4 S2 -","- C20 H24 N12 O8 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0819","0.0626","","","0.1722","0.1935","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545836","7.0347","0.0003","10.2539","0.0007","13.7934","0.0009","81.685","0.006","83.028","0.005","88.283","0.005","977.14","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE;NICOTINAMIDE; 2 PYRIDONE","","","- C15 H17 N7 O5 S2 -","- C15 H17 N7 O5 S2 -","- C30 H34 N14 O10 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0651","0.0612","","","0.1729","0.1789","","","","","","1.083","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545837","7.7872","0.0006","10.213","0.0007","10.2464","0.0007","88.192","0.005","76.587","0.006","77.996","0.006","775.22","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACETAZOLAMIDE; 3 OME 2 PYRIDONE","","","- C10 H15 N5 O6 S2 -","- C10 H15 N5 O6 S2 -","- C20 H30 N10 O12 S4 -","2","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0539","0.0496","","","0.1357","0.1413","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545838","9.66166","0.00019","23.4685","0.0004","8.84352","0.00017","90","","100.773","0.0019","90","","1969.88","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACETAZOLAMIDE; VALEROLACTAM","","","- C14 H24 N6 O5 S2 -","- C14 H24 N6 O5 S2 -","- C56 H96 N24 O20 S8 -","4","1","ED5007","Bolla, Geetha; Nangia, Ashwini","Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides","IUCrJ","2016","3","2","152","160","10.1107/S2052252516000543","","","1.54184","CuKα","","0.0478","0.0426","","","0.1215","0.1264","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545839","8.8712","0.0008","10.1819","0.0009","11.2862","0.001","114.633","0.008","93.749","0.007","101","0.007","897.56","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N6 O4 -","- C38 H52 N6 O4 -","- C38 H52 N6 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0509","0.0434","","","0.1172","0.124","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545840","15.533","0.007","8.564","0.004","21.8","0.01","90","","93.873","0.007","90","","2893","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C120 H160 N16 O17 -","- C120 H160 N16 O17 -","- C120 H160 N16 O17 -","1","0.125","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0619","0.0513","","","0.1377","0.1454","","","","","","1.045","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545841","15.6084","0.0008","13.4786","0.0007","17.2209","0.0009","90","","90.2","0.002","90","","3622.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N6 O6 -","- C36 H48 N6 O6 -","- C144 H192 N24 O24 -","4","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0757","0.0534","","","0.1812","0.2107","","","","","","0.845","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545842","9.0005","0.0008","10.0381","0.0009","14.4894","0.0013","108.432","0.008","101.78","0.007","90.484","0.006","1212","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","- C64 H56 N4 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0686","0.0502","","","0.1263","0.1376","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545843","8.9943","0.0015","9.5169","0.0016","14.927","0.003","74.162","0.005","77.589","0.005","89.115","0.006","1199.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O2 -","- C29 H31 N3 O2 -","- C58 H62 N6 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0801","0.0555","","","0.1406","0.1537","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545844","9.034","0.002","9.889","0.002","14.505","0.004","107.761","0.008","101.019","0.007","91.432","0.006","1206.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N6 O4 -","- C62 H54 N6 O4 -","- C62 H54 N6 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0956","0.0593","","","0.145","0.1634","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545845","8.6332","0.0013","9.0194","0.0014","14.869","0.002","105.2","0.004","91.263","0.004","91.519","0.004","1116.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N6 O6 -","- C54 H54 N6 O6 -","- C54 H54 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1669","0.0881","","","0.247","0.2749","","","","","","0.989","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545846","7.812","0.009","8.763","0.01","14.3","0.016","95.009","0.014","95.415","0.011","101.04","0.02","950.9","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 N6 O6 -","- C44 H44 N6 O6 -","- C44 H44 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0637","0.0518","","","0.1519","0.1708","","","","","","1.108","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545847","10.151","0.0011","11.2084","0.0012","12.3363","0.0013","102.012","0.003","105.153","0.003","112.368","0.003","1176.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H56 N6 O8 -","- C56 H56 N6 O8 -","- C56 H56 N6 O8 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1121","0.1045","","","0.4103","0.4122","","","","","","1.193","","","","has coordinates","195747","2020-10-21","18:00:00",""
"1545848","8.662","0.002","10.289","0.003","11.523","0.003","65.003","0.005","76.93","0.005","80.277","0.006","903.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N4 O4 S2 -","- C38 H46 N4 O4 S2 -","- C38 H46 N4 O4 S2 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1058","0.0725","","","0.1807","0.2011","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545849","8.971","0.004","10.078","0.004","11.666","0.005","109.665","0.008","94.353","0.007","90.742","0.007","989.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N2 O2 -","- C24 H23 N2 O2 -","- C48 H46 N4 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.224","0.0953","","","0.2195","0.276","","","","","","0.967","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545850","11.4579","0.0012","11.8325","0.0013","14.9792","0.0016","90","","107.229","0.007","90","","1939.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 N4 O4 -","- C42 H58 N4 O4 -","- C84 H116 N8 O8 -","2","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0785","0.0551","","","0.14","0.1532","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545851","8.983","0.006","12.712","0.009","17.561","0.012","89.485","0.009","76.291","0.009","82.933","0.01","1933","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N6 O4 -","- C46 H44 N6 O4 -","- C92 H88 N12 O8 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.113","0.0656","","","0.1654","0.1919","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545852","8.778","0.002","10.491","0.002","12.095","0.003","66.387","0.005","81.548","0.006","69.631","0.005","956.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N3 O2 -","- C23 H22 N3 O2 -","- C46 H44 N6 O4 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0959","0.0597","","","0.1388","0.1559","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545853","8.921","0.005","10.723","0.006","10.954","0.006","67.417","0.01","81.183","0.009","78.367","0.008","944.3","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","- C46 H50 N4 O4 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1212","0.0736","","","0.187","0.209","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545854","8.284","0.011","8.564","0.012","14.6","0.02","78.65","0.05","87.26","0.06","64.4","0.04","915","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N6 O6 -","- C40 H48 N6 O6 -","- C40 H48 N6 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.1038","0.0744","","","0.2246","0.2453","","","","","","1.139","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545855","9.012","0.007","11.241","0.008","18.355","0.013","94.296","0.013","93.207","0.011","92.248","0.006","1850","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 N6 O6 -","- C44 H40 N6 O6 -","- C88 H80 N12 O12 -","2","1","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0785","0.0661","","","0.1803","0.2043","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545856","7.576","0.005","9.081","0.006","16.503","0.011","96.651","0.013","90.601","0.011","91.433","0.008","1127.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 N8 O6 -","- C56 H48 N8 O6 -","- C56 H48 N8 O6 -","1","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0643","0.0562","","","0.155","0.1707","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545857","8.876","0.004","11.941","0.006","17.98","0.009","90","","97.072","0.004","90","","1891.2","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N4 O6 -","- C44 H46 N4 O6 -","- C88 H92 N8 O12 -","2","0.5","","Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R.","Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM)","IUCrJ","2016","3","2","102","107","10.1107/S2052252515023957","","","0.71073","MoKα","","0.0542","0.0486","","","0.1402","0.153","","","","","","1.104","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545858","34.376","0.0007","15.0832","0.0003","29.6413","0.0009","90","","100.675","0.002","90","","15103","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H84 I6 N12 Zn3 -","- C66 H84 I6 N12 Zn3 -","- C528 H672 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.063","0.0547","","","0.1515","0.1588","","","","","","1.053","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545859","35.0725","0.0006","14.8911","0.0003","30.9658","0.0006","90","","101.956","0.002","90","","15821.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73.5 H78.76 I6 N12 Zn3 -","- C73.5 H78.768 I6 N12 Zn3 -","- C588 H630.144 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0412","0.0379","","","0.1007","0.1035","","","","","","1.056","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545860","32.8072","0.0002","14.9123","0.0001","34.9062","0.0002","90","","105.822","0.001","90","","16430.2","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C285 H317 I24 N48 O15 Zn12 -","- C285 H317 I24 N48 O15 Zn12 -","- C570 H634 I48 N96 O30 Zn24 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0331","0.0312","","","0.0769","0.0781","","","","","","1.02","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545861","34.4746","0.0008","15.0255","0.0003","30.1535","0.0009","90","","99.681","0.002","90","","15397","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.47 H64.79 I6.01 N12 O4.06 Zn3 -","- C61.476 H64.792 I6 N12 O4.064 Zn3 -","- C491.808 H518.336 I48 N96 O32.512 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0877","0.0808","","","0.2051","0.2136","","","","","","1.197","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545862","34.1414","0.0019","14.5641","0.0005","34.9597","0.0014","90","","108.633","0.005","90","","16472.2","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 I6 N12 O10.5 Zn3 -","- C75 H72 I6 N12 O10.5 Zn3 -","- C600 H576 I48 N96 O84 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0993","0.0768","","","0.1612","0.173","","","","","","1.091","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545863","34.9043","0.0009","14.955","0.0002","30.3469","0.0008","90","","100.074","0.002","90","","15596.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H66 I6 N12 O9 Zn3 -","- C67 H66 I6 N12 O9 Zn3 -","- C536 H528 I48 N96 O72 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0755","0.0536","","","0.1382","0.1545","","","","","","1.033","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545864","36.8116","0.001","14.6974","0.0003","30.6993","0.0008","90","","103.07","0.002","90","","16179.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69.69 H80.8 I6 N14.11 Zn3 -","- C69.678 H80.791 I6 N14.113 Zn3 -","- C557.424 H646.328 I48 N112.904 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0701","0.0653","","","0.1515","0.1541","","","","","","1.128","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545865","32.5791","0.0008","15.2458","0.0003","29.0346","0.0009","90","","98.398","0.002","90","","14266.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58.32 H48.8 I6 N14.2 O6.61 Zn3 -","- C58.316 H48.796 I6 N14.204 O6.612 Zn3 -","- C466.528 H390.368 I48 N113.632 O52.896 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0779","0.0667","","","0.1959","0.2061","","","","","","1.09","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545866","35.1288","0.0012","14.767","0.0004","30.8649","0.0011","90","","101.432","0.003","90","","15693.4","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64.44 H65.6 I6 N12 O1.48 Zn3 -","- C64.425 H65.59 I6 N12 O1.477 Zn3 -","- C515.4 H524.72 I48 N96 O11.816 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0517","0.0416","","","0.1136","0.1216","","","","","","1.044","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545867","14.8292","0.0006","17.9234","0.0007","29.9062","0.0008","96.836","0.003","93.529","0.003","110.142","0.004","7364.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120.9 H108 I11.99 N24 O12.59 Zn5.99 -","- C120.876 H108 I11.992 N24 O12.584 Zn5.996 -","- C241.752 H216 I23.984 N48 O25.168 Zn11.992 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.1572","0.1296","","","0.4157","0.439","","","","","","1.574","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545868","14.8303","0.0005","17.913","0.0008","29.8943","0.0008","96.803","0.003","93.488","0.003","110.229","0.004","7355","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H113.6 I12 N24 O12.14 Zn6 -","- C123 H113.592 I12 N24 O12.136 Zn6 -","- C246 H227.184 I24 N48 O24.272 Zn12 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0983","0.053","","","0.1189","0.1308","","","","","","0.866","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545869","14.8303","0.0005","17.913","0.0008","29.8943","0.0008","96.803","0.003","93.488","0.003","110.229","0.004","7355","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H112.85 I11.99 N24 O12.39 Zn5.99 -","- C123 H112.848 I11.99 N24 O12.384 Zn5.995 -","- C246 H225.696 I23.98 N48 O24.768 Zn11.99 -","2","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.098","0.0546","","","0.1247","0.1379","","","","","","0.866","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545870","35.8691","0.0014","14.8864","0.0003","31.2823","0.0009","90","","102.711","0.004","90","","16294.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71.25 H57.96 Br1.92 I6 N12 Zn3 -","- C71.25 H57.963 Br1.923 I6 N12 Zn3 -","- C570 H463.704 Br15.384 I48 N96 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.0915","0.0752","","","0.2182","0.2359","","","","","","1.038","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1545871","34.0465","0.0014","14.9235","0.0004","30.8377","0.0013","90","","100.629","0.004","90","","15399.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.92 H58.15 I6 N12 O5.89 Zn3 -","- C60.922 H58.156 I6 N12 O5.883 Zn3 -","- C487.376 H465.248 I48 N96 O47.064 Zn24 -","8","1","","Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto","The crystalline sponge method updated","IUCrJ","2016","3","2","139","151","10.1107/S2052252515024379","","x-ray","1.54184","CuKα","","0.1046","0.0733","","","0.2113","0.2397","","","","","","1.038","","","","has coordinates,has disorder","195748","2020-10-21","18:00:00",""
"1547347","4.9877","","4.9877","","17.053","0.0003","90","","90","","120","","367.394","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0134","0.0133","","","0.0201","0.0201","","","","1.69","1.69","1.68","","","","has coordinates","288072","2023-12-06","13:08:11",""
"1547348","4.988","","4.988","","17.0607","0.0003","90","","90","","120","","367.604","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0181","0.0177","","","0.024","0.0241","","","","1.85","1.85","1.83","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547349","4.986","","4.986","","17.0592","0.0003","90","","90","","120","","367.277","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.018","0.0173","","","0.023","0.0231","","","","1.81","1.81","1.77","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547350","4.9876","","4.9876","","17.0575","0.0005","90","","90","","120","","367.476","0.011","295","","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0207","","","0.0264","0.0264","","","","2.18","2.18","2.17","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547351","4.9804","0.0001","4.9804","0.0001","17.1932","0.0005","90","","90","","120","","369.331","0.015","580","","580","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0277","0.0277","","","0.0308","0.0308","","","","2.39","2.39","2.39","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547352","4.978","0.0001","4.978","0.0001","17.2509","0.0005","90","","90","","120","","370.213","0.015","683","","683","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0171","0.0171","","","0.0273","0.0273","","","","2.16","2.16","2.16","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547353","4.9763","0.0001","4.9763","0.0001","17.3134","0.0005","90","","90","","120","","371.301","0.015","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0271","0.0269","","","0.0342","0.0344","","","","2.68","2.68","2.67","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547354","4.9768","","4.9768","","17.3026","0.0004","90","","90","","120","","371.144","0.009","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0197","0.0197","","","","1.61","1.61","1.6","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547355","4.9756","","4.9756","","17.3717","0.0003","90","","90","","120","","372.446","0.006","891","","891","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0174","0.0159","","","0.022","0.0223","","","","1.58","1.58","1.52","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547356","4.9752","","4.9752","","17.445","0.0004","90","","90","","120","","373.958","0.009","974","","974","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0335","0.0283","","","0.032","0.0328","","","","2.13","2.13","1.94","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547370","4.9747","","4.9747","","17.4468","0.0003","90","","90","","120","","373.921","0.006","995","","995","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0197","","","0.0239","0.0243","","","","1.89","1.89","1.81","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547371","4.9694","","4.9694","","17.758","0.0003","90","","90","","120","","379.78","0.006","1213","","1213","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0551","0.0388","","","0.0558","0.0683","","","","1.43","1.43","1.27","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547372","4.9679","","4.9679","","17.809","0.0003","90","","90","","120","","380.641","0.006","1234","","1234","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.045","0.0341","","","0.0562","0.0574","","","","4.37","4.37","3.66","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547373","4.9745","","4.9745","","17.4912","0.0003","90","","90","","120","","374.843","0.006","1037","","1037","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0217","","","0.025","0.0256","","","","1.72","1.72","1.63","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547374","4.9746","","4.9746","","17.5316","0.0003","90","","90","","120","","375.724","0.006","1058","","1058","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0279","0.0213","","","0.0262","0.0278","","","","1.65","1.65","1.48","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547375","4.9738","","4.9738","","17.5413","0.0003","90","","90","","120","","375.811","0.006","1078","","1078","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0229","0.0201","","","0.025","0.0255","","","","1.73","1.73","1.6","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547376","4.9738","","4.9738","","17.5547","0.0003","90","","90","","120","","376.098","0.006","1099","","1099","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0201","","","0.0261","0.0269","","","","1.81","1.81","1.67","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547377","4.9738","","4.9738","","17.5798","0.0003","90","","90","","120","","376.635","0.006","1120","","1120","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0271","0.0225","","","0.0275","0.0287","","","","1.89","1.89","1.76","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547378","4.9725","","4.9725","","17.6257","0.0003","90","","90","","120","","377.421","0.006","1151","","1151","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0221","0.0211","","","0.0295","0.0297","","","","2.3","2.3","2.17","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547379","4.9728","","4.9728","","17.6811","0.0003","90","","90","","120","","378.653","0.006","1182","","1182","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0322","0.0249","","","0.0334","0.0345","","","","2.27","2.27","1.96","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547380","4.9714","","4.9714","","17.6902","0.0003","90","","90","","120","","378.635","0.006","1192","","1192","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0262","0.0235","","","0.0326","0.0333","","","","2.58","2.58","2.39","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547381","4.9699","","4.9699","","8.9166","","90","","90","","120","","190.733","","1254","","1254","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C Ca O3 -","- C Ca O3 -","- C3 Ca3 O9 -","3","0.0833333","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0345","0.024","","","0.0287","0.0312","","","","1.91","1.91","1.63","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547382","4.9689","","4.9689","","8.9364","","90","","90","","120","","191.079","","1275","","1275","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C Ca O3 -","- C Ca O3 -","- C3 Ca3 O9 -","3","0.0833333","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0394","0.0251","","","0.0284","0.031","","","","1.86","1.86","1.57","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547383","9.0107","0.0006","22.8169","0.0016","25.9541","0.0017","90","","90","","90","","5336.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H61 Au Cl4 O3 P -","- C57 H61 Au Cl4 O3 P -","- C228 H244 Au4 Cl16 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0834","0.0511","","","0.1045","0.1164","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547384","9.7873","0.0003","12.8393","0.0004","39.6173","0.0013","90","","90","","90","","4978.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H45 Au Cl O3 P Si2 -","- C62 H45 Au Cl O3 P Si2 -","- C248 H180 Au4 Cl4 O12 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0389","0.036","","","0.0841","0.085","","","","","","1.118","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547385","13.2861","0.0014","13.2861","0.0014","14.7974","0.0015","90","","90","","90","","2612","0.5","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C32 H25 Au Cl Fe P -","- C32 H25 Au Cl Fe P -","- C128 H100 Au4 Cl4 Fe4 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0302","0.0287","","","0.0788","0.0805","","","","","","0.864","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547386","9.7478","0.0014","9.7478","0.0014","23.296","0.003","90","","90","","120","","1917","0.5","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C28 H33 Au Cl Fe P -","- C28 H33 Au Cl Fe P -","- C84 H99 Au3 Cl3 Fe3 P3 -","3","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0496","0.0483","","","0.1219","0.1231","","","","","","1.063","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547387","9.6442","0.0011","15.8547","0.0015","17.74","0.002","90","","90","","90","","2712.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Fe O S -","- C32 H38 Fe O S -","- C128 H152 Fe4 O4 S4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0532","0.0439","","","0.1062","0.1108","","","","","","1.035","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547388","19.461","0.002","9.2739","0.0011","20.008","0.002","90","","112.325","0.002","90","","3340.4","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H57 Au Cl O3 P -","- C30 H57 Au Cl O3 P -","- C120 H228 Au4 Cl4 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0805","0.0687","","","0.1694","0.1771","","","","","","1.048","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547389","11.6873","0.0011","13.7576","0.0019","34.499","0.004","90","","90","","90","","5547.1","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H47 O4 P Si2 -","- C63 H47 O4 P Si2 -","- C252 H188 O16 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","1.54178","CuKα","","0.0678","0.0597","","","0.1597","0.1652","","","","","","1.269","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"1548338","38.527","0.002","38.527","0.002","38.527","0.002","90","","90","","90","","57187","5","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C108 H36 Cd6 Cl3 N24 O48 -","- C108 H36 Cd6 Cl3 N24 O48 -","- C864 H288 Cd48 Cl24 N192 O384 -","8","0.0416667","","Chun-Yi Sun; Xin-Long Wang; Xiao Zhang; Chao Qin; Peng Li; Zhong-Min Su; Dong-Xia Zhu; Guo-Gang Shan; Kui-Zhan Shao; Han Wu; Jing Li","Efficient and tunable white-light emission of metal-organic frameworks by iridium-complex encapsulation","Nature Communications","2013","3","","2717","","10.1038/ncomms3717","","","0.71073","MoKα","","0.0908","0.0776","","","0.2192","0.2339","","","","","","1.042","","","","has coordinates,has disorder","203823","2020-10-21","18:00:00",""
"1548339","9.2188","0.0009","28.76","0.003","9.2188","0.0009","90","","112.73","","90","","2254.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H27 Al2 N2 O15 P3 -","- C10 H27 Al2 N2 O15 P3 -","- C40 H108 Al8 N8 O60 P12 -","4","1","","Jiancong Liu; Ning Wang; Yue Yu; Yan Yan; Hongyue Zhang; Jiyang Li; Jihong Yu","Carbon dots in zeolites: A new class of thermally activated delayed fluorescence materials with ultralong lifetimes","Science Advances","2017","3","","1603171","","10.1126/sciadv.1603171","","","0.71073","MoKα","","0.1012","0.0784","","","0.2103","0.2295","","","","","","0.956","","","","has coordinates","203824","2020-10-21","18:00:00",""
"1548604","19.957","0.004","9.858","0.002","15.78","0.003","90","","99.02","0.03","90","","3066.1","1.1","","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O7 -","- C12 N2 O7 -","- C96 N16 O56 -","8","1","","Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang","Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations","Scientific Reports","2013","3","","1058","","10.1038/srep01058","","x-ray","0.71073","MoKα","","0.0941","0.0862","","","0.2161","0.222","","","","","","1.215","","","","has coordinates","204751","2020-10-21","18:00:00",""
"1548605","8.6838","0.0017","8.8343","0.0018","10.114","0.002","80.33","0.03","72.94","0.03","67.07","0.03","681.9","0.3","","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 N2 O6 -","- C11 N2 O6 -","- C22 N4 O12 -","2","1","","Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang","Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations","Scientific Reports","2013","3","","1058","","10.1038/srep01058","","x-ray","0.71073","MoKα","","0.0736","0.0653","","","0.1665","0.1736","","","","","","1.157","","","","has coordinates","204752","2020-10-21","18:00:00",""
"1548666","12.589","0.007","12.589","0.007","13.689","0.007","90","","90","","90","","2169","2","223","2","223","2","","","","","","","","6","I -4","I -4","82","","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","","- C36 H56 Fe O4 P Si4 -","- C36 H56 Fe O4 P Si4 -","- C72 H112 Fe2 O8 P2 Si8 -","2","0.25","SJ4151","Hay, Michael T.; Yennawar, Hemant P.","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","IUCrData","2018","3","1","x171823","","10.1107/S2414314617018235","","","0.71073","MoKα","","0.044","0.0361","","","0.075","0.078","","","","","","0.916","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548667","28.1477","0.0008","17.3385","0.0007","26.1837","0.001","90","","90","","90","","12778.7","0.8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","","- C17 H10 Cl4 O -","- C17 H10 Cl4 O -","- C544 H320 Cl128 O32 -","32","2","HG4033","Dravida Thendral, Era; Mohamooda Sumaya, U.; Gomathi, S.; Biruntha, K.; Usha, G.","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","IUCrData","2018","3","1","x171822","","10.1107/S2414314617018223","","","0.71073","MoKα","","0.0637","0.04","","","0.0752","0.0854","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205175","2020-10-21","18:00:00",""
"1548668","11.9896","0.0009","18.4215","0.0013","10.9903","0.001","90","","110.153","0.009","90","","2278.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline","","- C26 H27 N5 O -","- C26 H27 N5 O -","- C104 H108 N20 O4 -","4","1","","Singh, Vikram. D.; Anthal, Sumati; Desai, N. R.; Arunakumar, D. B.; Sreenivasa, S.; Kamni; Kant, Rajni","3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline","IUCrData","2018","3","1","x180030","","10.1107/S2414314618000305","","","0.71073","MoKα","","0.137","0.0635","","","0.1272","0.1649","","","","","","1.003","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548669","5.6487","0.0003","16.7479","0.0011","16.9726","0.0014","90","","90","","90","","1605.67","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","","- C15 H16 N4 O3 S -","- C15 H16 N4 O3 S -","- C60 H64 N16 O12 S4 -","4","1","HB4198","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","IUCrData","2018","3","1","x171852","","10.1107/S2414314617018521","","","0.71073","MoKα","","0.0697","0.0477","","","0.1135","0.1297","","","","","","1.072","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548670","32.387","0.003","9.8559","0.0015","5.0043","0.0008","90","","90","","90","","1597.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","HB4196","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","IUCrData","2018","3","1","x171840","","10.1107/S2414314617018405","","","0.71073","MoKα","","0.0764","0.0545","","","0.1369","0.1493","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:54",""
"1548671","10.422","0.0007","13.4232","0.0005","23.8943","0.0014","90","","90.198","0.006","90","","3342.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)thiazole","","- C37 H28 Br Cl N8 S -","- C37 H28 Br Cl N8 S -","- C148 H112 Br4 Cl4 N32 S4 -","4","1","XU4033","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)thiazole","IUCrData","2018","3","1","x180036","","10.1107/S2414314618000366","","","0.71073","MoKα","","0.1355","0.0625","","","0.147","0.1833","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548672","8.5395","0.0013","8.9377","0.0013","23.444","0.004","90","","91.066","0.002","90","","1789","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","2","VM4032","Guerrab, Walid; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x180057","","10.1107/S2414314618000573","","","0.71073","MoKα","","0.0549","0.0444","","","0.1075","0.1119","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548673","8.492","0.0004","8.5213","0.0004","12.6353","0.0006","91.9","0.001","99.41","0.001","115.117","0.001","811.33","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Butyl-5,5-diphenylimidazolidine-2,4-dione","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","ZQ4026","Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef","3-Butyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x180050","","10.1107/S2414314618000500","","","0.71073","MoKα","","0.0467","0.041","","","0.117","0.1202","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548674","8.8897","0.0005","13.2911","0.0007","16.6864","0.0009","67.9","0.001","81.027","0.001","74.294","0.001","1755.27","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Benzyl-5,5-diphenylimidazolidine-2,4-dione","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","2","VM4031","Guerrab, Walid; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef","3-Benzyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x171832","","10.1107/S2414314617018326","","","0.71073","MoKα","","0.0613","0.0469","","","0.1224","0.1293","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548675","4.0047","0.0002","13.2585","0.0008","7.3356","0.0004","90","","97.44","0.003","90","","386.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","I","3,5-Dibromobenzonitrile","","- C7 H3 Br2 N -","- C7 H3 Br2 N -","- C14 H6 Br4 N2 -","2","0.5","SJ4154","Noland, Wayland E.; Tritch, Kenneth J.","3,5-Dibromobenzonitrile","IUCrData","2018","3","1","x180059","","10.1107/S2414314618000597","","","0.71073","MoKα","","0.0306","0.0244","","","0.0562","0.058","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548676","4.7215","0.0004","10.0181","0.0009","8.7689","0.0008","90","","93.023","0.004","90","","414.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RNC","2,6-Dibromo-4-chlorophenyl isocyanide","","- C7 H2 Br2 Cl N -","- C7 H2 Br2 Cl N -","- C14 H4 Br4 Cl2 N2 -","2","0.5","SJ4150","Noland, Wayland E.; Tritch, Kenneth J.","2,6-Dibromo-4-chlorophenyl isocyanide","IUCrData","2018","3","1","x171819","","10.1107/S2414314617018193","","","0.71073","MoKα","","0.0233","0.0206","","","0.0484","0.05","","","","","","1.083","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548677","5.9238","0.0014","9.735","0.002","22.444","0.008","90","","90","","90","","1294.3","0.6","176","2","176","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-4-nitropyridine <i>N</i>-oxide","","- C5 H3 Cl N2 O3 -","- C5 H3 Cl N2 O3 -","- C40 H24 Cl8 N16 O24 -","8","1","TK4042","Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W.","2-Chloro-4-nitropyridine <i>N</i>-oxide","IUCrData","2018","3","1","x180016","","10.1107/S2414314618000160","","","0.71073","MoKα","","0.0718","0.0496","","","0.1204","0.1316","","","","","","1.064","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548678","8.0762","0.0004","6.2486","0.0004","14.5096","0.001","90","","92.161","0.002","90","","731.71","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","","- C11 H19 N O7 S -","- C11 H19 N O7 S -","- C22 H38 N2 O14 S2 -","2","1","TK4043","Prabu, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","IUCrData","2018","3","1","x171848","","10.1107/S241431461701848X","","","0.71073","MoKα","","0.0559","0.0371","","","0.0728","0.0811","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548679","12.2617","0.0007","8.0222","0.0004","12.7397","0.0007","90","","112.38","0.006","90","","1158.76","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea","","- C10 H13 Br N2 S -","- C10 H13 Br N2 S -","- C40 H52 Br4 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea","IUCrData","2018","3","1","x180045","","10.1107/S2414314618000457","","","1.54184","CuKα","","0.0435","0.0377","","","0.1082","0.1153","","","","","","1.057","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548680","9.1617","0.0002","10.2307","0.0003","16.8581","0.0005","90","","92.812","0.003","90","","1578.22","0.07","291","2","291.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Benzoyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","","- C19 H14 O5 -","- C19 H14 O5 -","- C76 H56 O20 -","4","1","HB4199","Cao, Yi; Mai, Wenpeng; Yuan, Jinwei","3-Benzoyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","IUCrData","2018","3","1","x180015","","10.1107/S2414314618000159","","","1.54184","CuKα","","0.0563","0.0484","","","0.1288","0.1381","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548681","4.6637","0.0003","9.4598","0.0006","11.9898","0.0007","111.639","0.005","101.035","0.005","93.712","0.005","477.25","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate","","- C8 H7 Br Cl N O2 -","- C8 H7 Br Cl N O2 -","- C16 H14 Br2 Cl2 N2 O4 -","2","1","SJ4153","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate","IUCrData","2018","3","1","x180054","","10.1107/S2414314618000548","","","1.54184","CuKα","","0.0248","0.0239","","","0.0627","0.0633","","","","","","1.076","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548682","8.1891","0.0004","14.1804","0.0006","14.505","0.0006","68.075","0.004","84.22","0.004","74.627","0.004","1506.65","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","","- C18 H13 F2 N3 O -","- C18 H13 F2 N3 O -","- C72 H52 F8 N12 O4 -","4","2","HB4197","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","IUCrData","2018","3","1","x171841","","10.1107/S2414314617018417","","","0.71073","MoKα","","0.0863","0.0526","","","0.1202","0.1409","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548683","7.6756","0.0002","13.6762","0.0003","17.6561","0.0004","90","","110.442","0.002","90","","1736.7","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine- 2,4-dione","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","ZQ4025","Balakumaran, K.; Mosesbabu, J.; Anireddy, Jayashree; Chakkaravarthi, G.","(<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine-2,4-dione","IUCrData","2018","3","1","x171839","","10.1107/S2414314617018399","","","1.54184","CuKα","","0.0461","0.0404","","","0.1092","0.1152","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548684","7.5971","0.0004","9.9501","0.0005","28.569","0.0013","90","","95.086","0.002","90","","2151.08","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C80 H64 Br8 N24 O16 -","8","2","HB4194","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2018","3","1","x171837","","10.1107/S2414314617018375","","","1.54178","CuKα","","0.0852","0.0792","","","0.2135","0.2174","","","","","","1.191","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548685","9.8152","0.0003","10.0783","0.0002","22.512","0.0007","90","","90","","90","","2226.9","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C80 H88 F24 N16 O8 -","8","1","HB4201","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","IUCrData","2018","3","1","x180040","","10.1107/S2414314618000408","","","1.54184","CuKα","","0.0563","0.0435","","","0.1281","0.1393","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:54",""
"1548726","11.172","0.007","8.532","0.005","16.287","0.014","90","","106.54","0.03","90","","1488.2","1.8","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(-2-Isopropyl-4,7-dimethyl-3-nitronaphthalen-1-yl)ethanone","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","1-(2-Isopropyl-4,7-dimethyl-3-nitronaphthalen-1-yl)ethanone","IUCrData","2018","3","1","x180083","","10.1107/S2414314618000834","","","0.71073","MoKα","","0.0459","0.0415","","","0.1222","0.1266","","","","","","1.081","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548727","7.57","0.002","10.206","0.003","11.549","0.004","113.4","0.002","90.01","0.003","108.607","0.003","767.8","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","Bis(4,6-dimethyldibenzothiophene) 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane","Bis[6,10-dimethyl-8-thiatricyclo[7.4.0.0^2,7^]trideca-1(9),2,4,6,10,12-hexaene] 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile","","- C40 H24 F4 N4 S2 -","- C40 H24 F4 N4 S2 -","- C40 H24 F4 N4 S2 -","1","0.5","IS4022","Fujii, Takuya; Yamakado, Hideo","The 2:1 charge-transfer complex of 4,6-dimethyldibenzothiophene and 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane","IUCrData","2018","3","1","x180077","","10.1107/S2414314618000779","","","0.71075","MoKα","","0.041","0.0345","","","0.0871","0.0914","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548728","3.7363","0.0002","7.0071","0.0003","12.5877","0.0006","90","","94.8144","0.0016","90","","328.39","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","meta-nitrobenzaldehyde m-nitrobenzaldehyde","3-Nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H5 N O3 -","- C14 H10 N2 O6 -","2","1","HB4202","Engwerda, Antonius H.J.; Brugman, Sander J.T.; Tinnemans, Paul; Vlieg, Elias","3-Nitrobenzaldehyde","IUCrData","2018","3","1","x180092","","10.1107/S2414314618000925","","","0.71073","MoKα","","0.0337","0.0299","","","0.0863","0.089","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548729","18.3427","0.0014","13.5855","0.001","16.9385","0.0012","90","","110.393","0.009","90","","3956.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate","","- C71 H71 N33 O S8 -","- C71 H71 N33 O S8 -","- C142 H142 N66 O2 S16 -","2","0.5","HB4203","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate","IUCrData","2018","3","1","x180087","","10.1107/S2414314618000871","","","0.71073","MoKα","","0.124","0.0639","","","0.1459","0.181","","","","","","1.042","","","","has coordinates,has Fobs","205436","2020-10-21","18:00:00",""
"1548730","15.0387","0.0012","6.8105","0.0003","24.385","0.002","90","","106.473","0.008","90","","2395","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C27 H20 Br N5 O -","- C27 H20 Br N5 O -","- C108 H80 Br4 N20 O4 -","4","1","ZL4022","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","IUCrData","2018","3","1","x180069","","10.1107/S241431461800069X","","","0.71073","MoKα","","0.1264","0.0566","","","0.1492","0.1878","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:54",""
"1548731","10.4355","0.0004","8.6955","0.0004","25.7106","0.0009","90","","95.42","0.003","90","","2322.6","0.16","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(3-Oxo-3-phenylprop-1-enyl)thiophene-3-carbaldehyde","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C112 H80 O16 S8 -","8","2","BX4009","Elumalai, K.; Raja, R.; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.; Murugesan, K. Sakthi","(<i>E</i>)-2-(3-Oxo-3-phenylprop-1-enyl)thiophene-3-carbaldehyde","IUCrData","2018","3","1","x180041","","10.1107/S241431461800041X","","","0.71073","MoKα","","0.0614","0.042","","","0.1052","0.116","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:54",""
"1548830","8.7208","0.0004","8.7703","0.0003","9.6278","0.0004","86.035","0.003","80.227","0.003","79.352","0.002","712.65","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenyl)-3-(2<i>H</i>-chromen-3-yl)-1,2,4-oxadiazole","","- C17 H11 Cl N2 O2 -","- C17 H11 Cl N2 O2 -","- C34 H22 Cl2 N4 O4 -","2","1","SJ4155","Baral, Nilofar; Nayak, Sabita; Pal, Satyanarayan; Mohapatra, Seetaram","5-(2-Chlorophenyl)-3-(2<i>H</i>-chromen-3-yl)-1,2,4-oxadiazole","IUCrData","2018","3","1","x180129","","10.1107/S2414314618001293","","","0.71073","MoKα","","0.0684","0.0457","","","0.1222","0.1344","","","","","","1.11","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548831","6.36","0.0002","11.0807","0.0004","11.5351","0.0004","114.539","0.004","91.465","0.003","93.401","0.003","737.06","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","7-Hydroxyhexacyclo[7.5.1.0^1,7^.0^6,13^.0^8,12^.0^10,14^]pentadecan-15-one-11-spirocyclopentane","","- C19 H24 O2 -","- C19 H24 O2 -","- C38 H48 O4 -","2","1","BH4032","Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama","7-Hydroxyhexacyclo[7.5.1.0^1,7^.0^6,13^.0^8,12^.0^10,14^]pentadecan-15-one-11-spirocyclopentane","IUCrData","2018","3","1","x180090","","10.1107/S2414314618000901","","","0.71073","MoKα","","0.0519","0.0439","","","0.1085","0.1144","","","","","","1.106","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548832","20.8533","0.0008","9.9698","0.0003","23.4151","0.0008","90","","90","","90","","4868.1","0.3","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","","- C14 H8 N2 S Se -","- C14 H8 N2 S Se -","- C224 H128 N32 S16 Se16 -","16","4","WM4065","Schollmeyer, Dieter; Detert, Heiner","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","IUCrData","2018","3","1","x180070","","10.1107/S2414314618000706","","","0.71073","MoKα","","0.1285","0.08","","","0.1576","0.189","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548840","12.8152","0.0003","6.29489","0.00013","18.9482","0.0004","90","","108.347","0.0012","90","","1450.85","0.06","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","α-<i>D</i>,<i>L</i>-Sorbose","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","IS4024","Taguchi, Hiroaki; Sogo, Kouta; Ishii, Tomohiko; Yoshihara, Akihide; Fukada, Kazuhiro","α-<small>D</small>,<small>L</small>-Sorbose","IUCrData","2018","3","1","x180114","","10.1107/S2414314618001141","","","1.54187","CuKα","","0.0541","0.0442","","","0.1128","0.1203","","","","","","1.08","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548841","15.1185","0.0014","11.0273","0.0009","24.141","0.002","90","","90","","90","","4024.7","0.6","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","IS5489","Kalaivanan, R.; Sughanya, V.; Sureshbabu, N.","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","IUCrData","2018","3","1","x180105","","10.1107/S2414314618001050","","","0.71073","MoKα","","0.1112","0.0409","","","0.0943","0.14","","","","","","1.116","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548842","19.2666","0.001","9.7769","0.0004","20.3265","0.0012","90","","94.423","0.005","90","","3817.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile","","- C23 H15 N3 O S -","- C23 H15 N3 O S -","- C184 H120 N24 O8 S8 -","8","2","IS4023","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile","IUCrData","2018","3","1","x180171","","10.1107/S2414314618001712","","","0.71073","MoKα","","0.1263","0.057","","","0.1246","0.1669","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:55",""
"1548843","4.489","0.0019","19.77","0.008","13.308","0.006","90","","93.608","0.006","90","","1178.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-6-nitro-2<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","HB4206","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","2-Benzyl-6-nitro-2<i>H</i>-indazole","IUCrData","2018","3","1","x180151","","10.1107/S2414314618001517","","","0.71073","MoKα","","0.0826","0.0594","","","0.1426","0.1498","","","","","","0.959","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:55",""
"1548889","22.2914","0.0008","14.1339","0.0003","23.1869","0.0008","90","","115.732","0.002","90","","6580.9","0.4","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","4,9,14-Trichloro-1,3,5,6,8,10,11,13,15-nonaazatetracyclo\ [10.3.0.0^2,6^.0^7,11^]pentadeca-2,4,7,9,12,14-hexaene","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","","- C6 Cl3 N9 -","- C6 Cl3 N9 -","- C144 Cl72 N216 -","24","3","WM4072","Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","IUCrData","2018","3","2","x180212","","10.1107/S2414314618002122","","","0.71069","MoKα","","0.0419","0.0331","","","0.0794","0.0861","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1548890","9.1066","0.0004","19.6406","0.0009","11.2901","0.0005","90","","94.343","0.004","90","","2013.54","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","FF4023","Tamam, Asmaa H. A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hussain, Faiq H. S.","2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","IUCrData","2018","3","2","x180167","","10.1107/S2414314618001670","","","1.54184","CuKα","","0.0682","0.0505","","","0.137","0.149","","","","","","1.052","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548891","9.1084","0.0008","10.8314","0.0009","17.2226","0.0014","90","","94.06","0.003","90","","1694.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(N<i>Z</i>)-<i>N</i>-[(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)methylidene]- <i>N</i>- oxidoanilinium","(<i>Z</i>)-1-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-<i>N</i>-phenylmethanimine <i>N</i>-oxide","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","HB4209","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Said, Awad I.; Hawaiz, Farouq E.; Elgarhy, Sahar M. I.","(<i>Z</i>)-1-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-<i>N</i>-phenylmethanimine <i>N</i>-oxide","IUCrData","2018","3","2","x180208","","10.1107/S2414314618002080","","","1.54178","CuKα","","0.0372","0.0346","","","0.0844","0.0864","","","","","","1.055","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548892","5.1574","0.0006","17.413","0.002","5.1107","0.0007","90","","100.357","0.004","90","","451.49","0.1","293","2","293","2","","","","","","","","2","C 1 m 1","C -2y","8","","Tetraaluminium chromium","","- Al4 Cr -","- Al4 Cr -","- Al24 Cr6 -","6","1.5","WM4068","Fan, Changzeng; Liu, Cong","Crystal structure of ω-Al~4~Cr","IUCrData","2018","3","2","x180216","","10.1107/S241431461800216X","","","0.71073","MoKα","","0.0721","0.0466","","","0.0833","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","206304","2020-10-21","18:00:00",""
"1548930","25.289","0.005","10.076","0.002","19.05","0.004","90","0.03","98.89","0.03","90","0.03","4795.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6'-(3-Bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]","6'-(3-bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'H-spiro [indeno[1,2-b]quinoxaline-11,5'-pyrrolo[1,2-c]thiazole]","","- C26 H19 Br N4 O2 S -","- C26 H19 Br N4 O2 S -","- C208 H152 Br8 N32 O16 S8 -","8","1","SJ4157","Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Krishnakumar, R. V.","6'-(3-Bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]","IUCrData","2018","3","2","x180238","","10.1107/S2414314618002389","","","0.71073","MoKα","","0.0523","0.0453","","","0.1151","0.1208","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1548931","7.6981","0.0002","7.6981","0.0002","7.6231","0.0002","90","","90","","120","","391.227","0.018","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Decaaluminium trinickel iron","","- Al10 Fe0.83 Ni3 -","- Al10 Fe0.834 Ni3 -","- Al20 Fe1.668 Ni6 -","2","0.0833333","WM4071","Wang, Sai; Liu, Cong; Fan, Changzeng","Al~10~Ni~3~Fe~0.83~, an Fe-depleted phase in the Al‒Ni‒Fe system","IUCrData","2018","3","2","x180237","","10.1107/S2414314618002377","","","1.54178","CuKα","","0.0292","0.0288","","","0.089","0.0897","","","","","","1.085","","","","has coordinates,has Fobs","206485","2020-10-21","18:00:00",""
"1548932","10.073","0.003","10.37","0.003","10.547","0.003","105.029","0.002","115.48","0.005","90.3532","0.0015","951.7","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine","","- C19 H17 Cl2 N S Si -","- C19 H17 Cl2 N S Si -","- C38 H34 Cl4 N2 S2 Si2 -","2","1","FF4024","Umezono, Satoru; Okuno, Tsunehisa","10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine","IUCrData","2018","3","2","x180232","","10.1107/S2414314618002328","","","0.71075","MoKα","","0.0386","0.0299","","","0.0698","0.0745","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548972","30.7456","0.0018","5.0266","0.0003","12.0636","0.0007","90","","98.43","0.002","90","","1844.24","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-Methylphenyl)methanaminium bromide hemihydrate","","- C8 H13 Br N O0.5 -","- C8 H13 Br N O0.5 -","- C64 H104 Br8 N8 O4 -","8","1","HB4211","Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C.","(4-Methylphenyl)methanaminium bromide hemihydrate","IUCrData","2018","3","2","x180270","","10.1107/S2414314618002705","","","0.71073","MoKα","","0.0365","0.0282","","","0.0631","0.0672","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548973","4.7121","0.0009","18.752","0.004","13.856","0.003","90","","92.379","0.005","90","","1223.3","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-(1,2,2-triiodovinyl)benzoic acid","3-(1,2,2-Triiodoethenyl)benzoic acid","","- C9 H5 I3 O2 -","- C9 H5 I3 O2 -","- C36 H20 I12 O8 -","4","1","LH4031","Szell, Patrick M.J.; Gabidullin, Bulat; Bryce, David L.","3-(1,2,2-Triiodoethenyl)benzoic acid","IUCrData","2018","3","2","x180258","","10.1107/S2414314618002584","","","0.71073","MoKα","","0.1265","0.0404","","","0.0595","0.0778","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1548985","34.0146","0.0011","4.9522","0.0002","23.4539","0.0007","90","","111.578","0.001","90","","3673.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate","","- C22 H16 Br N3 O3 -","- C22 H16 Br N3 O3 -","- C176 H128 Br8 N24 O24 -","8","1","SJ4158","Filali Baba, Yassir; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","(Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate","IUCrData","2018","3","2","x180288","","10.1107/S2414314618002882","","","1.54178","CuKα","","0.0458","0.0366","","","0.0868","0.0922","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548986","8.1833","0.0002","15.4412","0.0004","15.525","0.0004","110.657","0.001","104.919","0.001","90.516","0.001","1762.9","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Bis(2-formylphenyl) benzene-1,2-dicarboxylate","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","2","IS4025","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Ayoob, Mzgin M.; Hussein, Awaz J.","Bis(2-formylphenyl) benzene-1,2-dicarboxylate","IUCrData","2018","3","2","x180251","","10.1107/S2414314618002511","","","1.54178","CuKα","","0.0872","0.0537","","","0.131","0.153","","","","","","1.028","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548987","10.1922","0.0005","17.347","0.001","7.0216","0.0004","90","","92.382","0.005","90","","1240.37","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-1,4-bis(prop-2-ynyl)pyrido[2,3-<i>b</i>]pyrazine-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C13 H8 Br N3 O2 -","- C13 H8 Br N3 O2 -","- C52 H32 Br4 N12 O8 -","4","1","HB4210","Sikine, Meriem; Kandri Rodi, Youssef; Ouzidan, Younes; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","7-Bromo-1,4-bis(prop-2-ynyl)pyrido[2,3-<i>b</i>]pyrazine-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2018","3","2","x180266","","10.1107/S2414314618002663","","","1.54184","CuKα","","0.0441","0.0359","","","0.0935","0.1009","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1548988","29.001","0.01","4.8412","0.0019","20.474","0.009","90","","113.16","0.02","90","","2642.9","1.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methyl-1-(nitromethyl)-4-(propan-2-yl)naphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","1","","Dakir, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","6-Methyl-1-(nitromethyl)-4-(propan-2-yl)naphthalene","IUCrData","2018","3","2","x180274","","10.1107/S2414314618002742","","","0.71073","MoKα","","0.0539","0.0486","","","0.1278","0.1315","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549006","8.9229","0.0005","18.8922","0.001","9.7147","0.0005","90","","104.879","0.001","90","","1582.73","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","HB4207","Samba, Mohamed; Minnih, Mohamed Said; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","A monoclinic modification of (4<i>Z</i>)-1-benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2018","3","2","x180326","","10.1107/S2414314618003267","","","0.71073","MoKα","","0.0476","0.043","","","0.115","0.1196","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549007","10.4838","0.0007","6.8965","0.0005","12.8538","0.0009","90","","90","","90","","929.35","0.11","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-amino-4,5-dimethylacetophenone","1-(2-Amino-4,5-dimethylphenyl)ethanone","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","0.5","SJ4164","Bosch, Eric; Jeffries, Laura","1-(2-Amino-4,5-dimethylphenyl)ethanone","IUCrData","2018","3","2","x180313","","10.1107/S2414314618003139","","","0.71073","MoKα","","0.0522","0.0399","","","0.1047","0.1162","","","","","","1.087","","","","has coordinates,has Fobs","206722","2020-10-21","18:00:00",""
"1549019","11.232","0.002","12.283","0.003","4.401","0.001","90","","90","","90","","607.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,2'-(Disulfanediyl)bis(pyridine <i>N</i>-oxide)–hydrogen peroxide (1/1)","","- C10 H10 N2 O4 S2 -","- C10 H10 N2 O4 S2 -","- C20 H20 N4 O8 S4 -","2","0.5","HB4208","Lynch, Will; Padgett, Clifford W.","2,2′-Disulfanediylbis(pyridine N-oxide)–hydrogen peroxide (1/1)","IUCrData","2018","3","3","x180320","","10.1107/S2414314618003206","","","0.71075","MoKα","","0.0256","0.024","","","0.0584","0.059","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549037","7.3502","0.0004","17.3508","0.001","17.9449","0.001","118.226","0.001","100.042","0.001","92.294","0.001","1965.63","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-methyl-quinoxalin-2(1<i>H</i>)-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C96 H84 N12 O6 -","6","3","SJ4167","Ramli, Youssef; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-3-methylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","3","x180390","","10.1107/S2414314618003905","","","0.71073","MoKα","","0.0584","0.0446","","","0.1178","0.1241","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549038","10.561","0.006","5.156","0.003","12.504","0.007","90","","90.606","0.009","90","","680.8","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-[(4-Fluorophenyl)(methyl)amino]-3,4,5,6-tetrahydroxyhexan-2-one","1-Deoxy-1-(<i>N</i>-methyl-4-fluorophenylamino)-<i>D</i>-<i>arabino</i>-hexulose","","- C13 H18 F N O5 -","- C13 H18 F N O5 -","- C26 H36 F2 N2 O10 -","2","1","LH4033","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","1-Deoxy-1-(<i>N</i>-methyl-4-fluorophenylamino)-<small>D</small>-<i>arabino</i>-hexulose","IUCrData","2018","3","3","x180369","","10.1107/S2414314618003693","","","0.71073","MoKα","","0.0934","0.0421","","","0.0864","0.1003","","","","","","0.949","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549065","16.7219","0.0003","6.90389","0.00013","23.0811","0.0004","90","","99.502","0.007","90","","2628.07","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","","- C14 H11 Br2 N O2 -","- C14 H11 Br2 N O2 -","- C112 H88 Br16 N8 O16 -","8","2","IS4026","Pal, Tarun Kumar; Hossain, Md Dulal; Sheikh, Md Chanmiya; Miyatake, Ryuta; Alam, Md Ashraful","2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","IUCrData","2018","3","3","x180388","","10.1107/S2414314618003887","","","1.54187","CuKα","","0.0322","0.0293","","","0.073","0.0743","","","","","","1.077","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549066","29.5823","0.001","15.1971","0.0008","7.4303","0.0002","90","","90","","90","","3340.4","0.2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide","","- C15 H21 N3 O2 S -","- C15 H21 N3 O2 S -","- C120 H168 N24 O16 S8 -","8","1","SU5423","Chaurasia, Rahul; Bharti, Akhilesh; Butcher, Ray J.; Wikaira, Jan L.; Bharty, Manoj K.","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent","IUCrData","2018","3","3","x180383","","10.1107/S2414314618003838","","","0.71073","MoKα","","0.081","0.0512","","","0.1222","0.1412","","","","","","1.005","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549074","15.116","0.0014","6.8728","0.0006","12.7492","0.0011","90","","90","","90","","1324.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","5-Bromo-1-(4-bromophenyl)isatin","5-Bromo-1-(4-bromophenyl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C14 H7 Br2 N O2 -","- C14 H7 Br2 N O2 -","- C56 H28 Br8 N4 O8 -","4","0.5","HB4216","El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kille, Peter; Kariuki, Benson M.","5-Bromo-1-(4-bromophenyl)isatin","IUCrData","2018","3","3","x180426","","10.1107/S2414314618004261","","","0.71073","MoKα","","0.0775","0.0407","","","0.0789","0.0963","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549075","6.2938","0.0005","10.9254","0.0009","31.229","0.004","90","","90.221","0.008","90","","2147.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C96 H88 N16 O8 S4 -","4","1","HB4214","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone","IUCrData","2018","3","3","x180402","","10.1107/S2414314618004029","","","0.71073","MoKα","","0.1285","0.0607","","","0.1208","0.15","","","","","","1.033","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549076","61.5399","0.0018","11.8988","0.0004","8.2661","0.0003","90","","93.301","0.003","90","","6042.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Methyl-<i>N</i>'-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbonyl)-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C240 H216 N96 O24 -","12","1.5","HB4215","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-<i>N</i>'-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbonyl)-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2018","3","3","x180424","","10.1107/S2414314618004248","","","0.71073","MoKα","","0.0778","0.0522","","","0.1437","0.1621","","","","","","1.056","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549125","4.0205","0.0011","11.316","0.003","13.781","0.004","85.067","0.009","88.517","0.009","84.335","0.006","621.5","0.3","93","","93","","","","","","","","","4","P -1","-P 1","2","","5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","XU4034","Umezono, Satoru; Okuno, Tsunehisa","5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol","IUCrData","2018","3","3","x180454","","10.1107/S2414314618004546","","","0.71075","MoKα","","0.0472","0.0376","","","0.097","0.1039","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549126","15.6203","0.0019","8.6349","0.0011","13.9758","0.0017","90","","108.948","0.002","90","","1782.9","0.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,4-Bis(4-methoxyphenyl)but-3-yn-2-yl](cyano)methylamine","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Yousufuddin, Muhammed; Morales, Ruth; Cassis, Waleed; Brown, Gary W.; Singh, Ravi P.; Lovely, Carl J.","[1,4-Bis(4-methoxyphenyl)but-3-yn-2-yl](cyano)methylamine","IUCrData","2018","3","3","x180389","","10.1107/S2414314618003899","","","0.71073","MoKα","","0.0756","0.0492","","","0.111","0.1238","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:06:56",""
"1549127","10.5058","0.0004","12.8929","0.0004","14.0425","0.0004","80.187","0.002","73.218","0.001","89.188","0.002","1793.17","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-Aminoanilinium benzene-1,2-diaminium tris(4-methylbenzene-1-sulfonate)","","- C33 H40 N4 O9 S3 -","- C33 H40 N4 O9 S3 -","- C66 H80 N8 O18 S6 -","2","1","VM4034","Amirthakumar, C.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G.","2-Aminoanilinium benzene-1,2-diaminium tris(4-methylbenzene-1-sulfonate)","IUCrData","2018","3","3","x180437","","10.1107/S2414314618004376","","","0.71073","MoKα","","0.0851","0.0426","","","0.0952","0.1172","","","","","","1.026","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549128","10.4422","0.0003","13.3065","0.0003","24.0683","0.0008","90","","90.181","0.003","90","","3344.25","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","","- C37 H28 Br Cl N8 S -","- C37 H28 Br Cl N8 S -","- C148 H112 Br4 Cl4 N32 S4 -","4","1","SJ4169","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","IUCrData","2018","3","3","x180443","","10.1107/S2414314618004431","","","1.54184","CuKα","","0.0575","0.0472","","","0.1268","0.1376","","","","","","1.05","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549129","8.5806","0.0004","7.0202","0.0003","9.2257","0.0004","90","","97.551","0.001","90","","550.91","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[diaquadi-μ-formato-nickel(II)]","","- C2 H6 Ni O6 -","- C2 H6 Ni O6 -","- C8 H24 Ni4 O24 -","4","1","HB4217","Weil, Matthias","Redetermination of nickel(II) formate dihydrate","IUCrData","2018","3","3","x180428","","10.1107/S2414314618004285","","","0.71073","MoKα","","0.0348","0.0211","","","0.0447","0.0487","","","","","","1.04","","","","has coordinates,has Fobs","207100","2020-10-21","18:00:00",""
"1549130","12.1967","0.0009","3.7559","0.0002","14.4539","0.001","90","","102.143","0.003","90","","647.31","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Fluoro-5-nitroaniline","","- C6 H5 F N2 O2 -","- C6 H5 F N2 O2 -","- C24 H20 F4 N8 O8 -","4","1","HB4212","Moorthy, K.; NizamMohideen, M.; Vetrivel, S.; Vinoth, E.; Arun, A.","2-Fluoro-5-nitroaniline","IUCrData","2018","3","3","x180425","","10.1107/S241431461800425X","","","0.71073","MoKα","","0.0695","0.038","","","0.0897","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549131","10.3624","0.0002","13.5082","0.0003","24.0262","0.0006","90","","90.457","0.002","90","","3363.02","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","","- C37 H28 Br2 N8 S -","- C37 H28 Br2 N8 S -","- C148 H112 Br8 N32 S4 -","4","1","HB4219","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","IUCrData","2018","3","3","x180449","","10.1107/S2414314618004492","","","1.54184","CuKα","","0.0674","0.0524","","","0.1461","0.1621","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549173","10.3353","0.0009","14.0058","0.0012","5.954","0.0004","90","","97.32","0.003","90","","854.84","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-1,2,3-selenadiazole","","- C8 H5 Cl N2 Se -","- C8 H5 Cl N2 Se -","- C32 H20 Cl4 N8 Se4 -","4","1","BV4014","Ravichandran, K.; Ranjith, S.; Sankari, S.; Beemarao, M.; Ponnuswamy, M. N.","4-(4-Chlorophenyl)-1,2,3-selenadiazole","IUCrData","2018","3","3","x180462","","10.1107/S2414314618004625","","","0.71073","MoKα","","0.0702","0.04","","","0.0693","0.0785","","","","","","1.074","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549174","4.6976","0.0004","19.3656","0.0018","12.3116","0.0012","90","","95.831","0.003","90","","1114.21","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","TK4048","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(<i>E</i>)-4-Methyl-2-(<i>N</i>-phenylcarboximidoyl)phenol","IUCrData","2018","3","3","x180464","","10.1107/S2414314618004649","","","0.71073","MoKα","","0.1205","0.0541","","","0.1238","0.169","","","","","","1.05","","","","has coordinates,has Fobs","207161","2020-10-21","18:00:00",""
"1549176","3.8342","0.0002","5.5701","0.0003","15.0346","0.0009","93.396","0.004","92.812","0.004","92.361","0.004","319.83","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C6 H6 N4 O -","- C6 H6 N4 O -","- C12 H12 N8 O2 -","2","1","HB4222","El Hafi, Mohamed; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","IUCrData","2018","3","3","x180483","","10.1107/S2414314618004832","","","1.54178","CuKα","","0.0492","0.0417","","","0.1012","0.108","","","","","","1.091","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549177","8.556","0.0017","8.982","0.0018","22.13","0.004","90","","98.28","0.03","90","","1683","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","1","HB4213","Wang, Jianwei; Yuan, Caixia","4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine","IUCrData","2018","3","3","x180492","","10.1107/S2414314618004923","","","0.71","synchrotron","","0.057","0.0529","","","0.1575","0.1614","","","","","","1.044","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:56",""
"1549178","8.0249","0.0002","27.32","0.0008","10.3546","0.0003","90","","97.101","0.001","90","","2252.73","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)","","- C17 H41 B Co N O P2 -","- C17 H41 B Co N O P2 -","- C68 H164 B4 Co4 N4 O4 P8 -","4","1","RZ4021","Junge, Kathrin; Cingolani, Andrea; Spannenberg, Anke; Beller, Matthias","{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)","IUCrData","2018","3","3","x180471","","10.1107/S2414314618004716","","","0.71073","MoKα","","0.0352","0.0301","","","0.072","0.0746","","","","","","1.08","","","","has coordinates,has Fobs","207195","2020-10-21","18:00:00",""
"1549340","13.1081","0.0013","11.1491","0.0013","7.1798","0.0011","90","","90","","90","","1049.3","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","","- C11 H6 F5 N O -","- C11 H6 F5 N O -","- C44 H24 F20 N4 O4 -","4","0.5","SJ4168","Zhao, Hui","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","IUCrData","2018","3","4","x180445","","10.1107/S2414314618004455","","","0.71073","MoKα","","0.1037","0.0786","","","0.2621","0.2924","","","","","","1.073","","","","has coordinates,has Fobs","207571","2020-10-21","18:00:00",""
"1549341","10.4026","0.0003","13.6115","0.0004","16.5769","0.0006","105.502","0.002","105.796","0.002","94.038","0.002","2150.3","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate","","- C56 H50 N2 -","- C56 H50 N2 -","- C112 H100 N4 -","2","1","SJ4173","Adas, Sonya K.; Peloquin, Andrew J.; Iacono, Scott T.; Balaich, Gary J.","9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate","IUCrData","2018","3","4","x180553","","10.1107/S2414314618005539","","","0.71073","MoKα","","0.0956","0.0529","","","0.1149","0.1403","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549342","15.8299","0.0008","10.627","0.0004","9.2041","0.0003","90","","98.084","0.004","90","","1532.97","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","","- C16 H19 N5 O -","- C16 H19 N5 O -","- C64 H76 N20 O4 -","4","1","SJ4170","Abad, Nadeem; Ramli, Youssef; Sebbar, Nada Kheira; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","4","x180482","","10.1107/S2414314618004820","","","1.54184","CuKα","","0.0715","0.053","","","0.1423","0.1566","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549343","7.9315","0.0005","8.2047","0.0005","12.3474","0.0008","108.513","0.006","98.09","0.005","103.805","0.005","719.18","0.09","150","","150","","","","","","","","","2","P -1","-P 1","2","","1,2-Bis(3,5-dimethylphenyl)ethane","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","1","HB4226","Brieger, Lukas; Unkelbach, Christian; Strohmann, Carsten","1,2-Bis(3,5-dimethylphenyl)ethane","IUCrData","2018","3","4","x180636","","10.1107/S2414314618006363","","","0.71073","MoKα","","0.0777","0.0569","","","0.1463","0.1605","","","","","","1.048","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549344","7.4526","0.0013","5.8441","0.001","16.278","0.003","90","","101.808","0.002","90","","694","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-di(4-bromophenyl)propane","1,3-Bis(4-bromophenyl)propane","","- C15 H14 Br2 -","- C15 H14 Br2 -","- C30 H28 Br4 -","2","1","BV4016","Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T.","1,3-Bis(4-bromophenyl)propane","IUCrData","2018","3","4","x180563","","10.1107/S2414314618005631","","","0.71073","MoKα","","0.0246","0.0231","","","0.0544","0.0548","","","","","","1.376","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549345","7.2162","0.0015","8.0068","0.0014","11.65","0.003","80.123","0.017","84.57","0.018","88.084","0.015","660.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C30 H24 Cl2 N2 O4 -","2","1","LH5867","Zhong, Ling; Shi, Jianyou; Zhong, Lei; Wei, Xin; Xhang, Hongjia; Cheng, Liang; Bai, Lan","2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one","IUCrData","2018","3","4","x180587","","10.1107/S2414314618005874","","","0.71073","MoKα","","0.0653","0.0461","","","0.1042","0.1183","","","","","","1.031","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549346","8.8546","0.0002","8.9841","0.0002","9.5523","0.0002","98.481","0.001","96.412","0.001","106.772","0.001","710","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","HB4224","El Foujji, Laila; Sebhaoui, Jihad; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","(3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2018","3","4","x180515","","10.1107/S2414314618005151","","","1.54178","CuKα","","0.0404","0.0369","","","0.0888","0.0914","","","","","","1.045","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549347","9.6483","0.0002","10.606","0.0003","13.4332","0.0004","90","","104.034","0.001","90","","1333.59","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-1,1-diphenylbut-2-yne","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","BH4034","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","1-Methoxy-1,1-diphenylbut-2-yne","IUCrData","2018","3","4","x180415","","10.1107/S2414314618004157","","","0.71073","MoKα","","0.0451","0.0396","","","0.1056","0.1119","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549348","18.2763","0.0006","7.5909","0.0002","20.0571","0.0006","90","","90","","90","","2782.59","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C104 H120 N40 O16 S8 -","8","1","IS4027","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","IUCrData","2018","3","4","x180600","","10.1107/S2414314618006004","","","0.71073","MoKα","","0.086","0.0417","","","0.0919","0.1104","","","","","","1.02","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549349","18.171","0.0005","4.9012","0.0001","16.9492","0.0005","90","","91.923","0.001","90","","1508.64","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","VM4035","Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate","IUCrData","2018","3","4","x180519","","10.1107/S2414314618005199","","","1.54178","CuKα","","0.0649","0.0464","","","0.1099","0.1208","","","","","","1.015","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549350","11.0729","0.0012","12.6284","0.0013","19.6141","0.0019","90","","90","","90","","2742.7","0.5","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","","- C27 H37 Cl N2 O4 -","- C27 H37 Cl N2 O4 -","- C108 H148 Cl4 N8 O16 -","4","0.5","HB4223","Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S.","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","IUCrData","2018","3","4","x180516","","10.1107/S2414314618005163","","","0.71073","MoKα","","0.0844","0.051","","","0.129","0.1497","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549351","4.8082","0.0018","8.26","0.003","14.413","0.006","84.072","0.007","81.473","0.005","85.14","0.005","561.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","ZQ4028","Abad, Nadeem; Sebhaoui, Jihad; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate","IUCrData","2018","3","4","x180596","","10.1107/S2414314618005965","","","0.71073","MoKα","","0.1185","0.0613","","","0.1842","0.2126","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:24",""
"1549352","12.1395","0.0006","13.8587","0.0007","17.366","0.0007","85.994","0.001","80.863","0.001","66.136","0.001","2637.9","0.2","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒triflate (1.2/1.8)","","- C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 -","- C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 -","- C95.6 H84 Au2 Co4 F25.2 Fe4 N12 O10.8 P2.4 S3.6 -","2","1","SJ4176","Vanicek, Stefan; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒trifluoromethanesulfonate (1.2/1.8)","IUCrData","2018","3","4","x180623","","10.1107/S2414314618006235","","","0.71073","MoKα","","0.0361","0.0319","","","0.0777","0.0798","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","207583","2020-10-21","18:00:00",""
"1549353","18.1419","0.0016","19.9967","0.0017","20.3048","0.0017","79.631","0.002","78.398","0.002","63.844","0.002","6441.7","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate","","- C21.2 H22.4 Cl6.4 Co3 -","- C21.2 H22.4 Cl6.4 Co3 -","- C212 H224 Cl64 Co30 -","10","5","PJ4006","Shaw, Michael J.; Xu, Nan; Caveny, Ian E.; Abucayon, Erwin G.; Ramuglia, Anthony R.; Richter-Addo, George B.","Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate","IUCrData","2018","3","4","x180552","","10.1107/S2414314618005527","","","0.71073","MoKα","","0.0678","0.0429","","","0.0828","0.0912","","","","","","0.99","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1549354","12.7853","0.0003","7.0167","0.0002","15.4215","0.0004","90","","95.718","0.001","90","","1376.59","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-[(Oxiran-2-yl)methyl]-3-phenylquinoxalin-2(1<i>H</i>)-one","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","HB4230","Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","IUCrData","2018","3","4","x180610","","10.1107/S2414314618006107","","","1.54178","CuKα","","0.0894","0.0623","","","0.1312","0.147","","","","","","1.041","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549355","9.4301","0.0005","9.4561","0.0005","24.8572","0.0012","90","","90","","90","","2216.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","","- C28 H20 Br2 O -","- C28 H20 Br2 O -","- C112 H80 Br8 O4 -","4","1","SJ4159","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","IUCrData","2018","3","4","x180416","","10.1107/S2414314618004169","","","0.71073","MoKα","","0.0267","0.0221","","","0.0458","0.0473","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549356","9.6505","0.0007","19.378","0.0013","15.1026","0.001","90","","97.849","0.001","90","","2797.8","0.3","100","0.2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(AsPh4)2ZrCl6","Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate","","- C56 H52 As2 Cl6 N4 Zr -","- C56 H52 As2 Cl6 N4 Zr -","- C112 H104 As4 Cl12 N8 Zr2 -","2","0.5","WM4070","Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic","Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate","IUCrData","2018","3","4","x180528","","10.1107/S241431461800528X","","","0.71073","MoKα","","0.0639","0.0369","","","0.0715","0.082","","","","","","1.004","","","","has coordinates,has Fobs","207587","2020-10-21","18:00:00",""
"1549358","11.0702","0.0005","26.0585","0.0013","7.7302","0.0003","90","","90","","90","","2229.95","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrabromidozincate","","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","- C64 H96 Br16 N8 Zn4 -","4","1","WM4078","Aarthi, Ramkumar; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(4-methylbenzylammonium) tetrabromidozincate","IUCrData","2018","3","5","x180648","","10.1107/S241431461800648X","","","0.71073","MoKα","","0.0807","0.074","","","0.1526","0.1557","","","","","","1.356","","","","has coordinates,has Fobs","207603","2020-10-21","18:00:00",""
"1549359","6.0999","0.0006","6.0999","0.0006","11.0509","0.0014","90","","90","","90","","411.19","0.08","100","2","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","Potassium Tetrafluorobromate","Potassium tetrafluoridobromate(III)","","- Br F4 K -","- Br F4 K -","- Br4 F16 K4 -","4","0.125","WM4077","Ivlev, Sergei I.; Kraus, Florian","Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data","IUCrData","2018","3","5","x180646","","10.1107/S2414314618006466","","","0.71073","MoKα","","0.0171","0.0153","","","0.0314","0.0322","","","","","","1.244","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:40",""
"1549381","12.8698","0.0006","8.1365","0.0003","13.0309","0.0006","90","","107.275","0.005","90","","1302.98","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one","","- C15 H11 N3 O4 -","- C15 H11 N3 O4 -","- C60 H44 N12 O16 -","4","1","ZP4015","AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one","IUCrData","2018","3","5","x180664","","10.1107/S2414314618006648","","","0.71073","MoKα","","0.0507","0.0423","","","0.1104","0.1178","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549393","8.6901","0.0005","10.1547","0.0005","12.6282","0.0007","71.352","0.004","84.442","0.004","81.817","0.004","1043.56","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1,1-Bis(diphenylphosphoryl)hydrazine","","- C24 H22 N2 O2 P2 -","- C24 H22 N2 O2 P2 -","- C48 H44 N4 O4 P4 -","2","1","RZ4023","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","1,1-Bis(diphenylphosphoryl)hydrazine","IUCrData","2018","3","5","x180679","","10.1107/S241431461800679X","","","0.71073","MoKα","","0.0359","0.0291","","","0.0786","0.0807","","","","","","1.053","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549394","28.061","0.0008","4.765","0.0001","15.3667","0.0004","90","","91.503","0.001","90","","2053.98","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","SJ4177","Abad, Nadeem; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate","IUCrData","2018","3","5","x180680","","10.1107/S2414314618006806","","","1.54178","CuKα","","0.0579","0.0419","","","0.0938","0.1023","","","","","","1.038","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549412","6.9048","0.0009","7.0555","0.0009","11.8449","0.0015","105.071","0.002","93.073","0.002","109.955","0.002","517.26","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]","","- C18 H16 Cu Na2 O16 -","- C18 H16 Cu Na2 O16 -","- C18 H16 Cu Na2 O16 -","1","0.5","LH4034","Yang, Annabeth P.; LaDuca, Robert L.","Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]: a novel 4,5,6-connected trinodal net","IUCrData","2018","3","5","x180676","","10.1107/S2414314618006764","","","0.71073","MoKα","","0.0493","0.0395","","","0.0929","0.099","","","","","","1.073","","","","has coordinates,has Fobs","207789","2020-10-21","18:00:00",""
"1549413","8.16","0.003","14.876","0.005","12.549","0.005","90","","93.192","0.009","90","","1520.9","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diisopropylammonium hydrogen phthalate","Diisopropylammonium hydrogen phthalate","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C56 H84 N4 O16 -","4","1","LH5874","Seye, Dame; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Geiger, David K.","Diisopropylammonium hydrogen phthalate","IUCrData","2018","3","5","x180704","","10.1107/S2414314618007046","","","0.71073","MoKa","","0.0702","0.0572","","","0.1492","0.164","","","","","","1.069","","","","has coordinates,has Fobs","207790","2020-10-21","18:00:00",""
"1549439","23.493","0.0015","11.9942","0.0008","21.8489","0.0014","90","","104.259","0.0019","90","","5966.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Cyclohex-1-enyl)cyclohexylamido]bis(dicyclohexylamido)[methyltris(pentafluorophenyl)borato]zirconium(IV) hexane monosolvate","","- C61 H81 B F15 N3 Zr -","- C61 H81 B F15 N3 Zr -","- C244 H324 B4 F60 N12 Zr4 -","4","1","WM4076","Frerichs, Nils; Adler, Christian; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of a zwitterionic azaallyl zirconiumamide complex bearing a Zr^+^-μ-CH~3~—B^{-^} moiety and one equivalent of <i>n</i>-hexane as a solvent","IUCrData","2018","3","5","x180644","","10.1107/S2414314618006442","","","0.71073","MoKα","","0.0466","0.0313","","","0.0765","0.0842","","","","","","1.037","","","","has coordinates,has Fobs","207906","2020-10-21","18:00:00",""
"1549440","9.8525","0.0004","10.6407","0.0006","19.272","0.0009","98.867","0.004","95.255","0.004","105.512","0.004","1904.76","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","4,5-Diferrocenyl-1,2-dithiol-3-one","","- C23 H18 Fe2 O S2 -","- C23 H18 Fe2 O S2 -","- C92 H72 Fe8 O4 S8 -","4","2","WM4074","Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","4,5-Diferrocenyl-1,2-dithiol-3-one","IUCrData","2018","3","5","x180685","","10.1107/S2414314618006855","","","0.71073","MoKα","","0.0761","0.0464","","","0.0949","0.1099","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","207907","2020-10-21","18:00:00",""
"1549494","7.286","0.002","17.379","0.005","12.95","0.003","90","","102.769","0.013","90","","1599.2","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (acetonitrile)trichloridopalladate(II)","","- C10 H23 Cl3 N2 Pd -","- C10 H23 Cl3 N2 Pd -","- C40 H92 Cl12 N8 Pd4 -","4","1","BT4069","Oberley, Alan J.; Kadel, Lava R.; Senaratne, Nilmini K.; Eichhorn, David M.","Tetraethylammonium (acetonitrile)trichloridopalladate(II)","IUCrData","2018","3","5","x180750","","10.1107/S2414314618007502","","","0.71073","MoKα","","0.0442","0.033","","","0.0852","0.0922","","","","","","1.063","","","","has coordinates,has Fobs","208078","2020-10-21","18:00:00",""
"1549518","6.7724","0.0013","7.1774","0.0014","26.793","0.005","90","","93.184","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","SJ4179","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","(<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine","IUCrData","2018","3","6","x180764","","10.1107/S2414314618007642","","","0.71073","MoKα","","0.0806","0.0535","","","0.1158","0.1324","","","","","","1.032","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549520","7.5867","0.0007","10.268","0.0007","11.4684","0.0008","95.592","0.004","102.147","0.004","109.987","0.003","806.72","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","SJ4180","Koh, Dongsoo; Lee, Ji Hye","4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine","IUCrData","2018","3","6","x180796","","10.1107/S2414314618007964","","","0.71073","MoKα","","0.0839","0.0457","","","0.0962","0.1118","","","","","","1.019","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549521","16.7564","0.0013","7.9403","0.0006","17.9303","0.0013","90","","103.777","0.003","90","","2317","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-methoxybenzylammonium) tetrabromidocadmate(II)","","- C16 H24 Br4 Cd N2 O2 -","- C16 H24 Br4 Cd N2 O2 -","- C64 H96 Br16 Cd4 N8 O8 -","4","1","SJ4181","Umarani, Parthasarathy; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(4-methoxybenzylammonium) tetrabromidocadmate(II)","IUCrData","2018","3","6","x180795","","10.1107/S2414314618007952","","","0.71073","MoKα","","0.0867","0.0524","","","0.1082","0.1234","","","","","","1.059","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:40",""
"1549528","6.8573","0.0012","7.4073","0.0014","15.55","0.003","87.843","0.006","78.892","0.005","72.347","0.005","738.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","HB4235","Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.","(3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one","IUCrData","2018","3","6","x180829","","10.1107/S2414314618008295","","","0.71073","MoKα","","0.1265","0.0798","","","0.1987","0.2513","","","","","","1.122","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549529","11.0118","0.001","11.7295","0.0011","11.7453","0.0011","66.009","0.004","67.12","0.004","66.057","0.004","1220.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342)","","- C19.83 H29 Cl3 N4 O2.17 -","- C19.829 H29 Cl3 N4 O2.171 -","- C39.658 H58 Cl6 N8 O4.342 -","2","1","LH4035","Van Erdewyk, Martha L.; Oshin, Kayode D.","Crystal structure of tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342)","IUCrData","2018","3","6","x180826","","10.1107/S241431461800826X","","","1.54178","CuKα","","0.07","0.0643","","","0.1783","0.1857","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","208223","2020-10-21","18:00:00",""
"1549562","5.8131","0.0003","7.6682","0.0004","26.7168","0.0015","90.221","0.002","91.168","0.002","91.44","0.003","1190.29","0.11","173","2","173","","","","","","","","","6","P -1","-P 1","2","betaine sodium iodide trhydrate","<i>catena</i>-Poly[[[bis[2-(trimethylazaniumyl)acetato-κ<i>O</i>]sodium]-di-μ-aqua-[diaquasodium]-di-μ-aqua] diiodide]","","- C5 H17 I N Na O5 -","- C5 H17 I N Na O5 -","- C20 H68 I4 N4 Na4 O20 -","4","2","BV4018","Nazarenko, Alexander Y.","Betaine (trimethylammonioacetate) binary compound with sodium iodide","IUCrData","2018","3","6","x180864","","10.1107/S2414314618008647","","","0.71073","MoKα","","0.0425","0.0288","","","0.047","0.0499","","","","","","1.148","","","","has coordinates,has Fobs","282761","2023-04-20","06:46:01",""
"1549563","37.0489","0.0016","13.3154","0.0007","6.917","0.0004","90","","93.771","0.004","90","","3404.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C152 H128 N32 O24 -","8","2","HB4237","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one","IUCrData","2018","3","6","x180841","","10.1107/S2414314618008416","","","0.71073","MoKα","","0.1747","0.0756","","","0.2124","0.2667","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549576","7.4539","0.0005","7.8553","0.0005","17.2286","0.001","90","","90","","90","","1008.78","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","BT4070","Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","IUCrData","2018","3","6","x180852","","10.1107/S2414314618008520","","","0.71073","MoKα","","0.052","0.0419","","","0.0907","0.0969","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549584","9.2366","0.0011","10.2045","0.0012","16.1922","0.0018","90","","92.144","0.002","90","","1525.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","HB4241","Moussaif, Ahmed; Ramli, Youssef; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate","IUCrData","2018","3","6","x180892","","10.1107/S2414314618008921","","","0.71073","MoKα","","0.0539","0.0439","","","0.1204","0.1255","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549585","7.7306","0.0005","16.8048","0.0011","9.3113","0.0006","90","","102.001","0.002","90","","1183.2","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","RZ4025","Missioui, Mohcine; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate","IUCrData","2018","3","6","x180882","","10.1107/S2414314618008829","","","1.54178","CuKα","","0.0334","0.0308","","","0.0802","0.0823","","","","","","1.023","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549586","13.1301","0.0003","11.9592","0.0002","10.3738","0.0003","90","","112.041","0.003","90","","1509.9","0.07","100","","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloronaphthalen-1-yl tosylate","4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate","","- C17 H13 Cl O3 S -","- C17 H13 Cl O3 S -","- C68 H52 Cl4 O12 S4 -","4","1","SJ4183","Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate","IUCrData","2018","3","6","x180889","","10.1107/S2414314618008891","","","0.71073","MoKα","","0.0326","0.0262","","","0.0703","0.0716","","","","","","1.059","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549587","12.227","0.0003","5.7229","0.0001","15.9353","0.0005","90","","109.869","0.003","90","","1048.68","0.05","100","","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate)","","- C24 H20 O6 S2 -","- C24 H20 O6 S2 -","- C48 H40 O12 S4 -","2","0.5","HB4242","Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate)","IUCrData","2018","3","6","x180890","","10.1107/S2414314618008908","","","0.71073","MoKα","","0.0333","0.0284","","","0.0805","0.0823","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549604","9.10074","0.00014","17.7897","0.0003","24.9408","0.0003","90","","97.7826","0.0014","90","","4000.71","0.1","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate","","- C45 H39 F6 Fe O4 P3 -","- C45 H39 F6 Fe O4 P3 -","- C180 H156 F24 Fe4 O16 P12 -","4","1","HB4240","Ma, Yuzhi; Lindeman, Sergey; Donaldson, William A.","Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate","IUCrData","2018","3","6","x180902","","10.1107/S2414314618009021","","","0.71073","MoKα","","0.0453","0.0335","","","0.0913","0.0945","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","208653","2020-10-21","18:00:00",""
"1549605","11.737","0.0013","8.8719","0.0008","14.3722","0.0016","90","","106.616","0.003","90","","1434.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diisopropylammonium benzenesulfonate","Diisopropylammonium bis(propan-2-yl)azanium","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C48 H84 N4 O12 S4 -","4","1","HB4233","Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Geiger, David K.","Diisopropylammonium benzenesulfonate","IUCrData","2018","3","6","x180876","","10.1107/S2414314618008763","","","0.71073","MoKa","","0.0689","0.0501","","","0.1359","0.1518","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:24",""
"1549606","15.634","0.003","17.716","0.004","21.661","0.004","90","","90","","90","","5999","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0)","","- C28 H30 Mo N2 O4 P2 -","- C28 H30 Mo N2 O4 P2 -","- C224 H240 Mo8 N16 O32 P16 -","8","1","RZ4024","Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent","IUCrData","2018","3","6","x180846","","10.1107/S2414314618008465","","","0.71073","MoKα","","0.0304","0.0216","","","0.0488","0.0503","","","","","","0.917","","","","has coordinates,has Fobs","208655","2020-10-21","18:00:00",""
"1549607","15.0553","0.001","15.7338","0.0012","6.9701","0.0005","90","","99.54","0.004","90","","1628.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C19 H13 F3 N4 -","- C19 H13 F3 N4 -","- C76 H52 F12 N16 -","4","1","HB4239","El Hafi, Mohamed; Boulhaoua, Mohammed; Lahmidi, Sanae; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","IUCrData","2018","3","6","x180875","","10.1107/S2414314618008751","","","1.54178","CuKα","","0.0813","0.0596","","","0.1332","0.1471","","","","","","1.025","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549608","8.834","0.0003","18.6849","0.0006","7.6927","0.0003","90","","91.478","0.001","90","","1269.35","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate","Ethyl 3-methyl-1-oxo-4<i>H</i>-1λ^4^,4-benzothiazine-2-carboxylate monohydrate","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C48 H60 N4 O16 S4 -","4","1","SJ4184","Baryala, Yamna; El Bakri, Youness; Anouar, El Hassane; Zerzouf, Abdelfettahb; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate","IUCrData","2018","3","6","x180887","","10.1107/S2414314618008878","","","1.54178","CuKα","","0.0333","0.0314","","","0.0764","0.0778","","","","","","1.085","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549628","14.2754","0.0009","6.5831","0.0004","21.5365","0.0013","90","","90","","90","","2023.9","0.2","173","2","173.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","Sodium rubidium disaccharinate dihydrate","Sodium rubidium bis(3-oxo-3<i>H</i>-1,2-benzothiazol-2-ide 1,1-dioxide) tetrahydrate","","- C14 H16 N2 Na O10 Rb S2 -","- C14 H16 N2 Na O10 Rb S2 -","- C56 H64 N8 Na4 O40 Rb4 S8 -","4","0.5","BH4037","Nazarenko, Alexander Y.","Sodium rubidium disaccharinate tetrahydrate","IUCrData","2018","3","6","x180867","","10.1107/S2414314618008672","","","0.71073","MoKα","","0.0389","0.0274","","","0.0628","0.0673","","","","","","1.052","","","","has coordinates,has Fobs","208719","2020-10-21","18:00:00",""
"1549664","14.898","0.002","14.878","0.002","8.4007","0.0013","90","","96.78","0.002","90","","1849","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","SJ4186","Akrad, Rachida; Guerrab, Walid; Lazrak, Fatima; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef","4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","IUCrData","2018","3","7","x180934","","10.1107/S2414314618009343","","","0.71073","MoKα","","0.0502","0.041","","","0.1098","0.1139","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549665","5.9642","0.0006","17.7004","0.0017","11.3963","0.0011","90","","100.695","0.001","90","","1182.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","VM4036","El Ghayati, Lhoussaine; Ramli, Youssef; Moussaif, Ahmed; Koubachi, Jamal; Taha, Mohamed Labd; Essassi, El Mokhtar; Mague, Joel T.","2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine","IUCrData","2018","3","7","x180953","","10.1107/S2414314618009537","","","0.71073","MoKα","","0.0616","0.0425","","","0.1027","0.1084","","","","","","0.973","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549666","5.7029","0.0002","4.0346","0.0001","28.9081","0.001","90","","90.751","0.003","90","","665.09","0.04","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","","- C17 H12 O4 -","- C17 H12 O4 -","- C34 H24 O8 -","2","1","BH4038","Djandé, Abdoulaye; Abou, Akoun; Kini, Félix; Kambo, Konan René; Giorgi, Michel","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","IUCrData","2018","3","7","x180927","","10.1107/S2414314618009276","","","1.54184","CuKα","","0.0312","0.0297","","","0.0783","0.0794","","","","","","1.122","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:24",""
"1549667","9.8377","0.0011","7.07","0.0008","24.268","0.003","90","","100.12","0.001","90","","1661.6","0.3","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[(μ~5~-<i>cis</i>-cyclohex-4-ene-1,2-dicarboxylato)(μ~3~-<i>cis</i>-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)]","","- C16 H16 Cd2 O8 -","- C16 H16 Cd2 O8 -","- C64 H64 Cd8 O32 -","4","1","LH4036","LaDuca, Andrew R.; LaDuca, Robert L.","Poly[(μ5-cis-cyclohex-4-ene-1,2-dicarboxylato)(μ3-cis-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)]","IUCrData","2018","3","7","x180924","","10.1107/S2414314618009240","","","0.71073","MoKα","","0.0469","0.0367","","","0.0849","0.0914","","","","","","1.074","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:40",""
"1549674","11.5219","0.0006","14.2321","0.0007","14.7033","0.0007","72.201","0.002","73.469","0.002","73.647","0.002","2150.18","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one","","- C25 H20 N2 O5 -","- C25 H20 N2 O5 -","- C100 H80 N8 O20 -","4","2","HB4244","Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one","IUCrData","2018","3","7","x180962","","10.1107/S2414314618009628","","","0.71073","MoKα","","0.067","0.0439","","","0.1057","0.1215","","","","","","1.016","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549675","23.5234","0.001","10.5928","0.0004","23.4895","0.0013","90","","90","","90","","5853.1","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","","- C17 H13 N5 O -","- C17 H13 N5 O -","- C272 H208 N80 O16 -","16","4","HB4243","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","IUCrData","2018","3","7","x180966","","10.1107/S2414314618009665","","","0.71073","MoKα","","0.0946","0.052","","","0.1193","0.145","","","","","","1.058","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549702","7.3167","0.0002","15.5894","0.0004","15.5627","0.0003","90","","101.82","0.002","90","","1737.49","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate","5,5-Diphenyl-2-sulfanylideneimidazolidin-4-one dimethyl sulfoxide monosolvate","","- C17 H18 N2 O2 S2 -","- C17 H18 N2 O2 S2 -","- C68 H72 N8 O8 S8 -","4","1","HB4245","Aziz, Hamid; Saeed, Aamer; Simpson, Jim","5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate","IUCrData","2018","3","7","x181010","","10.1107/S2414314618010106","","","1.54184","CuKα","","0.0435","0.0359","","","0.0872","0.0932","","","","","","1.065","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549703","11.4283","0.0018","9.2294","0.0015","12.3632","0.0019","90","","96.89","0.002","90","","1294.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","HB4246","Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T.","4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one","IUCrData","2018","3","7","x181011","","10.1107/S2414314618010118","","","0.71073","MoKα","","0.0886","0.0539","","","0.1417","0.1522","","","","","","0.931","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:25",""
"1549714","9.265","0.0002","10.3523","0.0002","36.0698","0.0008","90","","90","","90","","3459.6","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H15 N O2 S -","- C22 H15 N O2 S -","- C176 H120 N8 O16 S8 -","8","1","SJ4187","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2018","3","7","x181019","","10.1107/S2414314618010192","","","0.71073","MoKα","","0.0799","0.0463","","","0.0907","0.1046","","","","","","1.061","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549720","12.2836","0.0004","14.5343","0.0005","7.8596","0.0003","90","","90","","90","","1403.2","0.09","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","VM4037","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","IUCrData","2018","3","7","x181046","","10.1107/S2414314618010465","","","1.54178","CuKα","","0.0361","0.0346","","","0.0905","0.0929","","","","","","1.08","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549721","4.6852","0.0001","17.5786","0.0005","18.8573","0.0005","90","","90","","90","","1553.07","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","SU4166","Goyal, Navneet; Do, Camilla; Donahue, James P.; Mague, Joel T.; Foroozesh, Maryam","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","IUCrData","2018","3","7","x180993","","10.1107/S2414314618009938","","","1.54178","CuKα","","0.0392","0.0352","","","0.0848","0.0888","","","","","","1.084","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549779","8.3287","0.0007","13.8956","0.0009","20.3124","0.0015","90","","90.635","0.008","90","","2350.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate","","- C25 H24 N4 O3 S -","- C25 H24 N4 O3 S -","- C100 H96 N16 O12 S4 -","4","1","HB4250","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate","IUCrData","2018","3","8","x181106","","10.1107/S2414314618011069","","","0.71073","MoKα","","0.1577","0.0629","","","0.1362","0.1822","","","","","","1.012","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549780","4.9045","0.0003","11.7945","0.0005","5.8231","0.0002","90","","90","","90","","336.84","0.03","295","1","295","1","","","","","","","","4","P b c m","-P 2c 2b","57","Ammonium metavanadate","Hydroxy(dioxido)vanadium ammoniate","","- H4 N O3 V -","- H4 N O3 V -","- H16 N4 O12 V4 -","4","0.5","WM4083","Pérez-Benítez, Aarón; Bernès, Sylvain","Redetermination of ammonium metavanadate","IUCrData","2018","3","8","x181080","","10.1107/S2414314618010805","","","0.56083","AgKα","","0.019","0.0144","","","0.0403","0.042","","","","","","1.13","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:41",""
"1549781","19.7403","0.001","9.3294","0.0003","15.0595","0.0007","90","","90","","90","","2773.4","0.2","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","8-Methyl-16-oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9(14),10,12,18-heptaen-15-one","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","LH4037","Devassia, Tomson; Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","10-Methyl-9,11-annulated dibenzobarrelene","IUCrData","2018","3","8","x181102","","10.1107/S2414314618011021","","","0.71073","MoKα","","0.0656","0.0457","","","0.1168","0.1318","","","","","","1.043","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549793","11.6462","0.0008","6.3754","0.0004","14.7003","0.0009","90","","92.711","0.007","90","","1090.26","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate","","- C10 H7 Cl N3 Na O2 -","- C10 H7 Cl N3 Na O2 -","- C40 H28 Cl4 N12 Na4 O8 -","4","1","HB4252","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate","IUCrData","2018","3","8","x181127","","10.1107/S2414314618011276","","","0.71073","MoKα","","0.0708","0.0445","","","0.0991","0.1152","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549794","9.6306","0.0007","10.813","0.0008","17.0381","0.0014","91.826","0.005","95.619","0.004","90.734","0.004","1764.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(triphenylphosphine)iminium tetrafluoridoborate chloroform monosolvate","Bis(triphenyl-λ^5^-phosphanylidene)azanium tetrafluoridoborate chloroform monosolvate","","- C37 H31 B Cl3 F4 N P2 -","- C37 H31 B Cl3 F4 N P2 -","- C74 H62 B2 Cl6 F8 N2 P4 -","2","1","SJ4188","Manandhar, Rachana; Rath, Nigam P.; Jones, Myron W.","Bis(triphenylphosphine)iminium tetrafluoroborate chloroform monosolvate","IUCrData","2018","3","8","x181108","","10.1107/S2414314618011082","","","0.71073","MoKα","","0.1034","0.0532","","","0.1093","0.1303","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:25",""
"1549795","15.631","0.012","11.614","0.008","16.976","0.011","90","","90","","90","","3082","4","150","","149.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-2,3,3-trimethylindol-1-ium iodide","","- C15 H22 I N -","- C15 H22 I N -","- C120 H176 I8 N8 -","8","1","HB4247","da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís","1-Butyl-2,3,3-trimethylindol-1-ium iodide","IUCrData","2018","3","8","x181130","","10.1107/S2414314618011306","","","0.71073","MoKα","","0.0273","0.019","","","0.0435","0.0472","","","","","","1.03","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549803","13.2958","0.0013","5.1981","0.0004","18.8162","0.0015","90","","109.212","0.009","90","","1228.02","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","BH4039","Padgett, Clifford W.; Lynch, Will E.; Sheriff, Kirkland; Dean, Raven; Zingales, Sarah","3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one","IUCrData","2018","3","8","x181138","","10.1107/S2414314618011380","","","0.71073","MoKα","","0.094","0.0536","","","0.1389","0.1703","","","","","","1.039","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549804","9.9013","0.0009","9.9013","0.0009","28.981","0.002","90","","90","","120","","2460.5","0.4","223","2","223","2","","","","","","","","5","P 65","P 65","170","","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C108 H108 Cl6 N18 O6 -","6","1","LH4038","Lee, Ji Hye; Koh, Dongsoo","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","IUCrData","2018","3","8","x181152","","10.1107/S2414314618011525","","","0.71073","MoKα","","0.0556","0.0395","","","0.0769","0.0828","","","","","","1.103","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549819","7.3968","0.0008","10.6475","0.0009","12.7769","0.0013","106.577","0.009","100.809","0.009","108.208","0.009","872.83","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate","","- C17 H20 N6 O2 -","- C17 H20 N6 O2 -","- C34 H40 N12 O4 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate","IUCrData","2018","3","8","x181162","","10.1107/S2414314618011628","","","0.71073","MoKα","","0.0852","0.0572","","","0.1331","0.1551","","","","","","1.049","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549869","7.9093","0.0002","13.3712","0.0004","25.3669","0.0007","90","","90","","90","","2682.72","0.13","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate–methanol–water (1/1/1)","","- C25 H47 N O7 -","- C25 H47 N O7 -","- C100 H188 N4 O28 -","4","1","HB4254","Eitel, Michael; Schollmeyer, Dieter; Gross, Harald; Koch, Pierre","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate–methanol–water (1/1/1)","IUCrData","2018","3","8","x181194","","10.1107/S241431461801194X","","","0.71073","MoKα","","0.069","0.0487","","","0.0887","0.0984","","","","","","1.07","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549870","15.7782","0.0015","7.4076","0.0007","28.567","0.003","90","","95.7271","0.0019","90","","3322.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II)","","- C9 H14 Br4 Co N4 -","- C9 H14 Br4 Co N4 -","- C72 H112 Br32 Co8 N32 -","8","1","IS4029","Peppel, Tim; Spannenberg, Anke","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II)","IUCrData","2018","3","8","x181212","","10.1107/S2414314618012129","","","0.71073","MoKα","","0.033","0.0239","","","0.0457","0.0481","","","","","","1.049","","","","has coordinates,has Fobs","210293","2020-10-21","18:00:00",""
"1549871","7.4005","0.0008","10.4272","0.0011","10.5704","0.0011","86.076","0.002","72.382","0.002","81.325","0.002","768.3","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one","","- C18 H13 Cl2 N O2 -","- C18 H13 Cl2 N O2 -","- C36 H26 Cl4 N2 O4 -","2","1","VM4038","Grinev, Vyacheslav S.; Osipov, Alexander K.; Yegorova, Alevtina Yu.","(<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one","IUCrData","2018","3","8","x181224","","10.1107/S2414314618012245","","","0.71073","MoKα","","0.0398","0.036","","","0.099","0.1023","","","","","","1.047","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549872","7.2618","0.0004","8.9419","0.0006","11.0001","0.0007","85.545","0.005","86.177","0.005","75.248","0.005","687.84","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,2'-Bipyridinium oxalate monohydrate","2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate","","- C13 H13 N2 O7 -","- C13 H13 N2 O7 -","- C26 H26 N4 O14 -","2","1","BT4073","Dziuk, Błażej; Jezuita, Anna","2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate","IUCrData","2018","3","8","x181219","","10.1107/S2414314618012191","","","0.71073","MoKα","","0.0434","0.0322","","","0.0857","0.0889","","","","","","1.04","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549898","5.6271","0.0004","21.1764","0.0014","8.2787","0.0005","90","","105.86","0.002","90","","948.95","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine","","- C22 H36 N2 -","- C22 H36 N2 -","- C44 H72 N4 -","2","0.5","BV4021","Grace, P. Selvarathy; Nirmalram, Jeyaraman Selvaraj; Nayagam, B. Ravindran Durai; Schollmeyer, Dieter","1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine","IUCrData","2018","3","9","x181237","","10.1107/S2414314618012373","","","0.71073","MoKα","","0.059","0.0448","","","0.1084","0.118","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549899","5.859","0.005","7.479","0.006","16.329","0.014","93.818","0.012","91.29","0.03","94.252","0.01","711.7","1","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C30 H28 N8 O6 -","2","2","TK4050","Wang, Zhaodong; Ni, Haitao","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","IUCrData","2018","3","9","x181230","","10.1107/S2414314618012300","","","0.71073","MoKα","","0.0705","0.0501","","","0.099","0.106","","","","","","1.118","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549950","9.362","0.0004","11.6073","0.0005","15.0732","0.0007","90","","98.859","0.002","90","","1618.43","0.12","296","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","BV4020","Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.","Crystal structure of (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181273","","10.1107/S2414314618012737","","","0.71073","MoKα","","0.0626","0.0444","","","0.1196","0.1333","","","","","","1.051","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549951","12.0255","0.0002","8.9303","0.0002","15.8822","0.0003","90","","95.813","0.001","90","","1696.84","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine-2-thione ethanol monosolvate","","- C17 H24 N2 O S -","- C17 H24 N2 O S -","- C68 H96 N8 O4 S4 -","4","1","HB4260","Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; El Hafi, Mohamed; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T.","4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine-2-thione ethanol monosolvate","IUCrData","2018","3","9","x181276","","10.1107/S2414314618012762","","","1.54178","CuKα","","0.0549","0.0439","","","0.1126","0.1251","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","301779","2025-08-18","16:07:25",""
"1549952","7.9937","0.0005","9.3819","0.0006","12.2131","0.0008","72.552","0.003","86.895","0.003","67.288","0.003","804.06","0.09","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4H-chromen-4-one","","- C21 H16 O4 -","- C21 H16 O4 -","- C42 H32 O8 -","2","1","SJ4189","Sung, Jiha","6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181277","","10.1107/S2414314618012774","","","0.71073","MoKα","","0.1448","0.0555","","","0.1032","0.1329","","","","","","1.018","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549966","18.6131","0.0013","18.2243","0.0013","15.8867","0.0011","90","","110.757","0.001","90","","5039.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6'-cyano-7'-phenyl-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole-6'-carboxylate","","- C30 H24 N4 O2 S -","- C30 H24 N4 O2 S -","- C240 H192 N32 O16 S8 -","8","1","FF4027","Muthuselvi, C.; Athimoolam, S.; Srinivasan, N.; Ravikumar, B.; Pandiarajan, S.; Krishnakumar, R. V.","Ethyl 6'-cyano-7'-phenyl-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole-6'-carboxylate","IUCrData","2018","3","9","x181286","","10.1107/S2414314618012865","","","0.71073","MoKα","","0.0808","0.0643","","","0.1705","0.1859","","","","","","1.034","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549978","22.3701","0.0006","6.8836","0.0002","15.7987","0.0004","90","","106.058","0.0013","90","","2337.88","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C15 H9 F O3 -","- C15 H9 F O3 -","- C120 H72 F8 O24 -","8","2","FF4028","Koh, Dongsoo","2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181332","","10.1107/S2414314618013329","","","0.71073","MoKα","","0.0952","0.0485","","","0.1104","0.1341","","","","","","1.027","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549979","16.805","0.0016","8.3008","0.0008","15.7976","0.0013","90","","100.259","0.009","90","","2168.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diglycinium squarate","Bis(carboxymethanaminium) 3,4-dioxocyclobut-1-ene-1,2-diolate","","- C8 H12 N2 O8 -","- C8 H12 N2 O8 -","- C64 H96 N16 O64 -","8","1","WM5461","Seidel, Rüdiger W.","Revision of the crystal structure of `bis(glycine) squaric acid'","IUCrData","2018","3","9","x181324","","10.1107/S241431461801324X","","","0.71073","MoKα","","0.0479","0.0426","","","0.109","0.1131","","","","","","1.041","","","","has coordinates,has Fobs","211118","2020-10-21","18:00:00",""
"1549980","13.0062","0.0009","5.9631","0.0004","18.3801","0.0014","90","","104.019","0.007","90","","1383.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,9-Dimethoxybenzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","HB4248","Hemanathan, K.; Raja, R.; Murugesan, K. Sakthi","8,9-Dimethoxybenzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene","IUCrData","2018","3","9","x181257","","10.1107/S2414314618012579","","","0.71073","MoKα","","0.0683","0.0469","","","0.1085","0.1192","","","","","","1.067","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549981","8.0233","0.0015","16.877","0.003","17.013","0.003","90","","101.021","0.002","90","","2261.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Aminophenyl)-3-[3,4-bis(pyridin-2-ylmethoxy)phenyl]acrylonitrile","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","1","BT4071","Liu, Gang; Liu, Qingsong; Zhang, Huihui; Yu, Jianhua","2-(4-Aminophenyl)-3-[3,4-bis(pyridin-2-ylmethoxy)phenyl]acrylonitrile","IUCrData","2018","3","9","x181329","","10.1107/S2414314618013299","","","0.71073","MoKα","","0.062","0.0405","","","0.1062","0.1156","","","","","","1.071","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549982","9.069","0.005","13.319","0.007","11.851","0.007","90","","112.161","0.007","90","","1325.7","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)pent-4-enoate","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","PK4019","Lahmidi, Sanae; El Hafi, Mohamed; Moussaif, Ahmed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)pent-4-enoate","IUCrData","2018","3","9","x181280","","10.1107/S2414314618012804","","","0.71073","MoKα","","0.047","0.0386","","","0.1109","0.1152","","","","","","1.134","","","","has coordinates,has Fobs","211121","2020-10-21","18:00:00",""
"1549983","8.462","0.0014","16.243","0.003","11.477","0.002","90","","93.091","0.002","90","","1575.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-7-(2-morpholin-4-yl-ethoxy)-chromen-2-one","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","HB4255","Wang, Junjun; Zhu, Yin; Wang, Haiyan; Yang, Mingdi","3-Acetyl-7-(2-morpholin-4-yl-ethoxy)-chromen-2-one","IUCrData","2018","3","9","x181327","","10.1107/S2414314618013275","","","0.71073","MoKα","","0.0507","0.0433","","","0.1168","0.1232","","","","","","1.029","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549987","7.841","0.004","8.203","0.004","11.08","0.006","79.131","0.007","85.616","0.006","74.077","0.006","672.8","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(Pentyloxy)dibenzo[<i>b</i>,<i>d</i>]furan","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","BX4012","Goyal, Navneet; Donahue, James P.; Do, Camilla; Perry, Timothy; Bongay-Williams, Kyla; Foroozesh, Maryam","A dibenzofuran derivative: 2-(pentyloxy)dibenzo[<i>b</i>,<i>d</i>]furan","IUCrData","2018","3","9","x181306","","10.1107/S2414314618013068","","","0.71073","MoKα","","0.0763","0.0524","","","0.1278","0.152","","","","","","1.113","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549988","10.1759","0.0015","23.521","0.004","7.4038","0.0011","90","","95.674","0.002","90","","1763.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","BT4072","Rao, Qingpeng; Wang, Zepeng; Yang, Mingdi; Wu, Zhichao","(<i>Z</i>)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile","IUCrData","2018","3","9","x181328","","10.1107/S2414314618013287","","","0.71073","MoKα","","0.054","0.0426","","","0.1067","0.1132","","","","","","1.014","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1549989","10.1251","0.0005","11.1335","0.0006","15.9006","0.0008","102.745","0.003","101.1","0.003","101.52","0.003","1659.74","0.15","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","3-[2-(3-Nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C66 H66 N18 O24 -","6","3","HB4256","Marten, Jan; Seichter, Wilhelm; Weber, Edwin","3-[2-(3-Nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione","IUCrData","2018","3","9","x181344","","10.1107/S2414314618013445","","","0.71073","MoKα","","0.0633","0.0408","","","0.1098","0.1265","","","","","","1.003","","","","has coordinates,has Fobs","301779","2025-08-18","16:07:25",""
"1550027","9.9957","0.0006","14.5325","0.0009","15.8353","0.001","81.671","0.005","81.344","0.005","80.469","0.005","2225.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate","","- C21.5 H20.5 Br N6.5 O0.5 S -","- C21.5 H20.5 Br N6.5 O0.5 S -","- C86 H82 Br4 N26 O2 S4 -","4","2","SJ4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate","IUCrData","2018","3","10","x181378","","10.1107/S2414314618013780","","","0.71073","MoKα","","0.1383","0.0558","","","0.1121","0.1447","","","","","","1.009","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550028","9.0292","0.0007","9.864","0.001","10.8754","0.0009","111.021","0.009","105.103","0.008","96.945","0.007","847.86","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C17 H17 N5 O S -","- C17 H17 N5 O S -","- C34 H34 N10 O2 S2 -","2","1","SJ4191","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-1-(4-methylphenyl)-N′-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide","IUCrData","2018","3","10","x181379","","10.1107/S2414314618013792","","","0.71073","MoKα","","0.1076","0.063","","","0.1441","0.1736","","","","","","1.038","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550078","8.6962","0.0012","8.7349","0.0012","14.559","0.002","106.468","0.002","92.949","0.002","111.771","0.002","969.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(3,4,6-trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)benzoate","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C48 H46 N6 O4 -","2","1","HB4267","Jouha, Jabrane; Loubidi, Mohamed; El Hafi, Mohamed; Tber, Zahira; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 4-(3,4,6-trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)benzoate","IUCrData","2018","3","10","x181449","","10.1107/S2414314618014499","","","0.71073","MoKα","","0.0553","0.046","","","0.1304","0.1368","","","","","","1.115","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550079","10.0164","0.0005","22.7494","0.0003","15.0848","0.0008","90","","138.151","0.01","90","","2293.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Samarium(III) DAPSC nitrate tetrahydrate","Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate","","- C11 H23 N10 O15 Sm -","- C11 H23 N10 O15 Sm -","- C44 H92 N40 O60 Sm4 -","4","1","SJ4193","Gioia, Michael; Crundwell, Guy; Westcott, Barry L.","Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate","IUCrData","2018","3","10","x181454","","10.1107/S2414314618014542","","","0.71073","MoKα","","0.0738","0.0493","","","0.1148","0.1271","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:21",""
"1550080","4.9417","0.0002","7.6157","0.0003","23.4472","0.0009","94.49","0.002","92.997","0.002","98.136","0.002","869.06","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C36 H38 N2 O14 -","2","1","HB4265","Bouzian, Younos; Hlimi, Fouzia; kheira Sebbar, Nada; El Hafi, Mohamed; Hni, Brahim; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate","IUCrData","2018","3","10","x181438","","10.1107/S2414314618014384","","","1.54178","CuKα","","0.0434","0.0374","","","0.0937","0.0994","","","","","","1.033","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550081","16.3784","0.0011","7.3134","0.0003","7.1566","0.0004","90","","91.205","0.002","90","","857.04","0.08","180","1","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(pyrrolidinium) hexachloridostannate","","- C8 H20 Cl6 N2 Sn -","- C8 H20 Cl6 N2 Sn -","- C16 H40 Cl12 N4 Sn2 -","2","0.25","SU5454","Gotoh, Kazuma; Ishida, Hiroyuki","Bis(pyrrolidinium) hexachloridostannate: a redetermination","IUCrData","2018","3","10","x181397","","10.1107/S2414314618013974","","","0.71075","MoKα","","0.0241","0.0236","","","0.0563","0.0566","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:41",""
"1550082","8.5308","0.0011","8.5308","0.0011","31.893","0.004","90","","90","","90","","2321","0.5","200","2","200","2","","","","","","","","5","P 43","P 4cw","78","","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","","- C19 H28 Cl N3 O5 -","- C19 H28 Cl N3 O5 -","- C76 H112 Cl4 N12 O20 -","4","1","SJ4194","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","IUCrData","2018","3","10","x181470","","10.1107/S2414314618014700","","","0.71073","MoKα","","0.0761","0.0646","","","0.1727","0.182","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:21",""
"1550129","3.8938","0.0002","5.8223","0.0003","25.8645","0.0016","90","","92.044","0.005","90","","586","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide","","- C12 H8 Br2 N2 O -","- C12 H8 Br2 N2 O -","- C24 H16 Br4 N4 O2 -","2","0.5","BH4042","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","(<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide","IUCrData","2018","3","10","x181486","","10.1107/S2414314618014864","","","1.54184","CuKα","","0.0516","0.0494","","","0.1352","0.1367","","","","","","1","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550130","9.7335","0.0007","10.6473","0.0007","24.7554","0.0017","87.443","0.002","84.272","0.002","62.978","0.002","2274.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","2-Amino-5-chlorobenzophenone","2-Benzoyl-4-chloroaniline","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","4","XU4036","Javed, Saleem; Faizi, Md. Serajul Haque; Nazia, Siddiqui; Iskenderov, Turganbay","2-Amino-5-chlorobenzophenone","IUCrData","2018","3","10","x181444","","10.1107/S241431461801444X","","","0.71073","MoKα","","0.2229","0.0799","","","0.1813","0.2252","","","","","","1.055","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550169","7.3899","0.0005","22.447","0.002","28.512","0.002","90","","90","","90","","4729.6","0.6","123","2","123","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","","- C10 H28 Cl6 N6 Te -","- C10 H28 Cl6 N6 Te -","- C80 H224 Cl48 N48 Te8 -","8","","XI4001","Giltzau, Niels Ole; Köckerling, Martin","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","IUCrData","2018","3","10","x181488","","10.1107/S2414314618014888","","","0.71073","MoKα","","0.0142","0.0128","","","0.0333","0.0342","","","","","","1.256","","","","has coordinates,has Fobs","211748","2020-10-21","18:00:00",""
"1550200","19.6249","0.0016","7.2198","0.0006","14.9117","0.0012","90","","108.592","0.001","90","","2002.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-(Aminothioxomethyl)-1-methyl-pyridinium","1-Methyl-4-thiocarbamoylpyridin-1-ium iodide","","- C7 H9 I N2 S -","- C7 H9 I N2 S -","- C56 H72 I8 N16 S8 -","8","1","BH4040","Shotonwa, Ibukun O.; Boeré, René T.","1-Methyl-4-thiocarbamoylpyridin-1-ium iodide","IUCrData","2018","3","11","x181491","","10.1107/S2414314618014918","","","0.71073","MoKα","","0.0161","0.0138","","","0.0309","0.0317","","","","","","1.068","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550216","10.0535","0.0012","12.3705","0.0014","19.236","0.002","90","","104.476","0.003","90","","2316.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~2~-Chlorido-chlorido(μ~2~-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II)lithium","","- C19 H37 Cl2 Co Li N2 O3 -","- C19 H37 Cl2 Co Li N2 O3 -","- C76 H148 Cl8 Co4 Li4 N8 O12 -","4","1","WM4089","Vinocour, Felipe A.; Soto-Navarro, Andrea; Pineda, Leslie W.","μ2-Chlorido-chlorido(μ2-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κO)cobalt(II)lithium","IUCrData","2018","3","11","x181577","","10.1107/S2414314618015778","","","0.71073","MoKα","","0.0616","0.0515","","","0.1347","0.1403","","","","","","1.233","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:42",""
"1550217","10.1497","0.0012","5.1276","0.0004","11.6896","0.0016","90","","99.541","0.01","90","","599.95","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-[7-Hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","BT4076","Detert, Heiner; Schollmeyer, Dieter","The <i>rel-R</i>,<i>R</i>-enantiomer of 7-[7-hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","IUCrData","2018","3","11","x181550","","10.1107/S241431461801550X","","","0.71073","MoKα","","0.0642","0.0433","","","0.0867","0.097","","","","","","1.046","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:21",""
"1550273","7.485","0.005","9.173","0.007","16.995","0.013","90","","90","","90","","1166.9","1.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C16 H14 O","1,1-Diphenylbut-3-yn-1-ol","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","HB4269","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","Homopropargyl alcohol 1,1-diphenylbut-3-yn-1-ol","IUCrData","2018","3","11","x181619","","10.1107/S241431461801619X","","","0.71073","MoKα","","0.0274","0.027","","","0.0747","0.075","","","","","","1.062","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550274","12.1143","0.0004","9.8134","0.0001","14.2602","0.0002","90","","95.116","0.001","90","","1688.53","0.06","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-3-methylisochroman-1-one–2-(carboxymethyl)benzoic acid (1/1)","","- C19 H18 O7 -","- C19 H18 O7 -","- C76 H72 O28 -","4","1","","Abou, Akoun; Akonan, Ludovic; Koblavi-Mansilla, Frédérica; N'gouan, Aka Joseph; Kambo, Konan René","3-Hydroxy-3-methylisochroman-1-one–2-(carboxymethyl)benzoic acid (1/1)","IUCrData","2018","3","11","x181653","","10.1107/S241431461801653X","","","0.71073","MoKα","","0.0533","0.0437","","","0.1093","0.1158","","","","","","1.048","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550275","9.424","0.0004","16.0262","0.0007","20.8913","0.001","90","","99.042","0.001","90","","3116","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol","","- C20 H16 O S -","- C20 H16 O S -","- C160 H128 O8 S8 -","8","2","RZ4026","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol","IUCrData","2018","3","11","x181616","","10.1107/S2414314618016164","","","0.71073","MoKα","","0.1733","0.0741","","","0.1056","0.1367","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:22",""
"1550276","5.1371","0.0002","9.5237","0.0004","12.9884","0.0006","106.521","0.002","96.067","0.002","95.618","0.002","600.32","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dithiobis(formamidinium) bis(hydrogen sulfate)","","- C2 H10 N4 O8 S4 -","- C2 H10 N4 O8 S4 -","- C4 H20 N8 O16 S8 -","2","1","BT4077","Zouihri, Hafid; El Korchi, Khadija; Yamni, Khalid; Tijani, Najib","Dithiobis(formamidinium) bis(hydrogen sulfate)","IUCrData","2018","3","11","x181540","","10.1107/S2414314618015407","","","0.71073","MoKα","","0.0394","0.0357","","","0.0984","0.1","","","","","","1.112","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550277","7.9772","0.0003","22.8528","0.0008","7.3075","0.0003","90","","92.791","0.001","90","","1330.59","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C17 H16 O2","5,5-Diphenylpent-2-yne-1,5-diol","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","HB4268","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","Homopropargyl alcohol 5,5-diphenylpent-2-yne-1,5-diol","IUCrData","2018","3","11","x181618","","10.1107/S2414314618016188","","","0.71073","MoKα","","0.0531","0.0446","","","0.0997","0.104","","","","","","1.027","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550278","6.5921","0.0014","8.3935","0.0018","13.185","0.003","92.023","0.003","98.309","0.003","99.741","0.003","710.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one","","- C6 H7 N5 O -","- C6 H7 N5 O -","- C24 H28 N20 O4 -","4","2","HB4263","Lahmidi, Sanae; El Hafi, Mohamed; kheira Sebbar, Nada; Abad, Nadeem; Essassi, El Mokhtar; Mague, Joel T.","2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one","IUCrData","2018","3","11","x181500","","10.1107/S2414314618015006","","","0.71073","MoKα","","0.0573","0.0454","","","0.1298","0.1377","","","","","","1.132","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550294","10.865","0.0008","14.3936","0.0009","9.8008","0.0008","90","","111.68","0.009","90","","1424.3","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Spiro[cyclopentane-1,11'-hexacyclo[7.6.0.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane]-7',15'-dione","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","BX4013","Kotha, Sambasivarao; Gunta, Rama; Cheekatla, Subba Rao; Mhatre, Darshan S.","Spiro[cyclopentane-1,11'-hexacyclo[7.6.0.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane]-7',15'-dione","IUCrData","2018","3","11","x181590","","10.1107/S2414314618015900","","x-ray","0.71073","MoKα","","0.0719","0.0523","","","0.1225","0.1398","","","","","","1.045","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550295","3.868","0.0002","3.868","0.0002","15.0321","0.0015","90","","90","","90","","224.9","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dicalcium oxidocuprate(II) dichloride","","- Ca2 Cl2 Cu O2 -","- Ca2 Cl2 Cu O2 -","- Ca4 Cl4 Cu2 O4 -","2","0.0625","WM4087","Baptiste, Benoît; Azuma, Masaki; Yu, Runze; Giura, Paola; d'Astuto, Matteo","Ca2CuO2Cl2, a redetermination from single-crystal X-ray diffraction data","IUCrData","2018","3","11","x181645","","10.1107/S2414314618016450","","","0.71073","MoKα","","0.0175","0.0175","","","0.0472","0.0472","","","","","","1.242","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:43",""
"1550311","8.1914","0.0014","9.5151","0.0016","17.781","0.003","90","","94.88","0.002","90","","1380.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3-Hydroxypropyl)-3-phenylquinoxalin-2(1<i>H</i>)-one","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","LH4040","Abad, Nadeem; Ramli, Youssef; Lahmidi, Sanae; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Hydroxypropyl)-3-phenylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","11","x181633","","10.1107/S2414314618016334","","","0.71073","MoKα","","0.0537","0.0455","","","0.1296","0.1352","","","","","","1.099","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550312","7.6672","0.0003","9.9098","0.0004","11.4101","0.0004","82.548","0.001","78.176","0.002","76.607","0.002","822.39","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3,4,6-Trimethyl-1-phenyl-5-(thiophen-3-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","","- C19 H17 N3 S -","- C19 H17 N3 S -","- C38 H34 N6 S2 -","2","1","SJ4195","Loubidi, Mohamed; Jouha, Jabrane; Tber, Zahira; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","3,4,6-Trimethyl-1-phenyl-5-(thiophen-3-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","IUCrData","2018","3","11","x181593","","10.1107/S2414314618015936","","","1.54178","CuKα","","0.047","0.0426","","","0.1126","0.1171","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","301780","2025-08-18","21:43:22",""
"1550313","6.4405","0.0009","7.266","0.0014","28.081","0.004","90","","90","","90","","1314.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)isonicotinohydrazide monohydrate","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C52 H48 Cl4 N12 O8 -","4","1","LH4041","Stondus, Jigmat; Anthal, Sumati; Jayashree, A.; Narayana, B.; Sarojini, B. K.; Kant, Rajni","Polymorph of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)isonicotinohydrazide monohydrate","IUCrData","2018","3","11","x181634","","10.1107/S2414314618016346","","","0.71073","MoKα","","0.1153","0.0666","","","0.1232","0.1475","","","","","","1.016","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550314","5.4774","0.0006","11.1557","0.0012","14.561","0.0017","90","","90","","90","","889.74","0.17","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-hydroxyphenyl)propionate","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","RZ4027","Abdou, Moaz M.; Matziari, Magdalini; O'Neill, Paul M.; Amigues, Eric; Zhou, Ruixue; Wang, Ruiyao; Ali, Basem F.","Methyl 3-(4-hydroxyphenyl)propionate","IUCrData","2018","3","11","x181662","","10.1107/S2414314618016620","","","0.71073","MoKα","","0.0637","0.0401","","","0.0815","0.0905","","","","","","1.042","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550336","4.8011","0.0002","6.5522","0.0003","7.5052","0.0003","93.618","0.002","107.044","0.002","95.658","0.002","223.575","0.017","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C9 H11 N O3 -","1","1","FY2132","Baillargeon, Pierre; Rahem, Tarik; Amigo, Carl; Fortin, Daniel; Dory, Yves L.","Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group","IUCrData","2018","3","12","x181630","","10.1107/S2414314618016309","","","1.54178","CuKα","","0.0548","0.0515","","","0.1447","0.154","","","","","","1.115","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550356","8.3019","0.0017","16.628","0.003","6.7622","0.0014","90","","90","","90","","933.5","0.3","173","","173","","","","","","","","","4","P b c m","-P 2c 2b","57","","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","0.5","VM4039","Furuya, Tetsundo; Yagi, Shiomi; Yamazaki, Shu; Haraguchi, Tomoyuki; Akitsu, Takashiro; Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","IUCrData","2018","3","12","x181728","","10.1107/S2414314618017285","","","0.71073","MoKα","","0.0667","0.0647","","","0.2054","0.2077","","","","","","1.119","","","","has coordinates,has Fobs","212553","2020-10-21","18:00:00",""
"1550362","20.216","0.004","21.275","0.002","20.821","0.0017","90","","115.414","0.013","90","","8088","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) bis[(5,10,15,20-tetraphenylporphyrinato)zinc(II)] chloroform tetrasolvate","","- C188 H140 Cl12 N16 O8 Zn3 -","- C188 H140 Cl12 N16 O8 Zn3 -","- C376 H280 Cl24 N32 O16 Zn6 -","2","0.5","WM4090","Makino, Masatomo; Matsubayashi, Kazuhiko; Kodama-Oda, Yukiko; Imawaka, Naoto; Mizuno, Nobuhiro; Kumasaka, Takashi; Yoshino, Katsumi","Construction of a supramolecule comprising [2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) and (5,10,15,20-tetraphenylporphyrinato)zinc(II)","IUCrData","2018","3","12","x181741","","10.1107/S2414314618017418","","","0.7","synchrotron","","0.0409","0.0384","","","0.0932","0.0945","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","212613","2020-10-21","18:00:00",""
"1550363","12.996","0.003","9.2813","0.0019","8.665","0.002","90","","105.503","0.007","90","","1007.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium propanedioate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","BT4079","Suresh, S.; Pandi, P.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 2-carboxyacetate","IUCrData","2018","3","12","x181714","","10.1107/S2414314618017145","","","0.71073","MoKα","","0.0662","0.0406","","","0.0949","0.1117","","","","","","1.053","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550364","7.8233","0.0005","7.4705","0.0005","20.1932","0.0012","90","","94.866","0.006","90","","1175.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide","","- C11 H8 Cl2 N2 O3 -","- C11 H8 Cl2 N2 O3 -","- C44 H32 Cl8 N8 O12 -","4","1","","Stondus, Jigmat; Anthal, Sumati; Karanth, S.; Narayana, B.; Sarojini, B. K.; Kant, Rajni","2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide","IUCrData","2018","3","12","x181740","","10.1107/S2414314618017406","","","0.71073","MoKα","","0.0541","0.0385","","","0.0918","0.1018","","","","","","1.032","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550365","7.5676","0.0002","10.7802","0.0002","11.4092","0.0003","90","","90","","90","","930.77","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","HB4272","Dioukhane, Khadim; Aouine, Younas; Faraj, Hassane; Alami, Anouar; Essassi, El Mokhtar; Zouihri, Hafid","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2018","3","12","x181718","","10.1107/S2414314618017182","","","0.71073","MoKα","","0.0297","0.0283","","","0.0837","0.0858","","","","","","1.026","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550374","8.711","0.0003","24.171","0.001","11.0653","0.0004","90","","102.598","0.001","90","","2273.75","0.15","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(benzothiazolium) dodeca-μ-chlorido-hexachlorido-<i>octahedro</i>-hexaniobium(12 <i>Nb—Nb</i>) tetrahydrofuran disolvate","","- C22 H28 Cl18 N2 Nb6 O2 S2 -","- C22 H28 Cl18 N2 Nb6 O2 S2 -","- C44 H56 Cl36 N4 Nb12 O4 S4 -","2","0.5","ZQ4033","Sperlich, Eric; Köckerling, Martin","(C~7~H~6~NS)~2~[Nb~6~Cl~18~]·2C~4~H~8~O: first niobium cluster with an <i>N</i>,<i>S</i>-heterocyclic cation","IUCrData","2018","3","12","x181760","","10.1107/S2414314618017601","","","0.71073","MoKα","","0.0288","0.023","","","0.0453","0.0472","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","212659","2020-10-21","18:00:00",""
"1550385","10.1891","0.0005","7.4627","0.0004","11.4884","0.0006","90","","111.635","0.001","90","","812.02","0.07","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methyl-1<i>H</i>-imidazol-3-ium methanesulfonate","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C20 H40 N8 O12 S4 -","4","1","BV4023","Hmissa, Taha; Mathivathanan, Logesh; Thompson, Alexander P.; Mirjafari, Arsalan","1-Methyl-1<i>H</i>-imidazol-3-ium methanesulfonate","IUCrData","2018","3","12","x181781","","10.1107/S2414314618017819","","","0.71073","MoKα","","0.0338","0.0306","","","0.0821","0.0848","","","","","","1.075","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550386","7.818","0.003","17.017","0.006","8.189","0.003","90","","117.459","0.004","90","","966.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl 2,4-dihydroxy-6-methylbenzoate","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","ZL4028","Xiong, Huiping; Mao, Shilong; Lv, Qianzhou; Zhang, Ning","Crystal structure of the ethyl 2,4-dihydroxy-6-methylbenzoate from <i>Illicium difengpi</i> K.I.B et K.I.M.","IUCrData","2018","3","12","x181776","","10.1107/S2414314618017765","","","0.71073","MoKα","","0.0818","0.0571","","","0.1552","0.1715","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550387","8.4464","0.0004","10.4163","0.0005","13.488","0.0006","71.55","0.004","76.477","0.004","71.75","0.004","1057.04","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine","","- C24 H22 N2 O P2 -","- C24 H22 N2 O P2 -","- C48 H44 N4 O2 P4 -","2","1","RZ4028","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine","IUCrData","2018","3","12","x181784","","10.1107/S2414314618017844","","","0.71073","MoKα","","0.0467","0.0312","","","0.0718","0.0746","","","","","","0.891","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:22",""
"1550389","2.812","0.001","2.812","0.001","14.437","0.006","90","","90","","120","","98.86","0.06","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.37 O2 -","- Co Li0.37 O2 -","- Co3 Li1.11 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.123","1.28","","","","","","","has coordinates","212878","2020-10-21","18:00:00",""
"1550390","2.8149","0.0006","2.8149","0.0006","14.3429","0.0003","90","","90","","120","","98.42","0.03","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.42 O2 -","- Co Li0.39 O2 -","- Co3 Li1.17 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.128","1.12","","","","","","","has coordinates","212879","2020-10-21","18:00:00",""
"1550391","2.8127","0.0001","2.8127","0.0001","14.3151","0.0008","90","","90","","120","","98.078","0.007","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.48 O2 -","- Co Li0.46 O2 -","- Co3 Li1.38 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.061","1.34","","","","","","","has coordinates","212880","2020-10-21","18:00:00",""
"1550392","2.8127","0.0001","2.8127","0.0001","14.2754","0.0005","90","","90","","120","","97.806","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.5 O2 -","- Co Li0.48 O2 -","- Co3 Li1.44 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.063","1.44","","","","","","","has coordinates","212881","2020-10-21","18:00:00",""
"1550393","2.8145","0.0001","2.8145","0.0001","14.2475","0.0007","90","","90","","120","","97.74","0.007","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.58 O2 -","- Co Li0.53 O2 -","- Co3 Li1.59 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.078","1.27","","","","","","","has coordinates","212882","2020-10-21","18:00:00",""
"1550394","2.8165","0.0001","2.8165","0.0001","14.093","0.0004","90","","90","","120","","96.817","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.79 O2 -","- Co Li0.84 O2 -","- Co3 Li2.52 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.044","1.28","","","","","","","has coordinates","212883","2020-10-21","18:00:00",""
"1550395","2.8175","0.0001","2.8175","0.0001","14.0598","0.0005","90","","90","","120","","96.658","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.89 O2 -","- Co Li0.92 O2 -","- Co3 Li2.76 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.083","1.29","","","","","","","has coordinates","212884","2020-10-21","18:00:00",""
"1550396","2.8178","0.0001","2.8178","0.0001","14.0621","0.0004","90","","90","","120","","96.694","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.98 O2 -","- Co Li1.02 O2 -","- Co3 Li3.06 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.063","1.11","","","","","","","has coordinates","212885","2020-10-21","18:00:00",""
"1550397","2.8185","0.0001","2.8185","0.0001","14.0664","0.0002","90","","90","","120","","96.772","0.005","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li O2 -","- Co Li O2 -","- Co3 Li3 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.039","1.04","","","","","","","has coordinates","212886","2020-10-21","18:00:00",""
"1550398","2.8176","0.0001","2.8176","0.0001","14.061","0.0004","90","","90","","120","","96.673","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li1.16 O2 -","- Co Li0.99 O2 -","- Co3 Li2.97 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.061","1.09","","","","","","","has coordinates","212887","2020-10-21","18:00:00",""
"1550399","2.8503","0.0006","2.8503","0.0006","14.139","0.003","90","","90","","120","","99.48","0.04","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li1.43 O2 -","- Co Li1.72 O2 -","- Co3 Li5.16 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.067","1.26","","","","","","","has coordinates","212888","2020-10-21","18:00:00",""
"1552859","12.004","0.001","9.7942","0.0004","17.4116","0.0008","90","","107.633","0.003","90","","1950.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","","- C36 H38 Cl4 Cu2 N6 O2 -","- C36 H38 Cl4 Cu2 N6 O2 -","- C72 H76 Cl8 Cu4 N12 O4 -","2","0.5","LH4039","Naugle, Mercedes S.; Keller, Brittany T.; Zeller, Matthias; Zaleski, Curtis M.","Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","IUCrData","2018","3","8","x181186","","10.1107/S2414314618011860","","","0.71073","MoKα","","0.0448","0.0401","","","0.1036","0.1066","","","","","","1.037","","","","has coordinates,has Fobs","227673","2020-10-21","18:00:00",""
"1552860","11.7633","0.0004","12.5731","0.0004","13.7249","0.0004","87.283","0.002","75.537","0.002","67.45","0.002","1812.66","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum","","- C34 H45 Li Mo N4 O4 P2 -","- C34 H45 Li Mo N4 O4 P2 -","- C68 H90 Li2 Mo2 N8 O8 P4 -","2","1","IS4030","Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum","IUCrData","2018","3","8","x181149","","10.1107/S2414314618011495","","","0.71073","MoKα","","0.0266","0.0226","","","0.0597","0.0605","","","","","","1.029","","","","has coordinates,has Fobs","227674","2020-10-21","18:00:00",""
"1553182","11.3454","0.0004","13.013","0.0005","12.3899","0.0004","90","","91.009","0.002","90","","1828.93","0.11","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C80 H76 N4 O28 -","4","1","","Kulkarni, Anand M.; Srinivas, Kolluru; Deshpande, Mukund V.; Ramana, Chepuri V.","Cu-catalyzed sequential C–N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones","Organic Chemistry Frontiers","2016","3","1","43","","10.1039/C5QO00248F","","","0.71073","MoKα","","0.0518","0.0435","","","0.113","0.1195","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553195","7.6889","0.0002","15.5382","0.0005","16.4272","0.0006","90","","90","","90","","1962.58","0.11","99.8","0.5","99.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang","Stereodivergent and enantioselective total syntheses of isochaetominines A–C and four pairs of isochaetominine C enantiomers: a six-step approach","Organic Chemistry Frontiers","2016","3","1","24","","10.1039/C5QO00298B","","x-ray","1.54184","CuKα","","0.0459","0.0413","","","0.0978","0.1021","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553196","9.32","0.0006","10.5489","0.0006","12.1772","0.0007","95.818","0.005","90.49","0.005","111.805","0.006","1104.44","0.12","173","0.14","173","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C48 H52 N8 O12 -","2","1","","Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang","Stereodivergent and enantioselective total syntheses of isochaetominines A–C and four pairs of isochaetominine C enantiomers: a six-step approach","Organic Chemistry Frontiers","2016","3","1","24","","10.1039/C5QO00298B","","","1.54184","CuKα","","0.05","0.038","","","0.0869","0.0932","","","","","","0.96","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553197","8.8508","0.0008","10.0352","0.0008","10.7879","0.0009","116.066","0.0015","107.114","0.0016","90.5266","0.0017","811.83","0.12","100","2","99.65","","","","","","","","","5","P -1","-P 1","2","20","()-(1S,11S,13R,14R,Z)-14-Bromo-11,13-dimethoxy-15,15-dimethyl-2.5.12-trioxa-4-azatricyclo[9.2.1.13,13]pentadec-3-ene","","- C15 H24 Br N O5 -","- C15 H24 Br N O5 -","- C30 H48 Br2 N2 O10 -","2","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0483","0.0365","","","0.0694","0.0722","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553198","11.7775","0.0008","8.7429","0.0006","16.8595","0.0012","90","","105.852","0.0013","90","","1670","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","11","()-(1R,11R,12S)-1,12-Dihydroxy-2,2-dimethyl-5.14-dioxa-4-azabicyclo[9.2.1]tetradecan-3-one","","- C14 H23 Cl2 N O5 -","- C14 H23 Cl2 N O5 -","- C56 H92 Cl8 N4 O20 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.055","0.0401","","","0.1167","0.124","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553199","11.3134","0.0005","9.429","0.0004","12.7345","0.0006","90","","110.991","0.0008","90","","1268.29","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","10","()-10,10-dimethylhexahydro-2H-pyrrolo[1,2-b][1,2]oxazecine-7,9,11(10H)-trione","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0791","0.0672","","","0.2501","0.2774","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553200","17.0197","0.0005","16.271","0.0005","10.1414","0.0003","90","","99.0774","0.0005","90","","2773.26","0.14","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12","12-Acetyl-2,2-Dimethyl-5.14-dioxa-4-azabicyclo[9.2.1]tetradeca-1(13),11-dien-3-one","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C120 H168 N8 O32 -","8","2","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.047","0.0362","","","0.1193","0.1275","","","","","","1","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553201","10.9816","0.0005","9.2222","0.0004","13.0751","0.0006","90","","107.689","0.0008","90","","1261.57","0.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9","()-(1S,11R,12S,14S)-11-Hydroxy-10,10-dimethyl-7,13,15-trioxa-8-azatetracyclo[9.3.1.01,8.012,14]pentadecan-9-one","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Acharya, A.; Eickhoff, J. A.; Chen, K.; Catalano, V. J.; Jeffrey, C. S.","Access to bicyclic hydroxamate macrocycles via intramolecular aza-(4 + 3) cyloaddition reactions of aza-oxyallylic cation intermediates","Organic Chemistry Frontiers","2016","3","3","330","","10.1039/C5QO00315F","","","0.71073","MoKα","","0.0605","0.043","","","0.1239","0.1382","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553202","13.083","0.003","9.848","0.002","18.876","0.004","90","","93.26","0.03","90","","2428.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IrNC","IrNC","","- C25 H32 Cl Ir N2 -","- C25 H32 Cl Ir N2 -","- C100 H128 Cl4 Ir4 N8 -","4","1","","Tang, Guo-Dong; Pan, Cheng-Ling; Li, Xingwei","Iridium(iii)- and rhodium(iii)-catalyzed coupling of anilines with α-diazoesters via chelation-assisted C‒H activation","Organic Chemistry Frontiers","2016","3","1","87","","10.1039/C5QO00316D","","","0.71073","MoKα","","0.0331","0.0232","","","0.0533","0.0575","","","","","","1.016","","","","has coordinates","233690","2020-10-21","18:00:00",""
"1553203","15.5737","0.0005","12.7774","0.0004","11.4615","0.0003","90","","91.399","0.003","90","","2280.06","0.12","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TNY-TE-09","Benzoic acid 2-(cyclohexyl-phenyl-amino)-1-phenyl-ethyl ester","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C108 H116 N4 O8 -","4","1","","Roy, Tony; Bhojgude, Sachin Suresh; Kaicharla, Trinadh; Thangaraj, Manikandan; Garai, Bikash; Biju, Akkattu T.","Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines","Organic Chemistry Frontiers","2016","3","1","71","","10.1039/C5QO00328H","","","0.71073","MoKα","","0.118","0.0678","","","0.1884","0.2219","","","","","","1.095","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553204","9.8964","0.0016","7.7982","0.0013","13.421","0.002","90","","91.267","0.002","90","","1035.5","0.3","301","2","301","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-((1R*,2R*)-2-Hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Ling, Jesse; Lam, Sze Kui; Lo, Brian; Lam, Sarah; Wong, Wing-Tak; Sun, Jian; Chen, Guanhua; Chiu, Pauline","Epoxy and aziridinyl enolsilanes in diastereoselective inter- and intramolecular Friedel–Crafts alkylations","Organic Chemistry Frontiers","2016","3","4","457","","10.1039/C5QO00333D","","","0.71073","MoKα","","0.0474","0.0401","","","0.1101","0.1162","","","","","","1.048","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553205","11.4861","0.0004","14.0594","0.0004","13.486","0.0004","90","","111.393","0.004","90","","2027.77","0.12","293","2","293","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C22 H20 Cl N O2 S -","- C22 H20 Cl N O2 S -","- C88 H80 Cl4 N4 O8 S4 -","4","1","","Prabagar, B.; Nayak, Sanatan; Mallick, Rajendra K.; Prasad, Rangu; Sahoo, Akhila K.","Triphenylphosphine promoted regio and stereoselective α-halogenation of ynamides","Organic Chemistry Frontiers","2016","3","1","110","","10.1039/C5QO00345H","","","1.54184","CuKα","","0.0533","0.053","","","0.1449","0.1455","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553206","11.0065","0.0009","8.788","0.0007","14.4392","0.0012","90","","99.424","0.001","90","","1377.78","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (1S,3R,3aS,8bS)-1-(4-methoxyphenyl)-3-methyl-8b-nitro-4-tosyl-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole-3-carboxylate","","- C27 H28 Br N3 O7 S -","- C27 H28 Br N3 O7 S -","- C54 H56 Br2 N6 O14 S2 -","2","1","","Gerten, Anthony L.; Stanley, Levi M.","Enantioselective dearomative [3 + 2] cycloadditions of indoles with azomethine ylides derived from alanine imino esters","Organic Chemistry Frontiers","2016","3","3","339","","10.1039/C5QO00346F","","","0.71073","MoKα","","0.0334","0.0275","","","0.0633","0.0814","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553207","6.2154","0.0003","20.2473","0.0013","22.9882","0.0017","90","","90","","90","","2893","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cl O6 -","- C36 H29 Cl O6 -","- C144 H116 Cl4 O24 -","4","1","","Fu, Zhenqian; Wu, Xingxing; Chi, Yonggui Robin","Rapid access to bicyclic δ-lactones via carbene-catalyzed activation and cascade reaction of unsaturated carboxylic esters","Organic Chemistry Frontiers","2016","3","2","145","","10.1039/C5QO00348B","","","0.71073","MoKα","","0.0801","0.0507","","","0.1004","0.1167","","","","","","1.021","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553208","7.1121","0.0007","8.5933","0.001","18.426","0.002","94.339","0.01","100.719","0.01","105.418","0.01","1057.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C48 H50 N6 O4 -","2","1","","Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing","Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes","Organic Chemistry Frontiers","2016","3","2","184","","10.1039/C5QO00352K","","","0.71073","MoKα","","0.1438","0.0566","","","0.1192","0.1338","","","","","","0.85","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553209","15.8733","0.0011","11.8466","0.0006","12.3385","0.0008","90","","99.402","0.006","90","","2289","0.2","293.69","0.1","293.69","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing","Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes","Organic Chemistry Frontiers","2016","3","2","184","","10.1039/C5QO00352K","","x-ray","0.71073","MoKα","","0.1327","0.0649","","","0.1287","0.1683","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553210","9.1241","0.0002","10.2171","0.0002","11.3635","0.0008","78.194","0.006","82.379","0.006","72.418","0.005","985.63","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 Br2 N2 -","- C22 H24 Br2 N2 -","- C44 H48 Br4 N4 -","2","1","","Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan","Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I)","Organic Chemistry Frontiers","2016","3","3","324","","10.1039/C5QO00354G","","","1.54178","CuKα","","0.0546","0.0466","","","0.1153","0.1361","","","","","","1.175","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553211","7.4987","0.0001","7.9073","0.0001","14.5997","0.001","77.721","0.006","79.566","0.006","69.529","0.005","787.06","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan","Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I)","Organic Chemistry Frontiers","2016","3","3","324","","10.1039/C5QO00354G","","","1.54178","CuKα","","0.0657","0.056","","","0.1397","0.1652","","","","","","1.217","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553212","10.016","0.005","10.025","0.004","21.596","0.01","90","","90","","90","","2168.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C88 H128 N8 O16 -","4","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0399","0.0351","","","0.0918","0.0954","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553213","10.351","0.003","11.942","0.003","26.963","0.006","90","","90","","90","","3332.9","1.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H25 Cl N2 O2 -","- C17 H25 Cl N2 O2 -","- C136 H200 Cl8 N16 O16 -","8","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0725","0.0543","","","0.1086","0.1165","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553214","12.0005","0.0005","9.4272","0.0004","25.9285","0.0011","90","","101.178","0.001","90","","2877.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl6 I N2 -","- C23 H27 Cl6 I N2 -","- C92 H108 Cl24 I4 N8 -","4","1","","Desens, Willi; Kohrt, Christina; Spannenberg, Anke; Werner, Thomas","A novel zinc based binary catalytic system for CO2utilization under mild conditions","Organic Chemistry Frontiers","2016","3","2","156","","10.1039/C5QO00356C","","","0.71073","MoKα","","0.0319","0.0258","","","0.057","0.0603","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553215","8.3061","0.0002","9.701","0.0002","20.7173","0.0006","90","","90","","90","","1669.35","0.07","294.39","0.1","294.39","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl2 N O4 -","- C16 H17 Cl2 N O4 -","- C64 H68 Cl8 N4 O16 -","4","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.051","0.0478","","","0.1284","0.1329","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553216","8.3327","0.0007","9.5492","0.0009","11.4501","0.001","90","","108.133","0.009","90","","865.84","0.14","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 Br2 N O4 -","- C16 H17 Br2 N O4 -","- C32 H34 Br4 N2 O8 -","2","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.0479","0.0459","","","0.1264","0.129","","","","","","1.082","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553217","7.1154","0.0003","11.1585","0.0005","11.1645","0.0005","107.811","0.003","95.51","0.003","91.238","0.003","838.83","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Zhang, Wen-Zhen; Yang, Ming-Wang; Yang, Xu-Tong; Shi, Ling-Long; Wang, Hui-Bo; Lu, Xiao-Bing","Double carboxylation of o-alkynyl acetophenone with carbon dioxide","Organic Chemistry Frontiers","2016","3","2","217","","10.1039/C5QO00374A","","","0.71073","MoKα","","0.0621","0.0495","","","0.121","0.1331","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553218","8.6446","0.0011","10.8046","0.0015","24.326","0.003","90","","99.922","0.002","90","","2238.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C100 H108 N4 O8 S4 -","4","1","","Li, Jiawen; Qin, Guiping; Liu, Yang; Huang, Hanmin","Palladium-catalysed coupling reaction of aminals with N-sulfonyl hydrazones to give allylic sulfones","Organic Chemistry Frontiers","2016","3","2","259","","10.1039/C5QO00381D","","","0.71073","MoKα","","0.0589","0.0399","","","0.0707","0.0781","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553219","7.5687","0.0005","30.831","0.002","8.0907","0.0006","90","","90.916","0.002","90","","1887.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O2 Si -","- C20 H28 O2 Si -","- C80 H112 O8 Si4 -","4","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.0725","0.0535","","","0.13","0.1403","","","","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553220","7.3733","0.0006","11.2959","0.0009","14.9182","0.001","109.524","0.003","92.663","0.003","101.436","0.003","1139.24","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 O -","- C14 H11 F3 O -","- C56 H44 F12 O4 -","4","2","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.1258","0.0636","","","0.1493","0.1873","","","","","","1.021","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553221","15.9874","0.0007","10.2887","0.0004","13.7969","0.0006","90","","108.28","0.001","90","","2154.92","0.16","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.0706","0.0506","","","0.1169","0.1317","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553222","34.01","0.05","9.158","0.013","7.196","0.01","90","","90","","90","","2241","6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","no","3-fluoro-6,7,8,9-tetrahydrobenzo[a]azulen-10(5H)-one","","- C14 H13 F O -","- C14 H13 F O -","- C112 H104 F8 O8 -","8","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.094","0.047","","","0.1189","0.1405","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553223","9.9764","0.0005","11.8382","0.0006","12.5698","0.0006","115.716","0.002","100.125","0.002","93.876","0.002","1299.22","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","7-(2-(diphenylphosphino)phenyl)-7H-benzo[c]carbazole","","- C34 H24 N P -","- C34 H24 N P -","- C68 H48 N2 P2 -","2","1","","Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee","A benzo[c]carbazolyl-based phosphine ligand for Pd-catalyzed tetra-ortho-substituted biaryl syntheses","Organic Chemistry Frontiers","2016","3","2","273","","10.1039/C5QO00400D","","","0.71073","MoKα","","0.0766","0.0595","","","0.1549","0.168","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553224","10.342","0.002","12.672","0.003","13.549","0.003","90","","90","","90","","1775.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F N O5 S -","- C19 H16 F N O5 S -","- C76 H64 F4 N4 O20 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama–Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0294","0.0273","","","0.072","0.0739","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553225","7.1956","0.0003","9.6833","0.0003","23.2873","0.0008","90","","90","","90","","1622.59","0.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 N2 O4 S -","- C17 H14 F2 N2 O4 S -","- C68 H56 F8 N8 O16 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama–Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0337","0.0314","","","0.0781","0.0801","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553226","8.9936","0.0003","20.9137","0.0005","10.6975","0.0004","90","","112.585","0.004","90","","1857.78","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 Cl2 N2 O -","- C23 H14 Cl2 N2 O -","- C92 H56 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0479","0.0417","","","0.0991","0.1029","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553227","6.3775","0.0005","12.1686","0.001","13.4121","0.0008","80.819","0.006","88.955","0.005","75.537","0.007","994.7","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl2 N2 O2 -","- C24 H14 Cl2 N2 O2 -","- C48 H28 Cl4 N4 O4 -","2","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0623","0.0475","","","0.1165","0.1292","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553228","5.2005","0.0005","13.556","0.003","15.6215","0.0013","73.584","0.012","85.49","0.008","87.12","0.012","1052.7","0.3","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl2 N2 O2 -","- C24 H14 Cl2 N2 O2 -","- C48 H28 Cl4 N4 O4 -","2","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","x-ray","1.54184","CuKα","","0.1141","0.0698","","","0.1908","0.2294","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553229","8.0462","0.0005","9.2337","0.0006","26.6656","0.0013","90","","90","","90","","1981.2","0.2","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C96 H68 Cl4 N8 O8 -","4","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)–N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0529","0.0399","","","0.1013","0.1123","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553230","13.6461","0.0019","10.723","0.0015","22.268","0.004","90","","90.915","0.002","90","","3258","0.9","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Wun1m","","- C20 H15 N3 O3 -","- C20 H15 N3 O3 -","- C160 H120 N24 O24 -","8","1","","Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G.","Palladium-catalyzed arylation of β-methylene C(sp3)–H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids","Organic Chemistry Frontiers","2016","3","5","561","","10.1039/C5QO00421G","","","0.71073","MoKα","","0.159","0.153","","","0.3373","0.3402","","","","","","2.199","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553231","7.6839","0.0002","11.0556","0.0003","12.4153","0.0004","90","","106.486","0.004","90","","1011.32","0.05","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O5 -","- C23 H18 N2 O5 -","- C46 H36 N4 O10 -","2","1","","Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong","Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids","Organic Chemistry Frontiers","2016","3","4","470","","10.1039/C5QO00428D","","","1.54184","CuKα","","0.0443","0.0395","","","0.105","0.1091","","","","","","1.048","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553232","13.83","0.0011","21.2702","0.0018","14.1309","0.0013","90","","119.452","0.003","90","","3619.6","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N O4 P S -","- C38 H34 N O4 P S -","- C152 H136 N4 O16 P4 S4 -","4","1","","Zhu, Yi-Long; Wang, De-Cai; Jiang, Bo; Hao, Wen-Juan; Wei, Ping; Wang, Ai-Fang; Qiu, Jiang-Kai; Tu, Shu-Jiang","Metal-free oxidative hydrophosphinylation of 1,7-enynes","Organic Chemistry Frontiers","2016","3","3","385","","10.1039/C5QO00430F","","","0.71073","MoKα","","0.2249","0.0994","","","0.2293","0.249","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553233","20.218","0.004","9.2121","0.0019","15.306","0.003","90","","95.315","0.004","90","","2838.5","1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N O3 S -","- C13 H14 Br N O3 S -","- C104 H112 Br8 N8 O24 S8 -","8","2","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0444","0.038","","","0.0774","0.081","","","","","","1.106","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553234","7.8592","0.0017","9.0905","0.0018","9.748","0.002","79.19","0.007","89.1","0.008","77.31","0.006","667.1","0.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br N O3 S -","- C13 H14 Br N O3 S -","- C26 H28 Br2 N2 O6 S2 -","2","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0271","0.0258","","","0.0625","0.0632","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553235","11.83","0.002","9.2659","0.0019","14.59","0.003","90","","97.6","0.03","90","","1585.2","0.5","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0436","0.0387","","","0.0787","0.0807","","","","","","1.155","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553236","8.3045","0.0015","9.415","0.002","11.19","0.002","87.089","0.01","73.797","0.009","70.74","0.07","792.3","0.4","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C32 H28 Br2 N2 O6 S2 -","2","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0361","0.0333","","","0.0834","0.085","","","","","","1.152","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553237","15.825","0.004","8.982","0.003","11.426","0.006","90","","109.905","0.004","90","","1527.1","1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Song, Lu; Luo, Sanzhong; Cheng, Jin-Pei","Visible-light promoted intermolecular halofunctionalization of alkenes with N-halogen saccharins","Organic Chemistry Frontiers","2016","3","4","447","","10.1039/C5QO00432B","","","0.71073","MoKα","","0.0748","0.0663","","","0.1402","0.1474","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553238","8.1343","0.0014","27.626","0.005","8.8172","0.0015","90","","97.223","0.003","90","","1965.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","2","","Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi","Pd(ii)-catalyzed β-C–H arylation of O-methyl ketoximes with iodoarenes","Organic Chemistry Frontiers","2016","3","3","380","","10.1039/C5QO00438A","","","0.71073","MoKα","","0.0695","0.0488","","","0.1228","0.1403","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553418","5.9396","0.0012","11.302","0.002","13.413","0.003","96.05","0.03","99.59","0.03","101.21","0.03","862","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Br F N O -","- C21 H15 Br F N O -","- C42 H30 Br2 F2 N2 O2 -","2","1","","Sheng, Jinyu; Su, Xiang; Cao, Chengyao; Chen, Chao","Synthesis of benzo[1,3]oxazines via copper(i)-catalyzed cascade annulation of nitriles, aldehydes and diaryliodonium salts","Organic Chemistry Frontiers","2016","3","4","501","","10.1039/C6QO00012F","","","0.71073","MoKα","","0.0534","0.0469","","","0.1183","0.1315","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553419","9.1158","0.0003","9.8126","0.0003","28.3116","0.0009","90","","90","","90","","2532.46","0.14","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F3 N O5 -","- C28 H22 F3 N O5 -","- C112 H88 F12 N4 O20 -","4","1","","Gao, Tai-Ping; Liu, Dan; Lin, Jun-Bing; Hu, Xiu-Qin; Wang, Zhu-Yin; Xu, Peng-Fei","Direct construction of chiral quaternary dihydropyranones through highly enantioselective organocatalytic hetero-Diels–Alder reactions of olefinic azlactones","Organic Chemistry Frontiers","2016","3","5","598","","10.1039/C6QO00018E","","","1.54184","CuKα","","0.0838","0.0533","","","0.12","0.1481","","","","","","1.013","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553420","12.5809","0.0003","8.9728","0.0002","13.319","0.0003","90","","93.554","","90","","1500.64","0.06","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H48 N2 O5 S Si -","- C25 H48 N2 O5 S Si -","- C50 H96 N4 O10 S2 Si2 -","2","1","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.1561","0.0612","","","0.1222","0.2001","","","","","","0.9634","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1553421","11.701","0.002","14.628","0.003","25.939","0.005","90","","90","","90","","4439.8","1.5","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl N2 O4.5 S -","- C20 H28 Cl N2 O4.5 S -","- C160 H224 Cl8 N16 O36 S8 -","8","2","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.093","0.0653","","","0.1515","0.1711","","","","","","1.0281","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1553422","22.824","0.001","22.583","0.001","47.813","0.001","90","","90","","90","","24644.5","1.6","100","1","100","1","","","","","","","","7","P n n n :2","-P 2ab 2bc","48","","","","- C250 H238 F24 N18 O12 P4 Ru2 -","- C190 H178 F24 N18 O12 P4 Ru2 -","- C760 H712 F96 N72 O48 P16 Ru8 -","4","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.8","synchrotronX-rays","","0.175","0.1536","","","0.4615","0.494","","","","","","2.178","","","","has coordinates","234980","2020-10-21","18:00:00",""
"1553423","20.3614","0.0003","15.5902","0.0003","30.5936","0.0005","90","","94.4504","0.0009","90","","9682.3","0.3","160","1","160","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H102 F12 N10 O8 P2 Ru -","- C82 H90 F12 N6 O8 P2 Ru -","- C328 H360 F48 N24 O32 P8 Ru4 -","4","1","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.1644","0.1001","","","0.2714","0.3174","","","","","","1.032","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553424","11.0301","0.0002","12.3939","0.0004","21.8715","0.0007","76.878","0.0012","78.788","0.0019","87.305","0.002","2856.3","0.14","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C102 H130 F12 N10 O26 S4 Zn2 -","- C102 H130 F12 N10 O26 S4 Zn2 -","- C102 H130 F12 N10 O26 S4 Zn2 -","1","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.0704","0.0495","","","0.115","0.1256","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553425","15.004","0.0005","15.1525","0.0004","21.5611","0.0007","98.4023","0.0018","98.0121","0.0012","108.321","0.002","4512.9","0.3","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C155 H166 Cl22 F24 N12 O12 P4 Ru2 -","- C144 H144 F24 N12 O12 P4 Ru2 -","- C144 H144 F24 N12 O12 P4 Ru2 -","1","0.5","","Klosterman, Jeremy K.; Veliks, Janis; Frantz, Derik K.; Yasui, Yoshizumi; Loepfe, Michael; Zysman-Colman, Eli; Linden, Anthony; Siegel, Jay S.","Conformations of large macrocycles and ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","661","","10.1039/C6QO00024J","","","0.71073","MoKα","","0.0964","0.0627","","","0.1493","0.1674","","","","","","1.023","","","","has coordinates,has disorder","234980","2020-10-21","18:00:00",""
"1553426","14.556","0.001","24.668","0.001","26.949","0.001","90","","93.27","0.01","90","","9660.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H98 Br2 F12 N16 O10 P2 Ru -","- C78 H68 Br2 F12 N6 O10 P2 Ru -","- C312 H272 Br8 F48 N24 O40 P8 Ru4 -","4","1","","Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S.","Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","667","","10.1039/C6QO00025H","","","0.6916","synchrotronX-rays","","0.0797","0.0693","","","0.2007","0.2072","","","","","","1.054","","","","has coordinates","234983","2020-10-21","18:00:00",""
"1553427","13.6711","0.0002","16.967","0.0002","22.4266","0.0003","71.073","0.001","82.622","0.001","68.288","0.001","4571.45","0.11","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C180 H194 F24 N22 O18 P4 Ru2 -","- C168 H176 F24 N16 O18 P4 Ru2 -","- C168 H176 F24 N16 O18 P4 Ru2 -","1","0.5","","Veliks, Janis; Seifert, Helen M.; Frantz, Derik K.; Klosterman, Jeremy K.; Tseng, Jui-Chang; Linden, Anthony; Siegel, Jay S.","Towards the molecular Borromean link with three unequal rings: double-threaded ruthenium(ii) ring-in-ring complexes","Organic Chemistry Frontiers","2016","3","6","667","","10.1039/C6QO00025H","","","1.54184","CuKα","","0.0803","0.069","","","0.2021","0.2134","","","","","","1.072","","","","has coordinates,has disorder","234983","2020-10-21","18:00:00",""
"1553428","19.5895","0.001","7.0388","0.0003","9.2405","0.0004","90","","91.626","0.004","90","","1273.63","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao","Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2016","3","6","714","","10.1039/C6QO00034G","","x-ray","0.71073","MoKα","","0.0674","0.0452","","","0.0972","0.1067","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553429","8.144","0.0006","14.5913","0.001","11.013","0.0007","90","","94.901","0.007","90","","1303.91","0.16","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Yu, Jingxun; Ma, Haichen; Yao, Hongliang; Cheng, Hang; Tong, Rongbiao","Diastereoselective and regiodivergent oxa-[3 + 2] cycloaddition of Achmatowicz products and cyclic 1,3-dicarbonyl compounds","Organic Chemistry Frontiers","2016","3","6","714","","10.1039/C6QO00034G","","x-ray","0.71073","MoKα","","0.1435","0.0596","","","0.0906","0.1137","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553430","8.1449","0.0002","10.8999","0.0004","16.4545","0.0006","90","","90","","90","","1460.81","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O2 -","- C17 H16 Cl N O2 -","- C68 H64 Cl4 N4 O8 -","4","1","","Vyas, Vijyesh K.; Bhanage, Bhalchandra M.","Asymmetric transfer hydrogenation of seven membered tricyclic ketones: N-substituted dibenzo[b,e]azepine-6,11-dione driven by nonclassical CH/O interactions","Organic Chemistry Frontiers","2016","3","5","614","","10.1039/C6QO00036C","","x-ray","1.54184","CuKα","","0.0619","0.05","","","0.1187","0.1301","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553431","9.837","0.002","10.113","0.002","14.456","0.003","90","","106.063","0.008","90","","1382","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N4 O3 -","- C31 H28 N4 O3 -","- C62 H56 N8 O6 -","2","1","","Zhu, Yi; Li, Yao; Meng, Qingbin; Li, Xin","An organocatalytic enantioselective vinylogous Mannich reaction of α,α-dicyanoolefins with isatin N-Boc ketimines","Organic Chemistry Frontiers","2016","3","6","709","","10.1039/C6QO00038J","","","1.54187","CuKα","","0.0283","0.0278","","","0.0742","0.0783","","","","","","1.069","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553432","7.7032","0.001","16.441","0.002","14.9629","0.0018","90","","90","","90","","1895","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4a","4a","","- C23 H15 Cl3 N2 O2 -","- C23 H15 Cl3 N2 O2 -","- C92 H60 Cl12 N8 O8 -","4","1","","Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen","Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C–H and O–H cross-dehydrogenative coupling","Organic Chemistry Frontiers","2016","3","7","799","","10.1039/C6QO00040A","","","0.71","MoKα","","0.0947","0.0629","","","0.1296","0.1592","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553433","7.147","0.0016","7.9449","0.0018","16.405","0.004","101.767","0.002","96.018","0.002","106.731","0.0018","859.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","3k","3k","","- C21 H12 Cl N3 O2 -","- C21 H12 Cl N3 O2 -","- C42 H24 Cl2 N6 O4 -","2","1","","Zhang, Zeyuan; Dai, Zhen; Ma, Xinkun; Liu, Yihan; Ma, Xiaojun; Li, Wanli; Ma, Chen","Cu-catalyzed one-pot synthesis of fused oxazepinone derivatives via sp2 C–H and O–H cross-dehydrogenative coupling","Organic Chemistry Frontiers","2016","3","7","799","","10.1039/C6QO00040A","","","0.71","MoKα","","0.0561","0.0422","","","0.141","0.155","","","","","","1.16","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553434","9.986","0.007","15.521","0.011","8.74","0.006","90","","101.027","0.009","90","","1329.6","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O2 -","- C16 H11 Br O2 -","- C64 H44 Br4 O8 -","4","1","","Qiu, Guanyinsheng; Liu, Tong; Ding, Qiuping","Tandem oxidative radical brominative addition of activated alkynes and spirocyclization: switchable synthesis of 3-bromocoumarins and 3-bromo spiro-[4,5] trienone","Organic Chemistry Frontiers","2016","3","4","510","","10.1039/C6QO00041J","","","0.71073","MoKα","","0.0571","0.0369","","","0.0878","0.0934","","","","","","0.896","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553435","6.3266","0.0006","11.3868","0.0011","18.6894","0.0019","94.305","0.002","99.144","0.002","100.166","0.002","1301","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H24 O3 -","- C37 H24 O3 -","- C74 H48 O6 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0539","0.047","","","0.1316","0.1432","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553436","6.514","0.0009","11.9444","0.0016","17.215","0.002","93.28","0.003","94.949","0.003","104.241","0.003","1289.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O2 -","- C37 H26 O2 -","- C74 H52 O4 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0549","0.045","","","0.1126","0.1179","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553437","12.8713","0.0007","12.9061","0.0008","18.4438","0.0011","83.491","0.001","70.221","0.001","87.197","0.001","2864.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N O3.5 -","- C38 H27 N O3.5 -","- C152 H108 N4 O14 -","4","2","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0783","0.0591","","","0.1486","0.164","","","","","","1.035","","","","has coordinates,has disorder","234995","2020-10-21","18:00:00",""
"1553438","9.5936","0.0012","9.4163","0.0012","34.688","0.005","90","","93.15","0.003","90","","3128.8","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 O6 -","- C41 H34 O6 -","- C164 H136 O24 -","4","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.068","0.0483","","","0.1235","0.1367","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553439","9.837","0.002","10.766","0.002","13.71","0.003","87.68","0.03","77.4","0.03","71.54","0.03","1343.4","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0713","0.0533","","","0.1418","0.1527","","","","","","1.054","","","","has coordinates","234995","2020-10-21","18:00:00",""
"1553440","26.128","0.002","8.1552","0.0008","21.487","0.002","90","","119.724","0.002","90","","3976","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 O -","- C29 H20 O -","- C232 H160 O8 -","8","1","","Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian","Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes","Organic Chemistry Frontiers","2016","3","5","603","","10.1039/C6QO00045B","","","0.71073","MoKα","","0.0664","0.0532","","","0.1243","0.1312","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553441","19.7803","0.0006","8.925","0.0003","17.1219","0.0005","90","","93.062","0.001","90","","3018.37","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C71 H64 O24 -","- C71 H64 O24 -","- C142 H128 O48 -","2","0.5","","Leowanawat, Pawaret; Nowak-Król, Agnieszka; Würthner, Frank","Tetramethoxy-bay-substituted perylene bisimides by copper-mediated cross-coupling","Organic Chemistry Frontiers","2016","3","5","537","","10.1039/C6QO00047A","","","1.54178","CuKα","","0.0541","0.0448","","","0.1018","0.108","","","","","","1.081","","","","has coordinates,has disorder","234997","2020-10-21","18:00:00",""
"1553442","13.1094","0.0007","8.943","0.0005","14.6031","0.0009","90","","105.214","0.002","90","","1652.03","0.16","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","1","","Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke","Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles","Organic Chemistry Frontiers","2016","3","5","609","","10.1039/C6QO00053C","","","0.71073","MoKα","","0.053","0.0421","","","0.1089","0.1168","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553443","11.6939","0.0007","9.4598","0.0005","16.9069","0.001","90","","91.481","0.003","90","","1869.65","0.19","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 S -","- C23 H24 N2 S -","- C92 H96 N8 S4 -","4","1","","Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke","Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles","Organic Chemistry Frontiers","2016","3","5","609","","10.1039/C6QO00053C","","","0.71073","MoKα","","0.0851","0.0497","","","0.1172","0.1342","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553444","5.9262","0.0004","8.0475","0.0005","31.957","0.002","90","","90","","90","","1524.06","0.17","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Phanindrudu, Mandalaparthi; Tiwari, Dipak Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar","Magnetically separable nano-copper catalyzed unprecedented stereoselective synthesis of E-vinyl sulfones from tosylmethyl isocyanide and alkynes: TosMIC as a source of the sulfonyl group","Organic Chemistry Frontiers","2016","3","7","795","","10.1039/C6QO00063K","","","0.71073","MoKα","","0.089","0.0663","","","0.1648","0.1804","","","","","","1.117","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553445","13.4028","0.0008","11.2931","0.0006","14.0439","0.0008","90","","91.99","0.002","90","","2124.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Br2 N2 O2 -","- C23 H20 Br2 N2 O2 -","- C92 H80 Br8 N8 O8 -","4","1","","Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone","Organic Chemistry Frontiers","2016","3","6","759","","10.1039/C6QO00087H","","","0.71073","MoKα","","0.0723","0.0423","","","0.1003","0.116","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553446","12.5457","0.0006","22.382","0.001","12.6621","0.0005","90","","92.052","0.001","90","","3553.2","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H56 Au Cl N O P S -","- C36 H56 Au Cl N O P S -","- C144 H224 Au4 Cl4 N4 O4 P4 S4 -","4","2","","Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone","Organic Chemistry Frontiers","2016","3","6","759","","10.1039/C6QO00087H","","","0.71073","MoKα","","0.0372","0.033","","","0.0732","0.0763","","","","","","1.044","","","","has coordinates","235003","2020-10-21","18:00:00",""
"1553447","21.51","0.02","10.73","0.01","19.7","0.019","90","","113.492","0.012","90","","4170","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C208 H168 N8 O24 S8 -","8","1","","Gong, Xinxing; Xia, Hongguang; Wu, Jie","A palladium-catalyzed tandem reaction of 2-alkynylbenzenesulfonamides with 2-(2-bromoarylidene)cyclobutanones","Organic Chemistry Frontiers","2016","3","6","697","","10.1039/C6QO00091F","","","0.71073","MoKα","","0.1656","0.1158","","","0.3092","0.3265","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553448","10.5273","0.0012","11.4221","0.0014","34.217","0.004","90.072","0.003","98.137","0.003","105.697","0.003","3917.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 F N4 -","- C23 H21 F N4 -","- C184 H168 F8 N32 -","8","4","","Jiang, Yu; Wang, Qiang; Sun, Run; Tang, Xiang-Ying; Shi, Min","Base-induced synthesis of N-dialkylaminomethyl-2H-1,2,3-triazoles from N-sulfonyl-1,2,3-triazoles","Organic Chemistry Frontiers","2016","3","6","744","","10.1039/C6QO00102E","","","0.71073","MoKα","","0.1396","0.0679","","","0.1742","0.2272","","","","","","0.958","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553449","9.02156","0.00013","9.44417","0.00011","30.948","0.0004","90","","90","","90","","2636.81","0.06","291.29","0.1","291.29","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N O6 -","- C32 H25 N O5.955 -","- C128 H100 N4 O23.82 -","4","1","","Ran, Guang-Yao; Wang, Pan; Du, Wei; Chen, Ying-Chun","α-Regioselective [3 + 2] annulations with Morita‒Baylis‒Hillman carbonates of isatins and 2-nitro-1,3-enynes","Organic Chemistry Frontiers","2016","3","7","861","","10.1039/C6QO00118A","","x-ray","1.54184","CuKα","","0.0536","0.0532","","","0.1478","0.1485","","","","","","1.029","","","","has coordinates,has disorder","235009","2020-10-21","18:00:00",""
"1553450","7.187","0.003","10.356","0.004","11.075","0.004","66.214","0.01","86.273","0.017","89.284","0.017","752.6","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N S -","- C21 H13 N S -","- C42 H26 N2 S2 -","2","1","","Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming","Copper-catalyzed tandem arylation–cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles","Organic Chemistry Frontiers","2016","3","7","870","","10.1039/C6QO00133E","","","0.71073","MoKα","","0.0659","0.0583","","","0.1187","0.1224","","","","","","1.176","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553451","11.0789","0.0015","11.6353","0.0015","16.29","0.003","93.084","0.009","106.29","0.01","115.259","0.008","1786.1","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","2","","Wen, Li-Rong; Shen, Qiang-Yu; Guo, Wei-Si; Li, Ming","Copper-catalyzed tandem arylation–cyclization of 2-alkynylaryl isothiocyanates with diaryliodonium salts: an efficient synthesis of thiochromeno[2,3-b]indoles","Organic Chemistry Frontiers","2016","3","7","870","","10.1039/C6QO00133E","","","0.71073","MoKα","","0.0546","0.0487","","","0.16","0.1651","","","","","","1.227","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553452","13.5013","0.001","18.6052","0.0013","13.6121","0.0009","90","","106.649","0.008","90","","3275.9","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C152 H136 N8 O40 -","8","2","","Görgen née Boersch, Christina; Lutsenko, Kiril; Merkul, Eugen; Frank, Walter; Müller, Thomas J. J.","Catalytic one-pot synthesis of 4-(hetero)aryl substituted 5-(2-oxoethyl) oxazol-2(3H)-ones by coupling–isomerization–elimination (CIE) sequence","Organic Chemistry Frontiers","2016","3","7","887","","10.1039/C6QO00138F","","","0.71073","MoKα","","0.0705","0.0318","","","0.0553","0.0581","","","","","","0.8","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553453","8.4973","0.001","40.566","0.006","26.516","0.004","90","","97.469","0.004","90","","9063","2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ru_nts_coord_diester_7a","","","- C48 H53 Cl2 N3 O6 Ru S -","- C48 H53 Cl2 N3 O6 Ru S -","- C384 H424 Cl16 N24 O48 Ru8 S8 -","8","2","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.186","0.0803","","","0.1831","0.244","","","","","","1.035","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553454","16.8326","0.0017","12.2762","0.0018","20.4575","0.0012","90","","90","","90","","4227.3","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H49 Cl2 N3 O3 Ru S -","- C44 H49 Cl2 N3 O3 Ru S -","- C176 H196 Cl8 N12 O12 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0556","0.0353","","","0.0837","0.0953","","","","","","1.084","","","","has coordinates,has disorder","235018","2020-10-21","18:00:00",""
"1553455","11.3136","0.0015","21.889","0.003","16.102","0.003","90","","97.063","0.005","90","","3957.3","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","vs_nts_vs_oac_2","","","- C40 H47 Cl2 N3 O4 Ru S -","- C40 H47 Cl2 N3 O4 Ru S -","- C160 H188 Cl8 N12 O16 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0622","0.0479","","","0.1348","0.1589","","","","","","1.122","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553456","20.114","0.003","8.8782","0.001","20.665","0.003","90","","105.736","0.004","90","","3552","0.8","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 N2 O3 Ru -","- C36 H46 Cl2 N2 O3 Ru -","- C144 H184 Cl8 N8 O12 Ru4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","MoKα","","0.0939","0.0789","","","0.2425","0.253","","","","","","1.218","","","","has coordinates,has disorder","235018","2020-10-21","18:00:00",""
"1553457","12.073","0.0019","18.008","0.003","10.7084","0.0015","90","","90","","90","","2328.1","0.6","199","2","199","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H26 Cl3 N2 O Ru -","- C22 H26 Cl2.5 N2 O Ru -","- C88 H104 Cl10 N8 O4 Ru4 -","4","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0935","0.0548","","","0.1458","0.1765","","","","","","1.085","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553458","40.354","0.008","40.354","0.008","14.657","0.003","90","","90","","120","","20670","7","200","2","200","2","","","","","","","","7","R -3 :H","-R 3","148","vs_nts_ru2","","","- C42 H43 Cl2 N3 O4 Ru S -","- C42 H43 Cl2 N3 O4 Ru S -","- C756 H774 Cl36 N54 O72 Ru18 S18 -","18","1","","Sabbasani, Venkata R.; Yun, Sang Young; Lee, Daesung","Structure and reactivity of sulfonamide- and acetate-chelated ruthenium alkylidene complexes","Organic Chemistry Frontiers","2016","3","8","939","","10.1039/C6QO00148C","","","0.71073","","","0.0857","0.066","","","0.1839","0.1966","","","","","","1.297","","","","has coordinates","235018","2020-10-21","18:00:00",""
"1553459","10.0639","0.0019","8.163","0.0016","20.469","0.004","90","","101.995","0.003","90","","1644.8","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3ak in manuscript","","","- C14 H10 F12 N2 -","- C14 H10 F12 N2 -","- C56 H40 F48 N8 -","4","1","","Xie, Jin; Li, Jian; Wurm, Thomas; Weingand, Vanessa; Sung, Hui-Ling; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.","A general photoinduced electron transfer-directed chemoselective perfluoroalkylation of N,N-dialkylhydrazones","Organic Chemistry Frontiers","2016","3","7","841","","10.1039/C6QO00158K","","","0.71073","MoKα","","0.125","0.0629","","","0.1353","0.1556","","","","","","1.053","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553460","16.558","0.003","17.307","0.004","19.571","0.004","90","","90","","90","","5608","2","173.15","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl2 F3 N7 S -","- C27 H26 Cl2 F3 N7 S -","- C216 H208 Cl16 F24 N56 S8 -","8","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0947","0.0895","","","0.2241","0.2349","","","","","","1.243","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553461","9.817","0.002","11.968","0.002","13.149","0.003","102.73","0.03","99.17","0.03","104.43","0.03","1421.3","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 F6 N7 S2 -","- C27 H23 F6 N7 S2 -","- C54 H46 F12 N14 S4 -","2","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0544","0.0491","","","0.1644","0.1691","","","","","","1.29","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553462","14.717","0.003","15.564","0.003","12.282","0.003","90","","103.48","0.03","90","","2735.8","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F6 N7 S2 -","- C27 H23 F6 N7 S2 -","- C108 H92 F24 N28 S8 -","4","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0733","0.0659","","","0.1403","0.1443","","","","","","1.181","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553463","10.82","0.006","10.975","0.006","11.163","0.006","74.634","0.005","62.808","0.005","65.132","0.005","1065.4","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl2 N3 O4 S -","- C17 H25 Cl2 N3 O4 S -","- C34 H50 Cl4 N6 O8 S2 -","2","1","","Zhou, Kaida; Xia, Hongguang; Wu, Jie","Generation of (2-oxoindolin-3-yl)methanesulfonohydrazides via a photo-induced reaction of N-(2-iodoaryl)acrylamide, DABSO, and hydrazine","Organic Chemistry Frontiers","2016","3","7","865","","10.1039/C6QO00163G","","","0.71073","MoKα","","0.0899","0.0806","","","0.2404","0.2518","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553464","11.266","0.0013","12.1474","0.0015","16.278","0.0019","73.095","0.003","73.52","0.003","84.96","0.003","2043.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F3 N O6 -","- C22 H18 F3 N O6 -","- C88 H72 F12 N4 O24 -","4","2","","Li, Zong-Rui; Bao, Xing-Xing; Sun, Jian; Shen, Jing; Wu, Dun-Qi; Liu, Yan-Kai; Deng, Qing-Hai; Liu, Feng","Iron-catalyzed trifluoromethylation of vinylcyclopropanes: facile synthesis of CF3–containing dihydronaphthalene derivatives","Organic Chemistry Frontiers","2016","3","8","934","","10.1039/C6QO00166A","","","0.71073","MoKα","","0.0784","0.0537","","","0.1486","0.1685","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553465","25.856","0.0009","5.37038","0.00017","21.5154","0.0007","90","","101.646","0.003","90","","2926.05","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","8a","","- C16 H16 B N3 O2 -","- C16 H16 B N3 O2 -","- C128 H128 B8 N24 O16 -","8","1","","Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.","“Click-fluors”: triazole-linked saccharide sensors","Organic Chemistry Frontiers","2016","3","8","918","","10.1039/C6QO00171H","","x-ray","0.71073","MoKα","","0.0491","0.0418","","","0.1011","0.1059","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553466","7.1065","0.0004","9.0913","0.0006","17.685","0.0011","81.994","0.005","84.409","0.005","68.79","0.006","1053.43","0.12","99.9","0.2","99.9","0.2","","","","","","","","5","P -1","-P 1","2","","13a","","- C24 H24 B N3 O4 -","- C24 H24 B N3 O4 -","- C48 H48 B2 N6 O8 -","2","1","","Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.","“Click-fluors”: triazole-linked saccharide sensors","Organic Chemistry Frontiers","2016","3","8","918","","10.1039/C6QO00171H","","x-ray","1.54184","CuKα","","0.0539","0.0443","","","0.1147","0.1232","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553467","4.4197","0.0005","11.6677","0.0013","22.915","0.002","90","","90","","90","","1181.7","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Zhang, Xu; Xu, Bin; Xu, Ming-Hua","Rhodium-catalyzed asymmetric arylation of N- and O-containing cyclic aldimines: facile and efficient access to highly optically active 3,4-dihydrobenzo[1,4]oxazin-2-ones and dihydroquinoxalinones","Organic Chemistry Frontiers","2016","3","8","944","","10.1039/C6QO00191B","","","0.71073","MoKα","","0.1053","0.0562","","","0.0883","0.0994","","","","","","1.021","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553468","9.4647","0.0007","12.7252","0.0009","11.5908","0.0008","90","","108.624","0.001","90","","1322.9","0.16","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H15 Cl N2 Pd -","- C14 H15 Cl N2 Pd -","- C56 H60 Cl4 N8 Pd4 -","4","2","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","","0.71075","MoKα","","0.0332","0.0331","","","0.0883","0.0884","","","","","","1.097","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553469","9.6575","0.0007","11.675","0.0008","26.2578","0.0018","90","","92.079","0.001","90","","2958.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N2 Pd -","- C16 H19 Cl N2 Pd -","- C128 H152 Cl8 N16 Pd8 -","8","2","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0257","0.0229","","","0.0604","0.0616","","","","","","1.067","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553470","6.9704","0.0005","17.1706","0.0011","12.2014","0.0009","90","","97.943","0.002","90","","1446.33","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl N2 O Pd -","- C16 H17 Cl N2 O Pd -","- C64 H68 Cl4 N8 O4 Pd4 -","4","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0249","0.0229","","","0.0556","0.0562","","","","","","1.187","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553471","12.2558","0.0003","9.9099","0.0003","17.4367","0.0005","90","","109.768","0.003","90","","1992.95","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Cl N O P Pd -","- C24 H19 Cl N O P Pd -","- C96 H76 Cl4 N4 O4 P4 Pd4 -","4","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0321","0.0268","","","0.0649","0.0673","","","","","","1.038","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553472","9.0641","0.0002","9.6782","0.0003","12.7031","0.0004","91.535","0.003","108.207","0.003","112.231","0.003","966.47","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H17 Cl N O P Pd -","- C23 H17 Cl N O P Pd -","- C46 H34 Cl2 N2 O2 P2 Pd2 -","2","1","","Roffe, Gavin W.; Tizzard, Graham J.; Coles, Simon J.; Cox, Hazel; Spencer, John","Synthesis of unsymmetrical NCN′ and PCN pincer palladacycles and their catalytic evaluation compared with a related SCN pincer palladacycle","Organic Chemistry Frontiers","2016","3","8","957","","10.1039/C6QO00198J","","x-ray","0.71075","MoKα","","0.0216","0.0201","","","0.0508","0.0514","","","","","","1.029","","","","has coordinates","235032","2020-10-21","18:00:00",""
"1553473","5.4373","0.0006","22.5643","0.0019","15.678","0.003","90","","91.295","0.01","90","","1923","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N O S -","- C25 H17 N O S -","- C100 H68 N4 O4 S4 -","4","1","","Singh, Radhey M.; Kumar, Ritush; Bharadwaj, Kishor Chandra; Gupta, Tanu","Pd catalyzed facile synthesis of cyclopenta[b]quinolin-1-one via sequential Sonogashira coupling and annulation. An unusual mode of ring closure, using sulphur as a soft nucleophile","Organic Chemistry Frontiers","2016","3","9","1100","","10.1039/C6QO00203J","","","0.71073","MoKα","","0.1745","0.0803","","","0.136","0.1715","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553474","9.2253","0.0012","12.0172","0.0019","12.8207","0.0016","65.023","0.014","76.245","0.011","83.655","0.012","1251.4","0.3","143","","143","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0532","0.0389","","","0.0933","0.0973","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553475","9.4248","0.0007","9.6366","0.0007","25.0543","0.0016","90","","94.474","0.002","90","","2268.6","0.3","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 -","- C32 H24 -","- C128 H96 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","","0.71073","MoKα","","0.0816","0.0469","","","0.0886","0.1","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553476","16.4844","0.0014","9.1722","0.0012","19.225","0.003","90","","107.472","0.012","90","","2772.7","0.6","143","","143","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0563","0.0387","","","0.0832","0.0872","","","","","","1.006","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553477","11.3717","0.0002","15.9519","0.0003","15.1309","0.0003","90","","93.429","0.002","90","","2739.83","0.09","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","","1.54178","CuKα","","0.0443","0.036","","","0.0965","0.0995","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553478","9.5798","0.0002","10.2198","0.0003","29.4004","0.0008","90","","96.324","0.002","90","","2860.89","0.13","173","","173","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","1","","He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong","Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores","Organic Chemistry Frontiers","2016","3","9","1091","","10.1039/C6QO00204H","","x-ray","1.5418","CuKα","","0.0723","0.0474","","","0.1076","0.1135","","","","","","1.005","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553479","12.766","0.003","16.24","0.003","13.427","0.003","90","","107.96","0.03","90","","2648","1.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R,8S,9R,10R)-2-(4-Chlorophenyl)-8-(2-methoxyphenyl)-4-methyl-9-nitro-10-(3-nitrophenyl)-2,3-diazaspiro[4.5]dec-3-ene-1,6-dione","","- C28 H23 Cl N4 O7 -","- C28 H23 Cl N4 O7 -","- C112 H92 Cl4 N16 O28 -","4","2","","Li, Jun-Hua; Cui, Zhi-Hao; Du, Da-Ming","Diastereo- and enantioselective construction of cyclohexanone-fused spirospyrazolones containing four consecutive stereocenters through asymmetric sequential reactions","Organic Chemistry Frontiers","2016","3","9","1087","","10.1039/C6QO00208K","","","0.71073","MoKα","","0.0808","0.0718","","","0.1939","0.2157","","","","","","1.11","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553480","11.7876","0.0009","19.8876","0.0014","12.1607","0.0008","90","","94.193","0.007","90","","2843.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C136 H176 O16 -","8","2","","Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles","Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers","Organic Chemistry Frontiers","2016","3","8","999","","10.1039/C6QO00212A","","x-ray","0.71073","MoKα","","0.1574","0.0679","","","0.1576","0.2007","","","","","","1.02","","","","has coordinates,has disorder","301780","2025-08-18","21:43:29",""
"1553481","19.1606","0.0011","13.3348","0.0005","23.8068","0.0011","90","","108.315","0.005","90","","5774.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C272 H352 O32 -","16","4","","Ondet, Pierrick; Lempenauer, Luisa; Duñach, Elisabet; Lemière, Gilles","Bismuth(iii) triflate-catalysed tandem cyclisations towards complex polycyclic ethers","Organic Chemistry Frontiers","2016","3","8","999","","10.1039/C6QO00212A","","x-ray","1.54184","CuKα","","0.0707","0.0451","","","0.1126","0.131","","","","","","1.02","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553482","8.2306","0.0009","9.8924","0.0012","26.999","0.004","90","","98.152","0.013","90","","2176.1","0.5","293.78","0.1","293.78","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(7aR,9aS,11R)-9a-methoxy-4-tosyl-3,4,5,6,9a,11-hexahydro-1H-7a,11-methanobenzofuro[3,3a-e]azonine-7,10(2H,8H)-dione","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C92 H108 N4 O24 S4 -","4","1","","Duan, Shuangshuang; Long, Dan; Zhao, Changgui; Zhao, Gaoyuan; Yuan, Ziyun; Xie, Xingang; Fang, Jianguo; She, Xuegong","Efficient construction of the A/C/D tricyclic skeleton of palhinine A","Organic Chemistry Frontiers","2016","3","9","1137","","10.1039/C6QO00222F","","x-ray","0.71","MoKα","","0.2471","0.1529","","","0.3522","0.4085","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553483","10.005","0.002","9.977","0.002","18.125","0.004","90","","92.34","0.03","90","","1807.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Br O -","- C23 H19 Br O -","- C92 H76 Br4 O4 -","4","1","","Liu, Yu; Zhao, Peng; Zhang, Bo; Xi, Chanjuan","MeOTf-catalyzed annulation of aldehydes and arylalkynes leading to 2,3-disubstituted indanones","Organic Chemistry Frontiers","2016","3","9","1116","","10.1039/C6QO00253F","","","0.71073","MoKα","","0.0762","0.0602","","","0.1883","0.2344","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553484","9.756","0.004","10.716","0.005","10.881","0.004","65.921","0.018","68.07","0.016","63.361","0.019","902.7","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 S -","- C23 H20 S -","- C46 H40 S2 -","2","1","","Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K.","Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes","Organic Chemistry Frontiers","2016","3","9","1126","","10.1039/C6QO00259E","","","0.71073","MoKα","","0.0664","0.0453","","","0.1129","0.1232","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553485","6.0606","0.0006","13.4845","0.0014","18.39","0.002","90","","91.36","0.004","90","","1502.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S -","- C20 H13 F S -","- C80 H52 F4 S4 -","4","1","","Ramesh, E.; Shankar, Majji; Dana, Suman; Sahoo, Akhila K.","Silver-mediated oxidative annulation of N-arylthio succinimides with alkynes: direct access to benzo[b]thiophenes","Organic Chemistry Frontiers","2016","3","9","1126","","10.1039/C6QO00259E","","","0.71073","MoKα","","0.1383","0.0626","","","0.1128","0.1349","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553486","31.8","0.014","8.994","0.004","13.605","0.006","90","","110.595","0.005","90","","3642","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 F3 I N O -","- C20 H17 F3 I N O -","- C160 H136 F24 I8 N8 O8 -","8","1","","An, Yuanyuan; Kuang, Yunyan; Wu, Jie","Synthesis of trifluoromethylated 3,4-dihydroquinolin-2(1H)-ones via a photo-induced radical cyclization of benzene-tethered 1,7-enynes with Togni reagent","Organic Chemistry Frontiers","2016","3","8","994","","10.1039/C6QO00267F","","","0.71073","MoKα","","0.0489","0.0341","","","0.0798","0.0833","","","","","","0.936","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553487","8.4058","0.0003","10.8659","0.0004","21.9188","0.0009","90","","90","","90","","2001.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3o","","- C21 H19 Br N2 O4 -","- C21 H19 Br N2 O4 -","- C84 H76 Br4 N8 O16 -","4","1","","Ma, Qiao; Gong, Lei; Meggers, Eric","Enantioselective β-alkylation of pyrroles with the formation of an all-carbon quaternary stereocenter","Organic Chemistry Frontiers","2016","3","10","1319","","10.1039/C6QO00273K","","","0.71073","MoKα","","0.0545","0.0449","","","0.0864","0.0898","","","","","","0.999","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553488","20.5231","0.0017","9.5667","0.0008","20.3255","0.0018","90","","115.091","0.002","90","","3614.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 O -","- C20 H18 N6 O -","- C160 H144 N48 O8 -","8","2","","Liu, Hou-Lu; Jiang, Yu; Hao, Jian; Tang, Xiang-Ying; Shi, Min","A new method to access triazole-fused spiro-guanidines from the reaction of isothiocyanates tethered N-sulfonyl-1,2,3-triazoles and amines","Organic Chemistry Frontiers","2016","3","11","1447","","10.1039/C6QO00304D","","","0.71073","MoKα","","0.124","0.0799","","","0.1656","0.1857","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553489","7.504","0.011","8.467","0.012","13.179","0.018","95.607","0.018","102.6","0.02","110.95","0.02","748.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 I N2 O -","- C18 H11 I N2 O -","- C36 H22 I2 N4 O2 -","2","1","","Wu, Yan-Dong; Geng, Xiao; Gao, Qinghe; Zhang, Jingjing; Wu, Xia; Wu, An-Xin","Iodine-promoted sequential dual oxidative Csp3–H amination/Csp3–H iodination reactions: efficient synthesis of 1-iodoimidazo[1,5-a]pyridines","Organic Chemistry Frontiers","2016","3","11","1430","","10.1039/C6QO00313C","","","0.71073","MoKα","","0.0428","0.0332","","","0.0994","0.1136","","","","","","1.141","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1553490","20.2007","0.0006","25.2676","0.0007","31.3498","0.0008","90","","90","","90","","16001.7","0.8","113","","113","","","","","","","","","5","P c c n","-P 2ab 2ac","56","2PdNAmX-2","","","- C60 H44 N4 O4 Pd2 -","- C60 H44 N4 O4 Pd2 -","- C720 H528 N48 O48 Pd24 -","12","1.5","","Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi","Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules","Organic Chemistry Frontiers","2016","3","10","1286","","10.1039/C6QO00315J","","","0.71075","MoKα","","","0.0687","","","","0.1993","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553491","27.6181","0.0017","13.0551","0.0009","30.802","0.002","90","","113.65","0.0017","90","","10173.2","1.2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2PdNAmX-1","","","- C61 H45 Cl3 N4 O4 Pd2 -","- C61 H45 Cl3 N4 O4 Pd2 -","- C488 H360 Cl24 N32 O32 Pd16 -","8","1","","Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi","Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules","Organic Chemistry Frontiers","2016","3","10","1286","","10.1039/C6QO00315J","","","0.71075","MoKα","","","0.0732","","","","0.1673","","","","","","1.053","","","","has coordinates","235053","2020-10-21","18:00:00",""
"1553492","11.5223","0.0012","14.9948","0.0015","16.4141","0.0017","90","","90","","90","","2835.9","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C116 H176 O24 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.06","0.0423","","","0.0857","0.0937","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553493","27.836","0.004","7.8125","0.001","14.1759","0.0019","90","","92.711","0.002","90","","3079.4","0.7","110","2","110","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H40 O5 Si -","- C29 H40 O5 Si -","- C116 H160 O20 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.0526","0.0394","","","0.0845","0.0894","","","","","","1.025","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553494","13.6594","0.0014","5.9624","0.0005","17.4715","0.0018","90","","106.688","0.012","90","","1363","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Cui, Fei-Hu; Su, Shi-Xia; Xu, Yan-li; Liang, Ying; Wang, Heng-shan; Pan, Ying-Ming","Capture of CO2 in air for 4,5-disubstituted furan-2(5H)-ones","Organic Chemistry Frontiers","2016","3","10","1304","","10.1039/C6QO00328A","","x-ray","0.71073","MoKα","","0.1445","0.0656","","","0.1364","0.1923","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553495","14.2296","0.0004","6.2823","0.0002","33.8457","0.001","90","","90.358","0.001","90","","3025.56","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cl2 N2 O6 -","- C38 H24 Cl2 N2 O6 -","- C152 H96 Cl8 N8 O24 -","4","1","","Wirtanen, T.; Muuronen, M.; Hurmalainen, J.; Tuononen, H. M.; Nieger, M.; Helaja, J.","Intermolecular oxidative dehydrogenative 3,3′-coupling of benzo[b]furans and benzo[b]thiophenes promoted by DDQ/H+: total synthesis of shandougenine B","Organic Chemistry Frontiers","2016","3","12","1738","","10.1039/C6QO00331A","","","1.54178","CuKα","","0.0608","0.0554","","","0.1524","0.1571","","","","","","1.086","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553496","13.909","0.004","20.264","0.002","22.762","0.002","90","","91.41","0.03","90","","6414","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H61 N7 O20 S4 -","- C62 H61 N7 O20 S4 -","- C248 H244 N28 O80 S16 -","4","1","","Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Brancatelli, Giovanna; Geremia, Silvano; Neri, Placido","A tetrasulfate-resorcin[6]arene cavitand as the host for organic ammonium guests","Organic Chemistry Frontiers","2016","3","10","1276","","10.1039/C6QO00336B","","","0.7","","","0.1064","0.1029","","","0.2779","0.2805","","","","","","1.053","","","","has coordinates,has disorder","235062","2020-10-21","18:00:00",""
"1553498","7.51038","0.0001","17.3551","0.0002","23.2172","0.0004","90","","90","","90","","3026.21","0.07","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triple 3c","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C112 H136 N40 O32 -","8","2","","Naik, Siddhi D.; Chandra, Girish; Sahu, Pramod K.; Kim, Hong-Rae; Qu, Shuhao; Yoon, Ji-seong; Jeong, Lak Shin","Stereo- and regio-selective synthesis of 3′-C-substituted-(N)-methanocarba adenosines as potential anticancer agents","Organic Chemistry Frontiers","2016","3","11","1472","","10.1039/C6QO00358C","","x-ray","1.54184","CuKα","","0.028","0.0264","","","0.067","0.068","","","","","","1.027","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553499","12.057","0.004","8.771","0.002","14.736","0.005","90","","113.287","0.005","90","","1431.4","0.8","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Oxo-3-(trifluoromethyl)-1-oxaspiro[4.4]non-3-en-4-yl)benzonitrile","","- C16 H12 F3 N O2 -","- C16 H12 F3 N O2 -","- C64 H48 F12 N4 O8 -","4","1","","Mizuta, Satoshi; Otaki, Hiroki; Kitamura, Kanami; Nishi, Kodai; Watanabe, Ken; Makau, Juliann Nzembi; Hashimoto, Ryo; Usui, Toshiya; Chiba, Kenya","3,3-Dibromo-2-trifluoromethyl acrylic acid ethyl ester: a versatile platform for the stereoselective preparation of functionalized-α-trifluoromethyl α,β-unsaturated lactones and trifluoromethyl pyrazolinones","Organic Chemistry Frontiers","2016","3","12","1661","","10.1039/C6QO00360E","","","0.71075","MoKα","","0.0921","0.0578","","","0.0995","0.1121","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553500","8.165","0.002","9.432","0.002","10.126","0.003","85.485","0.007","83.241","0.008","73.145","0.007","740.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 Cl F3 N2 O -","- C17 H10 Cl F3 N2 O -","- C34 H20 Cl2 F6 N4 O2 -","2","1","","Jin, Li-Kun; Lu, Guo-Ping; Cai, Chun","Copper-catalyzed 8-amido chelation-induced regioselective C–H fluoroalkylation of quinolines","Organic Chemistry Frontiers","2016","3","10","1309","","10.1039/C6QO00369A","","","0.71073","MoKα","","0.0787","0.063","","","0.1666","0.1787","","","","","","1.057","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553501","4.8217","0.0003","10.1093","0.0006","31.14","0.002","90","","90","","90","","1517.89","0.16","193","","","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N -","- C24 H15 N -","- C96 H60 N4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N–H/C–H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553502","16.3471","0.0009","11.2916","0.0008","8.0242","0.0004","90","","90","","90","","1481.15","0.15","193","","","","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C22 H13 N S -","- C22 H13 N S -","- C88 H52 N4 S4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N–H/C–H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553503","6.202","0.0005","10.169","0.001","14.7158","0.0018","75.057","0.01","85.343","0.008","84.132","0.007","890.56","0.16","283","10","283","10","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C46 H48 N4 -","2","1","","Liu, Cheng-Guo; Gu, Zheng-Yang; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun","An isocyanide insertion approach to substituted pyrrolo[2,3-b]quinolines under metal-free and azide-free conditions","Organic Chemistry Frontiers","2016","3","10","1299","","10.1039/C6QO00373G","","","0.7107","MoKα","","0.0777","0.0529","","","0.1261","0.1477","","","","","","1.012","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553504","8.9115","0.0007","11.1099","0.0007","11.8272","0.0009","83.858","0.006","86.228","0.006","67.922","0.006","1078.45","0.14","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N2 O4 P -","- C22 H25 N2 O4 P -","- C44 H50 N4 O8 P2 -","2","1","","Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Silver(i)-promoted C5–H phosphonation of 8-aminoquinoline amides with H-phosphonates","Organic Chemistry Frontiers","2016","3","12","1646","","10.1039/C6QO00379F","","x-ray","0.71073","MoKα","","0.1204","0.0776","","","0.2075","0.2482","","","","","","1.054","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553505","15.3031","0.0006","18.1046","0.0006","15.6855","0.0006","90","","90","","90","","4345.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H25 N2 O4 P -","- C22 H25 N2 O4 P -","- C176 H200 N16 O32 P8 -","8","1","","Sun, Mengmeng; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie","Silver(i)-promoted C5–H phosphonation of 8-aminoquinoline amides with H-phosphonates","Organic Chemistry Frontiers","2016","3","12","1646","","10.1039/C6QO00379F","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.1597","0.1898","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553506","8.681","0.007","17.323","0.014","32.77","0.03","90","","90","","90","","4928","7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N2 O2 -","- C31 H27 N2 O2 -","- C248 H216 N16 O16 -","8","2","","Chen, Zhen; Huo, Yuwen; An, Ping; Wang, Xichao; Song, Chun; Ma, Yudao","[2.2]Paracyclophane-based N-heterocyclic carbene as efficient catalyst or as ligand for copper catalyst for asymmetric α-silylation of N-tosylaldimines","Organic Chemistry Frontiers","2016","3","12","1725","","10.1039/C6QO00386A","","","0.71073","MoKα","","0.1149","0.0538","","","0.1064","0.1312","","","","","","0.974","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553507","17.643","0.001","16.144","0.001","6.601","0.001","90","","90","","90","","1880.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","((3'S,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro[cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0652","0.0456","","","0.0939","0.1068","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553508","6.03","0.001","16.334","0.001","18.224","0.001","90","","90","","90","","1795","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((3'R,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro [cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.041","0.0333","","","0.0786","0.0921","","","","","","1.1","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553509","10.178","0.001","21.78","0.001","11.615","0.001","90","","90.547","0.001","90","","2574.7","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aS,6R,7S,7aR)-7-(tert-butoxy)tetrahydro-3aH-spiro [1,6-methanopyrano[4,3-c]isoxazole-3,1'-cyclopropane]","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C104 H168 N8 O24 -","8","4","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0535","0.045","","","0.1106","0.117","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553510","6.078","0.0002","10.204","0.0003","19.957","0.0006","90","","90","","90","","1237.73","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS,7R,8S,8aR)-8-(tert-butoxy)hexahydro-1,7-methanopyrano [4,3-b]pyridin-4(7H)-one","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C52 H84 N4 O12 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0518","0.0401","","","0.09","0.0961","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553511","7.252","0.001","25.57","0.001","14.465","0.001","90","","100.17","0.002","90","","2640.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4S,4aR,8aS,11R,12S,12aR,16aS)-4,12-di-tert-butoxydodecahydro-3,5:11,13- dimethanodipyrano[4,3-b:4',3'-h][1,7]diazacyclododecine-8,16(3H,11H)-dione","","- C26 H42 N2 O6 -","- C26 H42 N2 O6 -","- C104 H168 N8 O24 -","4","2","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0632","0.0492","","","0.1151","0.125","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553512","9.1392","0.0002","13.2716","0.0003","13.7699","0.0003","77.608","0.001","76.026","0.001","84.909","0.001","1581.79","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cl2 N O2 -","- C40.999 H30.998 Cl1.998 N O2 -","- C81.998 H61.996 Cl3.996 N2 O4 -","2","1","","Seifert, Sabine; Schmidt, David; Würthner, Frank","A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides","Organic Chemistry Frontiers","2016","3","11","1435","","10.1039/C6QO00421K","","","1.54178","CuKα","","0.0802","0.0737","","","0.2179","0.2253","","","","","","1.035","","","","has coordinates,has disorder","235081","2020-10-21","18:00:00",""
"1553513","13.3641","0.0012","15.796","0.0014","14.8901","0.0013","90","","112.839","0.002","90","","2896.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H66 Cl2 N2 O4 -","- C79 H66 Cl2 N2 O4 -","- C158 H132 Cl4 N4 O8 -","2","0.5","","Seifert, Sabine; Schmidt, David; Würthner, Frank","A cross-coupling-annulation cascade from peri-dibromonaphthalimide to pseudo-rylene bisimides","Organic Chemistry Frontiers","2016","3","11","1435","","10.1039/C6QO00421K","","","0.71073","MoKα","","0.0651","0.0494","","","0.1334","0.1459","","","","","","1.035","","","","has coordinates,has disorder","235081","2020-10-21","18:00:00",""
"1553514","9.2961","0.0002","10.1519","0.0002","20.823","0.0005","90","","102.267","0.001","90","","1920.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O2 S -","- C24 H20 O2 S -","- C96 H80 O8 S4 -","4","1","","Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo","Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones","Organic Chemistry Frontiers","2016","3","11","1452","","10.1039/C6QO00422A","","","0.71073","MoKα","","0.0569","0.0445","","","0.1197","0.1306","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553515","7.0521","0.0006","28.03","0.002","10.4649","0.0008","90","","100.069","0.001","90","","2036.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O2 S -","- C27 H20 O2 S -","- C108 H80 O8 S4 -","4","1","","Fu, Rong; Hao, Wen-Juan; Wu, Ya-Nan; Wang, Nan-Nan; Tu, Shu-Jiang; Li, Guigen; Jiang, Bo","Sulfonyl radical-enabled 6-endo-trig cyclization for regiospecific synthesis of unsymmetrical diaryl sulfones","Organic Chemistry Frontiers","2016","3","11","1452","","10.1039/C6QO00422A","","","0.71073","MoKα","","0.1316","0.0684","","","0.1143","0.1437","","","","","","0.999","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553516","15.4186","0.0013","11.3388","0.0008","16.9081","0.0014","90","","107.55","0.009","90","","2818.4","0.4","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N O4 S -","- C33 H35 N O4 S -","- C132 H140 N4 O16 S4 -","4","1","","Lv, Leiyang; Bai, Xiaohui; Yan, Xiaoyu; Li, Zhiping","Iron-catalyzed decarbonylation initiated [2 + 2 + m] annulation of benzene-linked 1,n-enynes with aliphatic aldehydes","Organic Chemistry Frontiers","2016","3","11","1509","","10.1039/C6QO00429F","","","0.71073","MoKα","","0.1051","0.0534","","","0.1076","0.1358","","","","","","1.046","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553517","8.3151","0.0007","8.625","0.0007","18.7838","0.0016","99.74","0.001","96.686","0.001","104.017","0.001","1270.61","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C58 H52 N4 O10 S2 -","2","1","","Sharma, Pankaj; Kumar, Niggula Praveen; Krishna, Namballa Hari; Prasanna, Daasi; Sridhar, Balasubramanian; Shankaraiah, Nagula","Silver(i)-catalysed domino alkyne-annulation/Diels–Alder reaction: a mild synthetic approach to tetrahydrospiro[carbazole-4,3′-indoline] scaffolds","Organic Chemistry Frontiers","2016","3","11","1503","","10.1039/C6QO00430J","","","0.71073","MoKα","","0.061","0.0494","","","0.1373","0.1503","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553518","8.849","0.005","10.773","0.006","17.758","0.009","90","","91.599","0.007","90","","1692.2","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F3 N2 O3 S -","- C14 H17 F3 N2 O3 S -","- C56 H68 F12 N8 O12 S4 -","4","1","","Li, Yuewen; Xiang, Yuanchao; Li, Zhiming; Wu, Jie","Direct vicinal difunctionalization of alkynes through trifluoromethylation and aminosulfonylation via insertion of sulfur dioxide under catalyst-free conditions","Organic Chemistry Frontiers","2016","3","11","1493","","10.1039/C6QO00434B","","","0.71073","MoKα","","0.0939","0.068","","","0.1757","0.1857","","","","","","0.963","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553528","12.7034","0.0011","11.6077","0.001","28.683","0.005","90","","90","","90","","4229.5","0.9","102.1","","102.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O2 Si -","- C22 H32 O2 Si -","- C176 H256 O16 Si8 -","8","1","","Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion","Organic Chemistry Frontiers","2016","3","12","1691","","10.1039/C6QO00453A","","","0.71073","MoKα","","0.1939","0.1532","","","0.3787","0.4104","","","","","","1.06","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553529","9.3034","0.0001","9.6541","0.0002","11.6687","0.0008","101.875","0.007","106.962","0.008","96.397","0.007","964.39","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Duan, Jindian; Cheng, Yuyu; Li, Rou; Li, Pengfei","Synthesis of spiro[indane-1,3-dione-1-pyrrolines] via copper-catalyzed heteroannulation of ketoxime acetates with 2-arylideneindane-1,3-diones","Organic Chemistry Frontiers","2016","3","12","1614","","10.1039/C6QO00454G","","","1.54187","CuKα","","0.0565","0.0529","","","0.1351","0.1403","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553532","11.1348","0.0009","10.8734","0.001","24.741","0.002","90","","90","","90","","2995.5","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong","Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner","Organic Chemistry Frontiers","2016","3","12","1746","","10.1039/C6QO00462H","","x-ray","0.71073","MoKα","","0.2039","0.0674","","","0.1267","0.1889","","","","","","0.926","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553533","9.2943","0.0019","18.714","0.004","20.557","0.004","90","","95.79","0.03","90","","3557.3","1.3","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","2","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0781","0.07","","","0.1381","0.1456","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553534","11.335","0.002","7.4991","0.0015","37.869","0.008","90","","90","","90","","3219","1.1","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0799","0.0693","","","0.1375","0.1441","","","","","","1.172","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553535","10.641","0.002","10.978","0.002","17.744","0.003","100.04","0.03","106.43","0.03","93.41","0.03","1944.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cl7 N3 Pd -","- C42 H34 Cl7 N3 Pd -","- C84 H68 Cl14 N6 Pd2 -","2","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0811","0.0765","","","0.2212","0.2352","","","","","","1.024","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553536","36.49","0.005","36.49","0.005","21.305","0.004","90","","90","","120","","24567","7","173.15","","173.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C44 H40 Cl N3 Pd -","- C44 H40 Cl N3 Pd -","- C792 H720 Cl18 N54 Pd18 -","18","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0755","0.0652","","","0.2056","0.2162","","","","","","1.072","","","","has coordinates,has disorder","235107","2020-10-21","18:00:00",""
"1553537","11.611","0.002","19.188","0.004","13.466","0.003","90","","113.15","0.03","90","","2758.5","1.1","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cl3 N2 O Pd -","- C33 H25 Cl3 N2 O Pd -","- C132 H100 Cl12 N8 O4 Pd4 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0392","0.0369","","","0.0834","0.085","","","","","","1.107","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553538","14.187","0.003","12.38","0.003","14.674","0.003","90","","92.59","0.03","90","","2574.6","1","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cl N2 O Pd -","- C34 H27 Cl N2 O Pd -","- C136 H108 Cl4 N8 O4 Pd4 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0286","0.0281","","","0.0705","0.0708","","","","","","1.085","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553539","11.91","0.002","32.793","0.007","9.4655","0.0019","90","","113.37","0.03","90","","3393.6","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N3 O0 -","- C40 H33 N3 -","- C160 H132 N12 -","4","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0814","0.0633","","","0.1406","0.151","","","","","","1.047","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553540","12.0255","0.0007","18.091","0.0012","10.1121","0.0007","90","","105.935","0.002","90","","2115.4","0.2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N2 O6 S2 -","- C50 H50 N2 O6 S2 -","- C100 H100 N4 O12 S4 -","2","0.5","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0786","0.0468","","","0.1069","0.1223","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553541","7.6825","0.0003","17.5861","0.0008","22.9639","0.0011","90","","90","","90","","3102.5","0.2","100","1","100","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0669","0.0581","","","0.1538","0.1604","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553542","6.0149","0.0004","13.4117","0.0009","18.2153","0.0012","90","","91.601","0.002","90","","1468.86","0.17","138","2","138","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S -","- C20 H13 F S -","- C80 H52 F4 S4 -","4","1","","Wang, Xiaoming; Gensch, Tobias; Glorius, Frank","Highly selective synthesis of 6-substituted benzothiophenes by Sc(OTf)3-catalyzed intermolecular cyclization and sulfur migration","Organic Chemistry Frontiers","2016","3","12","1619","","10.1039/C6QO00477F","","","0.71073","MoKα","","0.0566","0.0397","","","0.08","0.0861","","","","","","1.076","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553546","16.1503","0.0018","8.3426","0.0009","18.1574","0.0019","90","","108.184","0.002","90","","2324.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O8 -","- C24 H28 O8 -","- C96 H112 O32 -","4","1","","Cao, Tao; Ma, Shengming","Nickel-catalyzed alkyl-zincation and carboxylation of diynes","Organic Chemistry Frontiers","2016","3","12","1711","","10.1039/C6QO00484A","","","0.71073","MoKα","","0.0716","0.057","","","0.1473","0.1612","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553553","5.828","0.0006","8.2327","0.0008","16.8844","0.0016","90","","98.492","0.003","90","","801.23","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C38 H34 Cl2 O2 -","2","1","","Luo, Hongwen; Yu, Yihua; Ma, Shengming","Suzuki coupling for preparation of allenes – ligand effects and chirality transfer","Organic Chemistry Frontiers","2016","3","12","1705","","10.1039/C6QO00489J","","","0.71073","MoKα","","0.0341","0.0314","","","0.0819","0.0839","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553655","24.741","0.005","24.741","0.005","19.826","0.004","90","","90","","120","","10510","4","400","2","400","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C432 H504 N72 -","6","0.333333","","Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.","A solution-processable dissymmetric porous organic cage","Molecular Systems Design & Engineering","2018","3","1","223","","10.1039/C7ME00090A","","x-ray","0.71073","MoKα","","0.0629","0.0538","","","0.142","0.1513","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553656","24.483","0.0011","24.483","0.0011","19.6123","0.0009","90","","90","","120","","10181","0.8","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C73.1 H89.96 Cl1.55 N12 O1.89 -","- C73.095 H87.765 Cl1.551 N12 O1.893 -","- C438.57 H526.59 Cl9.306 N72 O11.358 -","6","0.333333","","Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.","A solution-processable dissymmetric porous organic cage","Molecular Systems Design & Engineering","2018","3","1","223","","10.1039/C7ME00090A","","x-ray","0.71073","MoKα","","0.0731","0.0608","","","0.1563","0.1666","","","","","","1.074","","","","has coordinates,has disorder","235693","2020-10-21","18:00:00",""
"1553657","10.0027","0.0006","10.4765","0.0006","12.2924","0.0007","74.478","0.003","72.643","0.003","79.707","0.003","1177.8","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H18 N2 O22 Se6 V3 -","- C4 H18 N2 O22 Se6 V3 -","- C8 H36 N4 O44 Se12 V6 -","2","1","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0222","0.018","","0.0412","0.0396","0.0412","","","","","","0.939","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553658","10.0879","0.0004","6.2047","0.0002","10.6765","0.0004","90","","116.566","0.0017","90","","597.71","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N2 O10 Se2 V2 -","- C4 H12 N2 O10 Se2 V2 -","- C8 H24 N4 O20 Se4 V4 -","2","0.5","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.021","0.019","","0.053","0.0521","0.053","","","","","","1.0045","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553659","18.816","0.005","7.934","0.005","34.439","0.005","90","","95.85","0.005","90","","5114","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H44 N4 O48 Se12 V6 -","- C8 H44 N4 O48 Se12 V6 -","- C32 H176 N16 O192 Se48 V24 -","4","0.5","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0561","0.0508","","0.1185","0.1167","0.1145","","","","","","1.1599","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553660","17.999","0.0007","15.658","0.0006","26.0344","0.001","90","","113.803","0.002","90","","6713.1","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H58.67 N6 O65.33 Se16 V8 -","- C8 H58.666 N6 O65.332 Se16 V8 -","- C32 H234.664 N24 O261.328 Se64 V32 -","4","1","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0534","0.0423","","0.1724","0.1134","0.102","","","","","","1.0242","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553661","24.713","0.002","7.9212","0.0008","34.399","0.002","90","","130.376","0.004","90","","5129.9","0.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H43 N4 O47 Se12 V6 -","- C8 H43 N4 O47 Se12 V6 -","- C32 H172 N16 O188 Se48 V24 -","4","1","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0563","0.0375","","0.097","0.0903","0.0867","","","","","","1.0613","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1554236","8.886","0.004","10.971","0.005","11.261","0.005","64.477","0.007","78.704","0.007","77.452","0.008","960.5","0.8","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H20 S -","- C25 H20 S -","- C50 H40 S2 -","2","2","","Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen","Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment","Materials Chemistry Frontiers","2019","3","1","32","","10.1039/C8QM00411K","","","0.71073","MoKα","","0.0974","0.054","","","0.1427","0.1856","","","","","","1.04","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554237","5.988","0.003","7.36","0.004","45.02","0.02","90","","90","","90","","1984.1","1.7","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 S -","- C25 H20 S -","- C100 H80 S4 -","4","1","","Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen","Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment","Materials Chemistry Frontiers","2019","3","1","32","","10.1039/C8QM00411K","","","0.71073","MoKα","","0.0781","0.0663","","","0.1553","0.1613","","","","","","1.097","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554238","13.5619","0.0009","13.7951","0.001","15.3779","0.0011","110.309","0.002","101.188","0.002","97.849","0.002","2581.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H55 N5 O2 S -","- C61 H55 N5 O2 S -","- C122 H110 N10 O4 S2 -","2","1","","Yu, Hai-Xia; Zhi, Junge; Chang, Zheng-Feng; Shen, Tianjiao; Ding, Wei-Lu; Zhang, Xiaoling; Wang, Jin-Liang","Rational design of aggregation-induced emission sensor based on Rhodamine B for turn-on sensing of trivalent metal cations, reversible data protection, and bioimaging","Materials Chemistry Frontiers","2019","3","1","151","","10.1039/C8QM00424B","","","0.71073","MoKα","","0.1149","0.0572","","","0.128","0.1466","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554239","11.951","0.002","15.59","0.003","18.828","0.004","90","","97.29","0.03","90","","3479.6","1.2","153","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 F6 N O2 P -","- C39 H37 F6 N2 O2 P -","- C156 H148 F24 N8 O8 P4 -","4","1","","Ren, Fei; Liu, Pai; Gao, Yu; Shi, Jianbing; Tong, Bin; Cai, Zhengxu; Dong, Yuping","Real time bioimaging for mitochondria by taking the aggregation process of aggregation-induced emission near-infrared dyes with wash-free staining","Materials Chemistry Frontiers","2019","3","1","57","","10.1039/C8QM00425K","","","0.71073","MoKα","","0.2843","0.2299","","","0.495","0.5293","","","","","","1.687","","","","has coordinates","237051","2020-10-21","18:00:00",""
"1554240","17.804","0.002","9.217","0.0011","12.5258","0.0017","90","","107.795","0.004","90","","1957.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","POZ-BT-CN","POZ-BT-CN","","- C25 H14 N4 O S -","- C25 H14 N4 O S -","- C100 H56 N16 O4 S4 -","4","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng","The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D–A–A type emitters","Materials Chemistry Frontiers","2019","3","1","161","","10.1039/C8QM00442K","","","0.71073","MoKα","","0.0605","0.041","","","0.0939","0.1027","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554241","11.8289","0.0011","20.0485","0.0017","21.3871","0.0018","105.379","0.003","102.037","0.004","99.001","0.004","4660.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","OTPA-BT-CN","OTPA-BT-CN","","- C109 H80 N16 O10 S4 -","- C109 H80 N16 O10 S4 -","- C218 H160 N32 O20 S8 -","2","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Wu, Sheng-Fan; Yuan, Yi; Aziz Khan, Aziz Khan; Jiang, Zuo-Quan; Fung, Man-Keung; Liao, Liang-Sheng","The roles of thermally activated delayed fluorescence sensitizers for efficient red fluorescent organic light-emitting diodes with D‒A‒A type emitters","Materials Chemistry Frontiers","2019","3","1","161","","10.1039/C8QM00442K","","","0.71073","MoKα","","0.1214","0.0648","","","0.1527","0.1812","","","","","","1.003","","","","has coordinates","237053","2020-10-21","18:00:00",""
"1554242","10.83","0.008","7.65","0.006","12.063","0.009","90","","103.07","0.03","90","","973.5","1.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C46 H34 N6 O6 -","2","1","","He, Yanling; Li, Yuanyuan; Su, Huifang; Si, Yue; Liu, Yuanyuan; Peng, Qiuchen; He, Juan; Hou, Hongwei; Li, Kai","An o-phthalimide-based multistimuli-responsive aggregation-induced emission (AIE) system","Materials Chemistry Frontiers","2019","3","1","50","","10.1039/C8QM00454D","","","0.71073","MoKα","","0.055","0.0423","","","0.1071","0.1139","","","","","","1.126","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554243","20.728","0.009","11.337","0.005","17.818","0.008","90","","107.633","0.008","90","","3990","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 Cl2 N2 O -","- C47 H38 Cl2 N2 O -","- C188 H152 Cl8 N8 O4 -","4","1","","Lin, Tingting; Su, Xing; Wang, Kai; Li, Minjie; Guo, Hongwei; Liu, Lulu; Zou, Bo; Zhang, Yu-Mo; Liu, Yifei; Zhang, Sean Xiao-An","An AIE fluorescent switch with multi-stimuli responsive properties and applications for quantitatively detecting pH value, sulfite anion and hydrostatic pressure","Materials Chemistry Frontiers","2019","3","6","1052","","10.1039/C8QM00544C","","","0.71073","MoKα","","0.2228","0.0909","","","0.247","0.3413","","","","","","0.83","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554244","15.538","0.004","13.276","0.004","16.39","0.005","90","","101.907","0.006","90","","3308.2","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N3 O2 -","- C41 H33 N3 O2 -","- C164 H132 N12 O8 -","4","1","","Shimizu, Masaki; Tamagawa, Tomokazu; Nishimura, Kenta","4,5-Diaminophthalimides: highly efficient solid-state fluorophores and turn-on type fluorescent probes for hydrazine","Materials Chemistry Frontiers","2019","3","4","563","","10.1039/C8QM00578H","","","0.71073","MoKα","","0.0764","0.0446","","","0.1052","0.1136","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554245","8.7745","0.0018","11.508","0.002","20.298","0.004","90","","90","","90","","2049.6","0.7","153","2","153.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0919","0.0772","","","0.1932","0.2209","","","","","","1.22","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554246","45.21","0.009","6.1483","0.0012","7.449","0.0015","90","","90","","90","","2070.6","0.7","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0723","0.0664","","","0.1404","0.1459","","","","","","1.15","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554247","42.454","0.009","11.064","0.002","9.786","0.002","90","","94.49","0.03","90","","4582.5","1.6","153","2","153.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C31 H27 N -","- C31 H27 N -","- C248 H216 N8 -","8","2","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.1596","0.1348","","","0.2727","0.2993","","","","","","1.103","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554248","31.66","0.006","5.901","0.0012","22.932","0.005","90","","100.11","0.03","90","","4217.8","1.5","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 N O -","- C29 H23 N O -","- C232 H184 N8 O8 -","8","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.0955","0.0781","","","0.2294","0.2679","","","","","","1.267","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554249","23.528","0.005","6.0582","0.0012","17.914","0.004","90","","93.56","0.03","90","","2548.5","0.9","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O -","- C32 H27 N3 O -","- C128 H108 N12 O4 -","4","1","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.2738","0.2562","","","0.6218","0.631","","","","","","2.771","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554250","8.4662","0.0017","15.145","0.003","17.692","0.004","106.62","0.03","95.32","0.03","91.57","0.03","2160.9","0.9","153","2","153.15","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","2","","Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping","A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence","Materials Chemistry Frontiers","2019","3","2","284","","10.1039/C8QM00613J","","","0.71073","MoKα","","0.21","0.1627","","","0.3918","0.4353","","","","","","1.239","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554251","11.695","0.002","19.14","0.004","15.289","0.003","90","","111.7","0.03","90","","3179.8","1.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 N4 O4 S -","- C37 H36 N4 O4 S -","- C148 H144 N16 O16 S4 -","4","1","","Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","An ESIPT-based fluorescent switch with AIEE, solvatochromism, mechanochromism and photochromism","Materials Chemistry Frontiers","2019","3","4","620","","10.1039/C8QM00633D","","","0.71073","MoKα","","0.082","0.0736","","","0.1812","0.1868","","","","","","1.131","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554252","8.9145","0.0003","13.2762","0.0004","14.5859","0.0005","110.467","0.002","98.648","0.002","96.716","0.002","1571.88","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C90 H58 N10 -","2","1","","Cao, Chen; Chen, Wen-Cheng; Tian, Shuang; Chen, Jia-Xiong; Wang, Zhong-Yi; Zheng, Xu-Hui; Ding, Chong-Wei; Li, Jing-Hong; Zhu, Jie-Ji; Zhu, Ze-Lin; Tong, Qing-Xiao; Lee, Chun-Sing","A novel D–π–A blue fluorophore based on [1,2,4]triazolo[1,5-a]pyridine as an electron acceptor and its application in organic light-emitting diodes","Materials Chemistry Frontiers","2019","3","6","1071","","10.1039/C8QM00678D","","","1.54178","CuKα","","0.069","0.0588","","","0.1557","0.1674","","","","","","0.975","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554611","11.2628","0.0009","12.4158","0.0009","21.9828","0.0019","83.055","0.004","78.448","0.004","87.667","0.003","2989.2","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","compound 2","","- C63 H46 Cu F6 N4 O P3 -","- C63 H46 Cu F6 N4 O P3 -","- C126 H92 Cu2 F12 N8 O2 P6 -","2","1","","Giereth, Robin; Reim, Immanuel; Frey, Wolfgang; Junge, Henrik; Tschierlei, Stefanie; Karnahl, Michael","Remarkably long-lived excited states of copper photosensitizers containing an extended π-system based on an anthracene moiety","Sustainable Energy & Fuels","2019","3","3","692","","10.1039/C8SE00521D","","","0.71073","MoKα","","0.0686","0.0405","","","0.0918","0.0984","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554612","8.1362","0.0005","10.6863","0.0007","22.4625","0.0013","86.186","0.004","81.28","0.004","87.085","0.005","1924.5","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","'compound 2''","","- C48 H28 Cu F6 N8 P -","- C48 H28 Cu F6 N8 P -","- C96 H56 Cu2 F12 N16 P2 -","2","1","","Giereth, Robin; Reim, Immanuel; Frey, Wolfgang; Junge, Henrik; Tschierlei, Stefanie; Karnahl, Michael","Remarkably long-lived excited states of copper photosensitizers containing an extended π-system based on an anthracene moiety","Sustainable Energy & Fuels","2019","3","3","692","","10.1039/C8SE00521D","","","1.54178","CuKα","","0.0589","0.0423","","","0.1077","0.1159","","","","","","1.031","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554613","12.9939","0.0011","13.5751","0.0015","14.0727","0.0015","78.667","0.005","85.315","0.005","77.907","0.005","2377.8","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","[K(crypt)][Ni(TAPPy)2]","","","- C22.5 H28 K0.5 N6 Ni0.5 O3 -","- C22.5 H28 K0.5 N6 Ni0.5 O3 -","- C90 H112 K2 N24 Ni2 O12 -","4","2","","Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.","Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex","Sustainable Energy & Fuels","2019","3","5","1172","","10.1039/C8SE00623G","","","0.71073","MoKα","","0.0967","0.0558","","","0.1059","0.1227","","","","","","1.072","","","","has coordinates,has disorder","237422","2020-10-21","18:00:00",""
"1554614","23.3268","0.0009","7.362","0.0003","22.2054","0.0009","90","","94.794","0.002","90","","3800","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KTAPPy","","","- C36 H44 K2 N10 O3 -","- C36 H44 K2 N10 O3 -","- C144 H176 K8 N40 O12 -","4","1","","Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.","Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex","Sustainable Energy & Fuels","2019","3","5","1172","","10.1039/C8SE00623G","","","1.54178","CuKα","","0.0698","0.0608","","","0.1677","0.1765","","","","","","1.07","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554615","7.7492","0.0013","16.392","0.002","8.8505","0.0014","90","","101.096","0.006","90","","1103.2","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ni(TAPPy)2","","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C48 H40 N20 Ni2 -","2","0.5","","Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E.","Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex","Sustainable Energy & Fuels","2019","3","5","1172","","10.1039/C8SE00623G","","","0.71073","MoKα","","0.0734","0.0394","","","0.0746","0.0878","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554632","26.026","0.004","12.94","0.0014","22.386","0.003","90","","97.214","0.004","90","","7479.4","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H32 F6 Ir N3 O0 S2 -","- C39 H32 F6 Ir N3 S2 -","- C312 H256 F48 Ir8 N24 S16 -","8","1","","Lu, Guang-Zhao; Wu, Ruixia; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","A series of red iridium(iii) complexes using flexible dithiocarbamate derivatives as ancillary ligands for highly efficient phosphorescent OLEDs","Materials Chemistry Frontiers","2019","3","5","860","","10.1039/C9QM00088G","","","0.71073","MoKα","","0.0743","0.0466","","","0.12","0.1376","","","","","","1.021","","","","has coordinates,has disorder","238012","2020-10-21","18:00:00",""
"1554633","11.3","0.02","15.22","0.03","16.31","0.03","79.22","0.03","79.11","0.03","82.46","0.03","2693","9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H42 F6 Ir N3 S2 -","- C53 H42 F6 Ir N3 S2 -","- C106 H84 F12 Ir2 N6 S4 -","2","1","","Lu, Guang-Zhao; Wu, Ruixia; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","A series of red iridium(iii) complexes using flexible dithiocarbamate derivatives as ancillary ligands for highly efficient phosphorescent OLEDs","Materials Chemistry Frontiers","2019","3","5","860","","10.1039/C9QM00088G","","","0.71073","MoKα","","0.1274","0.0803","","","0.1988","0.2324","","","","","","0.969","","","","has coordinates,has disorder","238012","2020-10-21","18:00:00",""
"1554634","15.5226","0.0015","12.6925","0.0012","20.61","0.002","90","","97.559","0.002","90","","4025.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H28 F6 Ir N3 S2 -","- C45 H28 F6.003 Ir N3 S2 -","- C180 H112 F24.012 Ir4 N12 S8 -","4","1","","Lu, Guang-Zhao; Wu, Ruixia; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","A series of red iridium(iii) complexes using flexible dithiocarbamate derivatives as ancillary ligands for highly efficient phosphorescent OLEDs","Materials Chemistry Frontiers","2019","3","5","860","","10.1039/C9QM00088G","","","0.71073","MoKα","","0.036","0.0303","","","0.0775","0.0813","","","","","","1.033","","","","has coordinates,has disorder","238012","2020-10-21","18:00:00",""
"1554635","7.237","0.0014","18.371","0.004","62.028","0.012","90","","92.02","0.03","90","","8242","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H46 Co6 N12 O39 -","- C72 H46 Co6 N12 O39 -","- C288 H184 Co24 N48 O156 -","4","1","","Li, Ang; Qian, Binbin; Zhong, Ming; Liu, Yingying; Chang, Ze; Bu, Xian-He","An insight into the pyrolysis process of metal‒organic framework templates/precursors to construct metal oxide anode materials for lithium-ion batteries","Materials Chemistry Frontiers","2019","3","7","1398","","10.1039/C9QM00098D","","","0.71073","MoKα","","0.2548","0.2394","","","0.5551","0.5615","","","","","","1.054","","","","has coordinates","238014","2020-10-21","18:00:00",""
"1554636","11.768","0.0003","17.4213","0.0005","17.5279","0.0005","90","","97.615","0.002","90","","3561.77","0.17","294.56","0.1","294.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N4 O2 Pt2 -","- C42 H36 N4 O2 Pt2 -","- C168 H144 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.053","0.0378","","","0.0851","0.0945","","","","","","1.04","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554637","11.0565","0.0005","16.7748","0.0006","20.3659","0.0009","90","","90","","90","","3777.3","0.3","294","0.2","294","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl2 N4 O2 Pt2 -","- C43 H38 Cl2 N4 O2 Pt2 -","- C172 H152 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.041","0.0362","","","0.0807","0.084","","","","","","1.083","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554638","9.6783","0.0005","18.7346","0.0011","19.5011","0.001","90","","100.777","0.005","90","","3473.6","0.3","143","0.1","143","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cl2 N4 O2 Pt2 -","- C42 H28 Cl2 N4 O2 Pt2 -","- C168 H112 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.0471","0.0319","","","0.0581","0.064","","","","","","1.055","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554639","10.7354","0.0004","20.1891","0.0008","21.7815","0.0006","90","","90","","90","","4720.9","0.3","143","0.1","143","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 Cl3 N4 O2 Pt2 -","- C51 H35 Cl3 N4 O2 Pt2 -","- C204 H140 Cl12 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.0626","0.0493","","","0.118","0.1263","","","","","","1.049","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554640","11.05822","0.00019","16.7782","0.0004","20.3868","0.0004","90","","90","","90","","3782.51","0.13","294.28","0.16","294.28","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl2 N4 O2 Pt2 -","- C43 H38 Cl2 N4 O2 Pt2 -","- C172 H152 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.047","0.0396","","","0.0955","0.1009","","","","","","1.042","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554641","11.377","0.003","9.712","0.003","13.362","0.004","90","","95.331","0.004","90","","1470","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd–even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","","0.71073","MoKα","","0.0426","0.0358","","","0.0966","0.1111","","","","","","1.094","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554642","7.9027","0.0003","11.1576","0.0004","13.5298","0.0006","90","","93.338","0.004","90","","1190.97","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd–even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","x-ray","1.54184","CuKα","","0.0528","0.0393","","","0.0957","0.1044","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554643","8.78316","0.00019","11.4642","0.0002","11.1048","0.0002","90","","91.3006","0.0019","90","","1117.88","0.04","295.04","0.1","295.04","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C52 H44 N4 O8 S4 -","4","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd–even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","","0.71","MoKα","","0.0768","0.0742","","","0.1665","0.1708","","","","","","1.197","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554644","18.9325","0.0007","9.4253","0.0003","17.2146","0.0006","90","","114.976","0.004","90","","2784.59","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","2","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd–even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","x-ray","1.54184","CuKα","","0.0709","0.0435","","","0.0894","0.1002","","","","","","0.956","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554645","26.477","0.007","26.477","0.007","12.475","0.003","90","","90","","120","","7574","3","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C324 H378 N18 O36 S18 -","18","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd–even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","","0.71073","MoKα","","0.1104","0.0531","","","0.1176","0.1427","","","","","","0.97","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554646","7.7584","0.0007","9.0839","0.0008","10.0043","0.0009","109.128","0.008","97.408","0.008","103.752","0.008","630.4","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C30 H30 N2 O4 S2 -","2","1","","Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","The odd–even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging","Materials Chemistry Frontiers","2019","3","7","1391","","10.1039/C9QM00108E","","x-ray","1.54184","CuKα","","0.0641","0.0432","","","0.0881","0.0965","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554647","6.3304","0.0013","7.2037","0.0014","20.473","0.004","89.41","0.03","89.13","0.03","76.08","0.03","906.1","0.3","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O4 -","- C44 H46 N2 O4 -","- C44 H46 N2 O4 -","1","0.5","","Dai, Shuangxiong; Cai, Zhengxu; Peng, Zhe; Wang, Zhi; Tong, Bin; Shi, Jianbing; Gan, Shenglong; He, Qiming; Chen, Wei; Dong, Yuping","A stabilized lamellar liquid crystalline phase with aggregation-induced emission features based on pyrrolopyrrole derivatives","Materials Chemistry Frontiers","2019","3","6","1105","","10.1039/C9QM00124G","","","0.71073","MoKα","","0.0715","0.0638","","","0.1427","0.1476","","","","","","1.155","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554648","6.70475","0.00016","13.3306","0.0003","13.1204","0.0003","90","","90","","90","","1172.68","0.05","167","40","167","40","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H14 Br3 N3 O -","- C4 H18 Br3 N3 O -","- C16 H72 Br12 N12 O4 -","4","0.5","","Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He","Electronic structures and elastic properties of a family of metal-free perovskites","Materials Chemistry Frontiers","2019","3","8","1678","","10.1039/C9QM00133F","","x-ray","1.54184","CuKα","","0.0241","0.0237","","","0.0636","0.0639","","","","","","1.071","","","","has coordinates","238023","2020-10-21","18:00:00",""
"1554649","7.064","0.0014","14.089","0.003","13.684","0.003","90","","90","","90","","1361.9","0.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C4 H14 I3 N3 O -","- C4 H18 I3 N3 O -","- C16 H72 I12 N12 O4 -","4","0.5","","Li, Kai; Dong, Li-Yuan; Xu, Hao-Xiang; Qin, Yan; Li, Zhi-Gang; Azeem, Muhammad; Li, Wei; Bu, Xian-He","Electronic structures and elastic properties of a family of metal-free perovskites","Materials Chemistry Frontiers","2019","3","8","1678","","10.1039/C9QM00133F","","","0.71073","MoKα","","0.0564","0.0559","","","0.1516","0.1522","","","","","","1.077","","","","has coordinates","238023","2020-10-21","18:00:00",""
"1554650","22.0567","0.0018","7.7405","0.0006","15.5138","0.0014","90","","102.762","0.007","90","","2583.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EM","","- C30 H29 N5 O -","- C30 H29 N5 O -","- C120 H116 N20 O4 -","4","1","","Yang, Jinfeng; Gu, Kaizhi; Shi, Chuanxing; Li, Meng; Zhao, Ping; Zhu, Wei-Hong","Fluorescent thermometer based on a quinolinemalononitrile copolymer with aggregation-induced emission characteristics","Materials Chemistry Frontiers","2019","3","8","1503","","10.1039/C9QM00147F","","","1.54178","CuKα","","0.1096","0.0772","","","0.2105","0.246","","","","","","1.022","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554651","12.8894","0.0018","9.0135","0.0012","31.806","0.004","90","","93.146","0.002","90","","3689.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 B F2 N3 O -","- C20 H22 B F2 N3 O -","- C160 H176 B8 F16 N24 O8 -","8","1","","Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung","A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells","Materials Chemistry Frontiers","2019","3","9","1823","","10.1039/C9QM00154A","","","0.71073","MoKα","","0.0618","0.0458","","","0.13","0.1441","","","","","","1.047","","","","has coordinates","238026","2020-10-21","18:00:00",""
"1554652","26.649","0.003","9.8463","0.001","19.4482","0.0019","90","","101.393","0.001","90","","5002.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 B F2 N3 O -","- C26 H34 B F2 N3 O -","- C208 H272 B8 F16 N24 O8 -","8","1","","Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung","A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells","Materials Chemistry Frontiers","2019","3","9","1823","","10.1039/C9QM00154A","","","0.71073","MoKα","","0.1044","0.0637","","","0.2012","0.2386","","","","","","1.058","","","","has coordinates","238026","2020-10-21","18:00:00",""
"1554653","23.744","0.003","12.2488","0.0012","19.0154","0.0018","90","","101.276","0.002","90","","5423.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B F2 N3 O -","- C24 H30 B F2 N3 O -","- C192 H240 B8 F16 N24 O8 -","8","1","","Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung","A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells","Materials Chemistry Frontiers","2019","3","9","1823","","10.1039/C9QM00154A","","","0.71073","MoKα","","0.0933","0.0598","","","0.2113","0.2293","","","","","","1.104","","","","has coordinates","238026","2020-10-21","18:00:00",""
"1554654","4.7535","0.0005","6.1267","0.0013","13.209","0.002","96.215","0.015","96.738","0.011","91.369","0.013","379.53","0.11","100.01","0.01","100.01","0.01","","","","","","","","2","P -1","-P 1","2","","d-DPE","","- C20 H24 -","- C20 H24 -","- C20 H24 -","1","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","x-ray","0.71073","MoKα","","0.0868","0.0581","","","0.1305","0.1498","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554655","12.9394","0.0012","8.2851","0.0007","9.083","0.0008","90","","106.48","0.01","90","","933.73","0.15","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 -","- C24 H26 -","- C48 H52 -","2","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","x-ray","1.54184","CuKα","","0.0556","0.0468","","","0.1216","0.1301","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554656","7.9294","0.0008","7.3834","0.0007","16.2178","0.0015","90","","90.745","0.008","90","","949.41","0.16","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","TPh-TM","","- C24 H26 -","- C24 H26 -","- C48 H52 -","2","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","","0.71073","MoKα","","0.0686","0.0497","","","0.1315","0.1493","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554657","4.8732","0.0006","10.6116","0.0013","15.5489","0.0018","90","","90.251","0.01","90","","804.06","0.17","293","2","293.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 -","- C20 H24 -","- C40 H48 -","2","0.5","","Zhang, Haoke; Liu, Junkai; Du, Lili; Ma, Chao; Leung, Nelson L. C.; Niu, Yingli; Qin, Anjun; Sun, Jingzhi; Peng, Qian; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wong, Kam Sing; Phillips, David Lee; Tang, Ben Zhong","Drawing a clear mechanistic picture for the aggregation-induced emission process","Materials Chemistry Frontiers","2019","3","6","1143","","10.1039/C9QM00156E","","","0.71073","MoKα","","0.1057","0.0722","","","0.1979","0.2347","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554658","9.7394","0.0003","9.8279","0.0003","16.0542","0.0005","96.661","0.001","100.097","0.001","92.178","0.001","1499.99","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","'2,5-bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene'","","- C44 H28 S -","- C44 H28 S -","- C88 H56 S2 -","2","1","","Kazantsev, Maxim S.; Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Benassi, Enrico; Mostovich, Evgeny A.","Stimuli responsive aggregation-induced emission of bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene single crystals","Materials Chemistry Frontiers","2019","3","8","1545","","10.1039/C9QM00198K","","","0.71073","MoKα","","0.0561","0.0362","","","0.0847","0.0938","","","","","","1.027","","","","has coordinates","238029","2020-10-21","18:00:00",""
"1554659","15.4125","0.0009","9.8016","0.0005","20.9249","0.001","90","","105.66","0.002","90","","3043.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'2,5-bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene'","","- C44 H28 S -","- C44 H28 S -","- C176 H112 S4 -","4","1","","Kazantsev, Maxim S.; Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Benassi, Enrico; Mostovich, Evgeny A.","Stimuli responsive aggregation-induced emission of bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene single crystals","Materials Chemistry Frontiers","2019","3","8","1545","","10.1039/C9QM00198K","","","0.71073","MoKα","","0.0673","0.0438","","","0.1024","0.1155","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554660","26.013","0.006","12.858","0.002","10.6428","0.0018","90","","104.932","0.01","90","","3439.5","1.1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 N4 -","- C40 H28 N4 -","- C160 H112 N16 -","4","0.5","","Peng, Zhe; Dai, Shuangxiong; Ji, Yingchun; Tong, Bin; Shi, Jianbing; Cai, Zhengxu; Zhi, Junge; Dong, Yuping","Ionic liquid crystals with aggregation-induced emission properties based on pyrrolo[3,2-b]pyrrole salt compounds","Materials Chemistry Frontiers","2019","3","7","1385","","10.1039/C9QM00208A","","","0.71073","MoKα","","0.184","0.0686","","","0.1539","0.2045","","","","","","0.943","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554661","7.402","0.002","19.562","0.005","12.283","0.003","90","","97.32","0.004","90","","1764.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Au F5 N O -","- C18 H15 Au F5 N O -","- C72 H60 Au4 F20 N4 O4 -","4","1","","Dong, Yubao; Zhu, Fei; Chen, Zhao; Yin, Jun; Liu, Sheng Hua","Single-component gold(i)-containing highly white-emissive crystals based on a polymorph doping strategy","Materials Chemistry Frontiers","2019","3","9","1866","","10.1039/C9QM00274J","","","0.71073","MoKα","","0.047","0.0334","","","0.0902","0.0964","","","","","","1.047","","","","has coordinates","238032","2020-10-21","18:00:00",""
"1554662","7.3042","0.0009","19.814","0.003","11.9572","0.0015","90","","95.327","0.002","90","","1723","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Au F5 N O -","- C18 H15 Au F5 N O -","- C72 H60 Au4 F20 N4 O4 -","4","1","","Dong, Yubao; Zhu, Fei; Chen, Zhao; Yin, Jun; Liu, Sheng Hua","Single-component gold(i)-containing highly white-emissive crystals based on a polymorph doping strategy","Materials Chemistry Frontiers","2019","3","9","1866","","10.1039/C9QM00274J","","","0.71073","MoKα","","0.0638","0.0604","","","0.1386","0.1421","","","","","","1.042","","","","has coordinates","238032","2020-10-21","18:00:00",""
"1554663","7.2889","0.0004","19.8254","0.001","11.9641","0.0006","90","","95.306","0.001","90","","1721.47","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Au F5 N O -","- C18 H15 Au F5 N O -","- C72 H60 Au4 F20 N4 O4 -","4","1","","Dong, Yubao; Zhu, Fei; Chen, Zhao; Yin, Jun; Liu, Sheng Hua","Single-component gold(i)-containing highly white-emissive crystals based on a polymorph doping strategy","Materials Chemistry Frontiers","2019","3","9","1866","","10.1039/C9QM00274J","","","0.71073","MoKα","","0.0296","0.0209","","","0.0489","0.0647","","","","","","1.109","","","","has coordinates","238032","2020-10-21","18:00:00",""
"1554664","5.0052","0.0002","15.6076","0.0004","14.6006","0.0004","90","","91.275","0.003","90","","1140.3","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H14 N4 O2 -","- C29 H14 N4 O2 -","- C58 H28 N8 O4 -","2","1","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0355","0.0332","","","0.0893","0.0919","","","","","","1.03","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554665","25.4902","0.0008","8.4676","0.0003","16.9657","0.0005","90","","104.889","0.002","90","","3538.9","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H16 N4 O2 -","- C30 H16 N4 O2 -","- C180 H96 N24 O12 -","6","1.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0338","0.0315","","","0.0863","0.0887","","","","","","1.038","","","","has coordinates","301780","2025-08-18","21:43:31",""
"1554666","12.0721","0.0006","17.9566","0.0012","12.2305","0.0006","90","","90","","90","","2651.3","0.3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H22 N4 O2 -","- C33 H22 N4 O2 -","- C132 H88 N16 O8 -","4","0.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0454","0.0396","","","0.1014","0.1069","","","","","","1.054","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554667","8.8302","0.0003","18.7601","0.0008","19.027","0.0007","110.64","0.004","94.387","0.003","93.845","0.003","2926","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N4 O2 -","- C36 H28 N4 O2 -","- C144 H112 N16 O8 -","4","2","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0889","0.0585","","","0.1608","0.1822","","","","","","1.07","","","","has coordinates,has disorder","301780","2025-08-18","21:43:31",""
"1554668","7.9714","0.0004","22.5703","0.0008","9.1047","0.0004","90","","115.426","0.007","90","","1479.42","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H22 Cl2 N4 O2 -","- C33 H22 Cl2 N4 O2 -","- C66 H44 Cl4 N8 O4 -","2","1","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0588","0.0561","","","0.1657","0.17","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554669","18.4373","0.0019","25.7446","0.0019","11.6266","0.0007","90","","90","","90","","5518.7","0.8","153","2","153","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H30 F6 N4 O2 -","- C48 H30 F6 N4 O2 -","- C192 H120 F24 N16 O8 -","4","0.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.1107","0.0854","","","0.2191","0.2375","","","","","","1.103","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554670","8.5584","0.0003","18.7684","0.0005","17.4034","0.0004","90","","94.951","0.003","90","","2785.03","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.67 H8.67 N1.33 O0.67 -","- C11.6667 H8.66667 N1.33333 O0.666667 -","- C140 H104 N16 O8 -","12","3","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54184","CuKα","","0.0562","0.0467","","","0.1281","0.1369","","","","","","1.033","","","","has coordinates,has disorder","238033","2020-10-21","18:00:00",""
"1554671","8.788","0.004","10.446","0.004","15.407","0.006","70.818","0.01","88.67","0.01","79.808","0.01","1313.8","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C66 H46 B2 F4 O6 -","2","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.1887","0.0794","","","0.209","0.2424","","","","","","1.107","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554672","53.109","0.011","7.2441","0.0017","13.687","0.003","90","","97.371","0.005","90","","5222","2","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C264 H184 B8 F16 O24 -","8","2","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.1206","0.089","","","0.2251","0.2518","","","","","","1.009","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554673","15.955","0.004","8.978","0.002","19.823","0.005","90","","113.38","0.005","90","","2606.4","1.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C132 H92 B4 F8 O12 -","4","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.092","0.049","","","0.1261","0.1468","","","","","","1.031","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554674","15.958","0.006","8.99","0.004","19.915","0.006","90","","113.62","0.02","90","","2617.7","1.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C132 H92 B4 F8 O12 -","4","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.177","0.0614","","","0.0904","0.1088","","","","","","0.937","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554675","15.957","0.005","8.984","0.003","19.969","0.006","90","","113.55","","90","","2624.3","1.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F2 O3 -","- C33 H23 B F2 O3 -","- C132 H92 B4 F8 O12 -","4","1","","Wang, Yongtao; Liu, Wenjing; Ren, Litong; Ge, Guixian","Deep insights into polymorphism initiated by exploring multicolor conversion materials","Materials Chemistry Frontiers","2019","3","8","1661","","10.1039/C9QM00293F","","","0.71073","MoKα","","0.1598","0.0671","","","0.1593","0.1922","","","","","","0.932","","","","has coordinates","238035","2020-10-21","18:00:00",""
"1554676","12.1382","0.0002","12.8179","0.0003","15.1854","0.0003","85.684","0.002","78.373","0.002","89.276","0.002","2307.59","0.08","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","(R)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","4","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0537","0.0494","","","0.1369","0.1442","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554677","14.4773","0.0002","12.17882","0.00016","13.40691","0.00018","90","","104.925","0.0014","90","","2284.11","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","1","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0444","0.0422","","","0.1103","0.1124","","","","","","1.072","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554678","12.135","0.0002","12.8327","0.0002","15.1864","0.0002","85.785","0.001","78.371","0.001","89.345","0.001","2310.08","0.06","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","(S)-ImNT","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C120 H88 N8 O8 S4 -","4","4","","Chen, Yitong; Xu, Chao; Xu, Bingjia; Mao, Zhu; Li, Jian-An; Yang, Zhan; Peethani, Naga Raju; Liu, Cong; Shi, Guang; Gu, Feng Long; Zhang, Yi; Chi, Zhenguo","Chirality-activated mechanoluminescence from aggregation-induced emission enantiomers with high contrast mechanochromism and force-induced delayed fluorescence","Materials Chemistry Frontiers","2019","3","9","1800","","10.1039/C9QM00312F","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.0783","0.0789","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554679","8.4381","0.0004","12.133","0.0005","23.3476","0.0009","86.889","0.001","81.757","0.001","83.205","0.001","2347.31","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O Pt -","- C30 H24 N4 O Pt -","- C120 H96 N16 O4 Pt4 -","4","2","","Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei","High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions","Materials Chemistry Frontiers","2019","3","11","2448","","10.1039/C9QM00347A","","","0.71073","MoKα","","0.0353","0.0304","","","0.0749","0.0787","","","","","","1.049","","","","has coordinates","238039","2020-10-21","18:00:00",""
"1554680","7.7277","0.0015","13.36","0.003","20.072","0.004","90","","90","","90","","2072.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 N4 O Pt -","- C27 H18 N4 O Pt -","- C108 H72 N16 O4 Pt4 -","4","1","","Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei","High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions","Materials Chemistry Frontiers","2019","3","11","2448","","10.1039/C9QM00347A","","","0.71073","MoKα","","0.0534","0.0427","","","0.0532","0.0566","","","","","","0.98","","","","has coordinates","238039","2020-10-21","18:00:00",""
"1554681","26.686","0.005","16.726","0.003","14.573","0.003","90","","107.7","0.03","90","","6197","2","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 N4 O3 -","- C37 H28 N4 O3 -","- C296 H224 N32 O24 -","8","1","","Ren, Fei; Shi, Jianbing; Tong, Bin; Cai, Zhengxu; Dong, Yuping","Effects of fused rings linked to the 2,5-position of pyrrole derivatives with near-infrared emission on their aggregation-enhanced emission properties","Materials Chemistry Frontiers","2019","3","10","2072","","10.1039/C9QM00372J","","","0.71073","MoKα","","0.0646","0.0585","","","0.1173","0.1208","","","","","","1.148","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554682","16.236","0.003","7.7124","0.0015","25.238","0.005","90","","104.08","0.03","90","","3065.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-2-(5-[4-dimethylaminophenyl]-lH-pyrazole-3-yl)phenol","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","2","","Li, Aisen; Liu, Hao; Song, Chongping; Geng, Yijia; Xu, Shuping; Zhang, Hongyu; Zhang, Houyu; Cui, Haining; Xu, Weiqing","Flexible control of excited state transition under pressure/temperature: distinct stimuli-responsive behaviours of two ESIPT polymorphs","Materials Chemistry Frontiers","2019","3","10","2128","","10.1039/C9QM00395A","","","0.71073","MoKα","","0.1003","0.0509","","","0.1311","0.155","","","","","","0.946","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554683","12.841","0.003","10.286","0.002","12.663","0.003","90","","111.023","0.007","90","","1561.2","0.6","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-(5-[4-dimethylaminophenyl]-lH-pyrazole-3-yl)phenol","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Li, Aisen; Liu, Hao; Song, Chongping; Geng, Yijia; Xu, Shuping; Zhang, Hongyu; Zhang, Houyu; Cui, Haining; Xu, Weiqing","Flexible control of excited state transition under pressure/temperature: distinct stimuli-responsive behaviours of two ESIPT polymorphs","Materials Chemistry Frontiers","2019","3","10","2128","","10.1039/C9QM00395A","","","0.71073","MoKα","","0.0714","0.047","","","0.1099","0.1241","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554684","24.5577","0.0007","18.3997","0.0004","18.1621","0.0004","90","","92.376","0.002","90","","8199.6","0.3","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Cl6 N2 Zn -","- C10 H26 Cl6 N2 Zn -","- C160 H416 Cl96 N32 Zn16 -","16","4","","Zhang, Yu-Wei; Wang, Qing; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Visual low-high interchange in a dielectric switch for trimethylchloroethylamine tetrachlorozincate with a large leap symmetry breaking","Materials Chemistry Frontiers","2019","3","10","2077","","10.1039/C9QM00427K","","","0.71073","MoKα","","0.0683","0.047","","","0.1188","0.1262","","","","","","1.12","","","","has coordinates","238043","2020-10-21","18:00:00",""
"1554685","12.7985","0.0003","12.7985","0.0003","25.8884","0.0013","90","","90","","90","","4240.6","0.3","370","2","370","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H26 Cl6 N2 Zn -","- C10 H26 Cl6 N2 Zn -","- C80 H208 Cl48 N16 Zn8 -","8","0.5","","Zhang, Yu-Wei; Wang, Qing; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Visual low-high interchange in a dielectric switch for trimethylchloroethylamine tetrachlorozincate with a large leap symmetry breaking","Materials Chemistry Frontiers","2019","3","10","2077","","10.1039/C9QM00427K","","","0.71073","MoKα","","0.2102","0.2011","","","0.4934","0.6065","","","","","","1.1432","","","","has coordinates","278190","2022-09-26","15:36:48",""
"1554686","12.2995","0.0012","12.7098","0.0012","38.043","0.003","80.979","0.003","89.471","0.003","65.725","0.003","5344.1","0.9","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C218 H276 O28 P2 Pt -","- C218 H276 O28 P2 Pt -","- C218 H276 O28 P2 Pt -","1","0.5","","Hu, Yang; Wang, Wei; Yao, Rui; Wang, Xu-Qing; Wang, Yu-Xuan; Sun, Bin; Chen, Li-Jun; Zhang, Ying; Zhao, Xiao-Li; Xu, Lin; Tan, Hong-Wei; Yu, Yihua; Li, Xiaopeng; Yang, Hai-Bo","Facile synthesis of diverse rotaxanes via successive supramolecular transformations","Materials Chemistry Frontiers","2019","3","11","2397","","10.1039/C9QM00430K","","","0.71073","MoKα","","0.1622","0.1225","","","0.3177","0.3454","","","","","","1.249","","","","has coordinates","238045","2020-10-21","18:00:00",""
"1554687","15.215","0.005","14.04","0.005","23.048","0.008","90","","100.849","0.006","90","","4835","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57.5 N4.5 O7 -","- C51 H56 N4 O7 -","- C204 H224 N16 O28 -","4","1","","Chan, Sing-Ming; Tang, Fung-Kit; Kwan, Chak-Shing; Lam, Ching-Yau; Hau, Sam C. K.; Leung, Ken Cham-Fai","Water-compatible fluorescent [2]rotaxanes for Au3+ detection and bioimaging","Materials Chemistry Frontiers","2019","3","11","2388","","10.1039/C9QM00476A","","x-ray","0.71073","MoKα","","0.0866","0.0717","","","0.2199","0.2441","","","","","","1.063","","","","has coordinates","238046","2020-10-21","18:00:00",""
"1554688","8.9754","0.0004","11.9049","0.0006","13.8094","0.0007","111.039","0.002","90.487","0.002","95.955","0.002","1368.09","0.12","98","2","98.07","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H23 N O2 S -","- C37 H23 N O2 S -","- C74 H46 N2 O4 S2 -","2","1","","Huang, Lili; Wen, Xue; Liu, Jianwei; Chen, Mingxing; Ma, Zhiyong; Jia, Xinru","An AIE molecule featuring changeable triplet emission between phosphorescence and delayed fluorescence by an external force","Materials Chemistry Frontiers","2019","3","10","2151","","10.1039/C9QM00509A","","","0.71076","MoKα","","0.1058","0.0849","","","0.1496","0.1566","","","","","","1.324","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554689","12.995","0.005","14.047","0.005","18.771","0.008","85.928","0.015","72.336","0.015","78.362","0.014","3198","2","279","2","278.84","","","","","","","","","3","P -1","-P 1","2","","","","- C43 H31 N3 -","- C43 H31 N3 -","- C172 H124 N12 -","4","2","","Li, Aisen; Chu, Ning; Liu, Jianwei; Liu, Hao; Wang, Jing; Xu, Shuping; Cui, Haining; Zhang, Hongyu; Xu, Weiqing; Ma, Zhiyong","Pressure-induced remarkable luminescence switch of a dimer form of donor–acceptor–donor triphenylamine (TPA) derivative","Materials Chemistry Frontiers","2019","3","12","2768","","10.1039/C9QM00529C","","","0.71076","MoKα","","0.1104","0.0519","","","0.1125","0.1434","","","","","","1.009","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554690","17.2834","0.0005","10.2606","0.0003","18.3175","0.0005","90","","96.618","0.001","90","","3226.74","0.16","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N4 -","- C42 H30 N4 -","- C168 H120 N16 -","4","1","","Li, Aisen; Chu, Ning; Liu, Jianwei; Liu, Hao; Wang, Jing; Xu, Shuping; Cui, Haining; Zhang, Hongyu; Xu, Weiqing; Ma, Zhiyong","Pressure-induced remarkable luminescence switch of a dimer form of donor–acceptor–donor triphenylamine (TPA) derivative","Materials Chemistry Frontiers","2019","3","12","2768","","10.1039/C9QM00529C","","","0.71076","MoKα","","0.1357","0.0631","","","0.154","0.2051","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554691","6.2682","0.0005","7.1504","0.0005","28.857","0.002","94.165","0.002","90.331","0.003","90.002","0.003","1289.94","0.16","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","2","","Liu, Jianxun; Xing, Chang; Wei, Donghui; Deng, Qianqian; Yang, Cuiping; Peng, Qiuchen; Hou, Hongwei; Li, Yuanyuan; Li, Kai","Utilizing the aggregation-induced emission phenomenon to visualize spontaneous molecular directed motion in the solid state","Materials Chemistry Frontiers","2019","3","12","2746","","10.1039/C9QM00586B","","","0.71073","MoKα","","0.1179","0.0591","","","0.1397","0.1616","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1554692","6.2328","0.0002","7.2129","0.0001","31.0245","0.0007","92.777","0.002","94.558","0.002","90.014","0.002","1388.7","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Liu, Jianxun; Xing, Chang; Wei, Donghui; Deng, Qianqian; Yang, Cuiping; Peng, Qiuchen; Hou, Hongwei; Li, Yuanyuan; Li, Kai","Utilizing the aggregation-induced emission phenomenon to visualize spontaneous molecular directed motion in the solid state","Materials Chemistry Frontiers","2019","3","12","2746","","10.1039/C9QM00586B","","","1.54184","CuKα","","0.0659","0.0468","","","0.1232","0.1319","","","","","","1","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1554693","6.1745","0.0002","7.0411","0.0002","33.2296","0.001","86.545","0.002","84.929","0.002","89.992","0.002","1436.38","0.08","99.9","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","2","","Liu, Jianxun; Xing, Chang; Wei, Donghui; Deng, Qianqian; Yang, Cuiping; Peng, Qiuchen; Hou, Hongwei; Li, Yuanyuan; Li, Kai","Utilizing the aggregation-induced emission phenomenon to visualize spontaneous molecular directed motion in the solid state","Materials Chemistry Frontiers","2019","3","12","2746","","10.1039/C9QM00586B","","x-ray","1.54184","CuKα","","0.0603","0.049","","","0.1264","0.1306","","","","","","1.119","","","","has coordinates","301780","2025-08-18","21:43:32",""
"1555295","8.0816","0.0008","12.3906","0.0012","12.9013","0.0011","97.876","0.004","106.389","0.004","104.083","0.004","1172.4","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H21 I3 N3 O2 Pb -","- C12 H21 I3 N3 O2 Pb -","- C24 H42 I6 N6 O4 Pb2 -","2","1","","Peng, Yong; Albero, Josep; Álvarez, Eleuterio; García, Hermenegildo","Hybrid benzidinium lead iodide perovskites with a 1D structure as photoinduced electron transfer photocatalysts","Sustainable Energy & Fuels","2019","3","9","2356","","10.1039/C9SE00182D","","","0.71073","MoKα","","0.0415","0.0374","","","0.1253","0.1303","","","","","","1.07","","","","has coordinates,has disorder","238442","2020-10-21","18:00:00",""
"1555297","14.9558","0.0003","15.4562","0.0004","19.3998","0.0005","90","","90","","90","","4484.45","0.19","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H35 B N3 O P Ru -","- C20 H35 B N3 O P Ru -","- C160 H280 B8 N24 O8 P8 Ru8 -","8","1","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","0.71073","MoKα","","0.0372","0.0265","","","0.0538","0.0586","","","","","","1.017","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555298","10.512","0.005","12.577","0.006","16.003","0.006","90","","108.396","0.005","90","","2007.6","1.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H53 N3 O P2 Ru -","- C45 H53 N3 O P2 Ru -","- C90 H106 N6 O2 P4 Ru2 -","2","1","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","1.5418","CuKα","","0.0715","0.0586","","","0.1488","0.1681","","","","","","1.043","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555299","8.4345","0.0003","14.1852","0.0003","20.2401","0.0005","79.305","0.002","86.313","0.002","81.975","0.002","2354.42","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H33 N4 O P Ru -","- C22 H33 N4 O P Ru -","- C88 H132 N16 O4 P4 Ru4 -","4","2","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","1.54184","CuKα","","0.0479","0.0347","","","0.0786","0.085","","","","","","1.002","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555302","16.8658","0.0008","24.1932","0.0007","9.164","0.0005","90","","100.116","0.005","90","","3681.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 S14 -","- C76 H92 S14 -","- C152 H184 S28 -","2","0.5","","Krishnan Jagadamma, Lethy; Taylor, Rupert G. D.; Kanibolotsky, Alexander L.; Sajjad, Muhammad Tariq; Wright, Iain A.; Horton, Peter N.; Coles, Simon J.; Samuel, Ifor D. W.; Skabara, Peter J.","Highly efficient fullerene and non-fullerene based ternary organic solar cells incorporating a new tetrathiocin-cored semiconductor","Sustainable Energy & Fuels","2019","3","8","2087","","10.1039/C9SE00343F","","x-ray","0.71073","MoKα","","0.1299","0.0688","","","0.1716","0.2043","","","","","","1.017","","","","has coordinates,has disorder","301780","2025-08-18","21:43:32",""
"1556100","10.016","0.003","11.499","0.003","17.53","0.004","95.938","0.005","100.417","0.006","108.57","0.003","1854","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 O2 S -","- C13 H20 O2 S -","- C78 H120 O12 S6 -","6","3","","Dawid, M.; Mlostoñ, G; Warkentin, J.","The first 2,2-dialkoxythiirane.","Organic letters","2001","3","16","2455","2456","10.1021/ol016108g","","","0.71073","MoKα","","0.0524","0.0404","","","0.1039","0.1113","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556325","8.1051","0.0008","11.1155","0.0009","22.6264","0.0006","77.784","0.005","89.987","0.004","71.894","0.003","1888.9","0.3","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H29 Cl2 N3 Pd -","- C15 H29 Cl2 N3 Pd -","- C60 H116 Cl8 N12 Pd4 -","4","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0182","0.0161","","","0.0393","0.0409","","","","","","1.085","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556326","8.1752","0.0008","15.2655","0.0006","15.457","0.001","94.321","0.007","90.451","0.005","93.185","0.004","1920.4","0.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C15 H28 Cl2 N2 Pd S -","- C15 H28 Cl2 N2 Pd S -","- C60 H112 Cl8 N8 Pd4 S4 -","4","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0272","0.0225","","","0.0548","0.0585","","","","","","1.057","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556327","8.1693","0.0008","9.1162","0.001","22.9935","0.0007","93.592","0.003","91.806","0.005","89.939","0.006","1708.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C30 H56 Cl2 N4 O2 Pd -","- C30 H56 Cl2 N4 O2 Pd -","- C60 H112 Cl4 N8 O4 Pd2 -","2","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","x-ray","0.71073","MoKα","","0.1022","0.0759","","","0.1632","0.182","","","","","","1.016","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556328","15.7877","0.001","21.0937","0.0013","8.109","0.0005","90","","102.061","0.003","90","","2640.9","0.3","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 Cl2 N3 Pd -","- C23 H45 Cl2 N3 Pd -","- C92 H180 Cl8 N12 Pd4 -","4","1","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0553","0.0311","","","0.0593","0.0682","","","","","","1.074","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556329","17.8598","0.0014","10.775","0.0008","31.054","0.002","90","","101.73","0.004","90","","5851.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C66 H64 Cl2 N4 O7.5 V2 -","- C66 H64 Cl2 N4 O7.5 V2 -","- C264 H256 Cl8 N16 O30 V8 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","MoKα","","0.1007","0.0653","","","0.1159","0.1271","","","","","","1.037","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556330","9.6297","0.0003","12.1792","0.0004","16.2276","0.0006","90","","100.851","0.004","90","","1869.18","0.11","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound L5","","","- C44 H56 N2 O2 -","- C44 H56 N2 O2 -","- C88 H112 N4 O4 -","2","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.1056","0.0498","","","0.0835","0.0958","","","","","","0.926","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556331","15.4851","0.0003","12.3449","0.0002","33.0323","0.0006","90","","90","","90","","6314.5","0.2","140","1","140","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 5","","","- C60 H86 Cl4 N2 O6 V2 -","- C60 H86 Cl4 N2 O6 V2 -","- C240 H344 Cl16 N8 O24 V8 -","4","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.0867","0.0612","","","0.1045","0.1129","","","","","","1.199","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556332","11.0873","0.0005","17.9157","0.0008","20.6832","0.0014","90","","90","","90","","4108.4","0.4","100","","100","","","","","","","","","6","P 21 n b","P -2bc 2a","33","Compound 13","","","- C42 H52 Cl2 N4 O3 V -","- C42 H52 Cl2 N4 O3 V -","- C168 H208 Cl8 N16 O12 V4 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71075","MoKα","","0.0776","0.0505","","","0.0899","0.0978","","","","","","1.043","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1556333","14.483","0.002","14.483","0.002","58.042","0.012","90","","90","","90","","12175","3","200","2","200","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H84 B Cl2 F4 P6 Rh3 -","- C54 H84 B Cl2 F4 P6 Rh3 -","- C432 H672 B8 Cl16 F32 P48 Rh24 -","8","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0326","0.0251","","","0.0423","0.0432","","","","","","0.876","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556334","13.136","0.003","13.405","0.003","14.779","0.003","85.58","0.03","68.44","0.03","68.06","0.03","2239.6","1.1","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0611","0.053","","","0.1311","0.1332","","","","","","1.017","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556335","14.1975","0.0005","16.3823","0.0004","20.5561","0.0005","90","","90","","90","","4781.1","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 Cl2 P4 Rh2 -","- C44 H72 Cl2 P4 Rh2 -","- C176 H288 Cl8 P16 Rh8 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0213","0.0184","","","0.0377","0.0381","","","","","","0.908","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556336","16.493","0.003","23.276","0.005","16.775","0.003","90","","118.1","0.03","90","","5681","2","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C270 H200 Cl12 F6 O6 P12 Rh6 S2 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.1018","0.0424","","","0.0617","0.0745","","","","","","0.554","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556337","16.431","0.003","20.348","0.004","21.116","0.004","90","","90","","90","","7060","2","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C216 H336 B4 Br3.2 Cl4.8 F16 P24 Rh12 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0321","0.0229","","","0.042","0.043","","","","","","0.769","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556338","11.2912","0.0006","16.6047","0.0006","11.4464","0.0005","90","","105.766","0.004","90","","2065.32","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H56 Br2 P4 Rh2 -","- C36 H56 Br2 P4 Rh2 -","- C72 H112 Br4 P8 Rh4 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0204","0.0198","","","0.0498","0.05","","","","","","1.04","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556339","12.416","0.003","12.444","0.003","18.186","0.004","95.81","0.03","94.37","0.03","111.98","0.03","2572.3","1.2","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H86 B F4 O2 P6 Rh3 -","- C36 H84 B F4 O2 P6 Rh3 -","- C72 H168 B2 F8 O4 P12 Rh6 -","2","2","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0324","0.0256","","","0.0513","0.052","","","","","","0.971","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556340","9.6676","0.0019","12.005","0.002","12.658","0.003","109.83","0.03","94.19","0.03","90.56","0.03","1377.3","0.6","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0274","0.0236","","","0.0486","0.049","","","","","","0.991","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556341","29.0844","0.001","15.042","0.0005","16.3344","0.0006","90","","108.315","0.002","90","","6784.1","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H30 Cl2 F6 N6 O3 P2 Ru -","- C30.5 H30 Cl2 F6 N6 O3 P2 Ru -","- C244 H240 Cl16 F48 N48 O24 P16 Ru8 -","8","1","","Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.","Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts","Catal. Sci. Technol.","2013","3","3","706","","10.1039/C2CY20616A","","","0.71073","MoKα","","0.0471","0.0349","","","0.0798","0.0858","","","","","","1.026","","","","has coordinates,has disorder","244218","2020-10-21","18:00:00",""
"1556342","10.9643","0.0007","11.9921","0.0008","15.491","0.0015","110.491","0.005","99.026","0.004","107.666","0.003","1737.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru -","- C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru -","- C61 H61 Cl4 F12 N12 O6.5 P4 Ru2 -","2","1","","Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.","Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts","Catal. Sci. Technol.","2013","3","3","706","","10.1039/C2CY20616A","","","0.71073","MoKα","","0.0622","0.0502","","","0.1284","0.1367","","","","","","1.028","","","","has coordinates,has disorder","244218","2020-10-21","18:00:00",""
"1556343","13.6143","0.0003","13.6143","0.0003","38.6616","0.0008","90","","90","","90","","7165.9","0.3","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C80 H102 Al Cl N4 O6 S2 -","- C80 H102 Al Cl N4 O6 S2 -","- C320 H408 Al4 Cl4 N16 O24 S8 -","4","0.5","","Ternel, Jérémy; Roussel, Pascal; Agbossou-Niedercorn, Francine; Gauvin, Régis M.","Dismantling the salen framework: design of new asymmetric silylcyanation catalysts","Catal. Sci. Technol.","2013","3","3","580","","10.1039/C2CY20818K","","","0.71073","MoKα","","0.1165","0.0828","","0.172","0.0849","0.0751","","","","","","1.0916","","","","has coordinates","244219","2020-10-21","18:00:00",""
"1556344","23.8831","0.0004","20.6857","0.0003","20.2699","0.0003","90","","92.546","0.001","90","","10004.2","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H253 Br7 Co6 O75 Ti27 -","- C107.94 H244.86 Br7 Co6 O75 Ti27 -","- C215.88 H489.72 Br14 Co12 O150 Ti54 -","2","0.5","","Lv, Yaokang; Willkomm, Janina; Steiner, Alexander; Gan, Lihua; Reisner, Erwin; Wright, Dominic S.","Encapsulation of a ‘naked’ Br− anion in a polyoxotitanate host","Chemical Science","2012","3","8","2470","","10.1039/c2sc20193c","","","0.71073","MoKα","","0.1064","0.0785","","","0.2167","0.2382","","","","","","0.971","","","","has coordinates,has disorder","244372","2020-10-21","18:00:00",""
"1556345","11.3168","0.0003","13.0498","0.0003","19.2278","0.0004","95.398","0.0019","103.654","0.002","97.2625","0.0019","2714.5","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C22.5 H27 Cl F6 I N2 O2 Os P -","- C22.5 H26 Cl F6 I N2 O2 Os P -","- C90 H104 Cl4 F24 I4 N8 O8 Os4 P4 -","4","2","","Fu, Ying; Romero, María J.; Habtemariam, Abraha; Snowden, Michael E.; Song, Lijiang; Clarkson, Guy J.; Qamar, Bushra; Pizarro, Ana M.; Unwin, Patrick R.; Sadler, Peter J.","The contrasting chemical reactivity of potent isoelectronic iminopyridine and azopyridine osmium(ii) arene anticancer complexes","Chemical Science","2012","3","8","2485","","10.1039/c2sc20220d","","","0.71073","MoKα","","0.045","0.0332","","","0.0793","0.0817","","","","","","1.061","","","","has coordinates,has disorder","244373","2020-10-21","18:00:00",""
"1556346","7.9553","0.0006","7.9553","0.0006","18.7605","0.0013","90","","90","","90","","1187.29","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","(H2im)2SO4.2H2O","IMIDAZOLIUM SULFATE DIHYDRATE","","- C6 H14 N4 O6 S -","- C6 H14 N4 O6 S -","- C24 H56 N16 O24 S4 -","4","0.5","","Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav","Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal–organic materials","Chemical Science","2012","3","8","2495","","10.1039/c2sc20344h","","","0.71073","MoKα","","0.0274","0.0256","","","0.0701","0.0711","","","","","","1.102","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556347","17.5328","0.0003","30.3514","0.0005","49.1818","0.0008","90","","90","","90","","26171.9","0.8","298","2","298","2","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- C144 Cu6 O42 P3 -","- C144 Cu6 O42 P3 -","- C288 Cu12 O84 P6 -","2","0.25","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0895","0.065","","","0.1796","0.1907","","","","","","1.083","","","","has coordinates,has disorder","244375","2020-10-21","18:00:00",""
"1556348","24.4616","0.0004","24.4616","0.0004","71.8721","0.0012","90","","90","","90","","43006.1","1.2","298","2","298","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C48 H24 Cu2 O14 P -","- C48 H24 Cu2 O14 P -","- C384 H192 Cu16 O112 P8 -","8","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.0408","0.0271","","","0.0501","0.053","","","","","","0.811","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556349","18.744","0.0008","18.744","0.0008","29.259","0.0012","90","","90","","90","","10279.8","0.8","296","2","296","2","","","","","","","","3","P 42 2 2","P 4c 2","93","","","","- C26 Cu O5 -","- C26 Cu O6 -","- C104 Cu4 O24 -","4","0.5","","Zheng, Min; Liu, Yan; Wang, Cheng; Liu, Shubin; Lin, Wenbin","Cavity-induced enantioselectivity reversal in a chiral metal‒organic framework Brønsted acid catalyst","Chemical Science","2012","3","8","2623","","10.1039/c2sc20379k","","","1.54178","CuKα","","0.2003","0.164","","","0.4129","0.438","","","","","","1.276","","","","has coordinates","244375","2020-10-21","18:00:00",""
"1556350","14.7976","0.0003","23.2598","0.0005","20.8144","0.0004","90","","92.145","0.002","90","","7159.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H75 K N7 Nd O10 -","- C79 H75 K N7 Nd O10 -","- C316 H300 K4 N28 Nd4 O40 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0853","0.0469","","","0.0937","0.1061","","","","","","1.021","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556351","16.1709","0.0013","17.5403","0.0013","19.5362","0.0015","90.671","0.006","113.704","0.007","96.867","0.006","5026.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108.1 H150.89 K N4 Nd O12 -","- C108.094 H150.886 K N4 Nd O12 -","- C216.188 H301.772 K2 N8 Nd2 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1413","0.0706","","","0.1354","0.1475","","","","","","0.963","","","","has coordinates","244376","2020-10-21","18:00:00",""
"1556352","15.6191","0.0005","27.7932","0.0008","19.045","0.0006","90","","97.395","0.003","90","","8198.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C177.5 H141.5 K9 N23.5 Nd3 O12 -","- C355 H283 K18 N47 Nd6 O24 -","2","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0914","0.0626","","","0.1206","0.1355","","","","","","1.054","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556353","14.5693","0.0013","30.262","0.003","14.6011","0.0013","90","","108.494","0.009","90","","6105.1","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 K3 N9 O4 Tb -","- C65 H53 K3 N9 O4 Tb -","- C260 H212 K12 N36 O16 Tb4 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.1479","0.1004","","","0.2392","0.2722","","","","","","1.055","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556354","14.0578","0.0005","12.1559","0.0004","19.078","0.0007","90","","89.466","0.004","90","","3260","0.2","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C64 H78 I K2 N4 Nd O16 -","- C64 H78 I K2 N4 Nd O16 -","- C128 H156 I2 K4 N8 Nd2 O32 -","2","0.5","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0937","0.0654","","","0.1776","0.1999","","","","","","1.074","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556355","13.3718","0.0003","15.0596","0.0003","19.3034","0.0004","90","","102.603","0.002","90","","3793.54","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H45.5 K N3.5 Nd O8 -","- C39.5 H45.5 K N3.5 Nd O8 -","- C158 H182 K4 N14 Nd4 O32 -","4","1","","Camp, Clément; Guidal, Valentin; Biswas, Biplab; Pécaut, Jacques; Dubois, Lionel; Mazzanti, Marinella","Multielectron redox chemistry of lanthanide Schiff-base complexes","Chemical Science","2012","3","8","2433","","10.1039/C2SC20476B","","","0.71073","MoKα","","0.0613","0.0384","","","0.0731","0.0796","","","","","","1.036","","","","has coordinates,has disorder","244376","2020-10-21","18:00:00",""
"1556356","11.3941","0.0002","12.6121","0.0002","14.341","0.0002","66.008","0.001","82.323","0.001","66.713","0.001","1728.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","- C65 H112 Ni2 P10 -","1","0.5","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0458","0.0408","","","0.1111","0.1159","","","","","","1.063","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556357","20.4091","0.0011","16.3489","0.0009","26.2219","0.0018","90","","111.97","0.001","90","","8114","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C87 H114 O2 P8 Pt2 -","- C87 H114 O2 P8 Pt2 -","- C348 H456 O8 P32 Pt8 -","4","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0459","0.0329","","","0.0571","0.0612","","","","","","1.015","","","","has coordinates,has disorder","244377","2020-10-21","18:00:00",""
"1556358","12.3521","0.0003","14.0198","0.0003","23.3487","0.0005","74.059","0.001","80.729","0.001","82.851","0.001","3823.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H106 O P8 Pd2 -","- C83 H106 O P8 Pd2 -","- C166 H212 O2 P16 Pd4 -","2","1","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0594","0.0539","","","0.1587","0.1624","","","","","","1.264","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556359","23.055","0.0002","23.055","0.0002","31.0318","0.0004","90","","90","","120","","14284.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C108 H126 Ni2 P8 -","- C108 H126 Ni2 P8 -","- C648 H756 Ni12 P48 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","1.54178","CuKα","","0.0376","0.0327","","","0.0855","0.0905","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556360","23.0523","0.0008","23.0523","0.0008","31.4482","0.0011","90","","90","","120","","14472.9","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H126 As2 Ni2 P6 -","- C108 H126 As2 Ni2 P6 -","- C648 H756 As12 Ni12 P36 -","6","0.333333","","Tofan, Daniel; Cummins, Christopher C.","Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals","Chemical Science","2012","3","8","2474","","10.1039/c2sc20559a","","","0.71073","MoKα","","0.0368","0.0277","","","0.0695","0.0766","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556361","9.307","0.0001","11.3957","0.0001","19.4004","0.0002","87.957","0.001","81.71","0.001","71.96","0.001","1935.92","0.04","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1822","","","- C44 H54 Mg N2 O -","- C44 H54 Mg N2 O -","- C88 H108 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0846","0.0491","","","0.1284","0.147","","","","","","1.038","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556362","9.2133","0.0001","12.1983","0.0001","15.8164","0.0002","85.663","0.001","78.098","0.001","87.241","0.001","1733.39","0.03","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1825","","","- C37 H58 Mg N2 O -","- C37 H58 Mg N2 O -","- C74 H116 Mg2 N4 O2 -","2","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0632","0.0427","","","0.1078","0.118","","","","","","1.037","","","","has coordinates","244378","2020-10-21","18:00:00",""
"1556363","18.122","0.0002","14.9771","0.0002","18.2681","0.0002","90","","103.969","0.001","90","","4811.6","0.1","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Chisholm 1828","","","- C52 H70 Mg N2 O4 -","- C52 H70 Mg N2 O4 -","- C208 H280 Mg4 N8 O16 -","4","1","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.1069","0.0602","","","0.1608","0.1876","","","","","","1.028","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556364","18.4898","0.0003","18.3357","0.0003","12.0991","0.0002","90","","123.001","0.001","90","","3440.09","0.11","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","Chisholm 1855","","","- C72 H114 Mg2 N4 O2 -","- C72 H114 Mg2 N4 O2 -","- C144 H228 Mg4 N8 O4 -","2","0.25","","Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M.","Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study","Chemical Science","2012","3","12","3445","","10.1039/c2sc21017g","","x-ray","0.71073","MoKα","","0.0837","0.0596","","","0.1595","0.1745","","","","","","1.037","","","","has coordinates,has disorder","244378","2020-10-21","18:00:00",""
"1556365","28.1795","0.0007","14.8684","0.0004","8.9668","0.0002","90","","90","","90","","3756.95","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H50 Dy3 N8 O21 -","- C22 H49 Dy3 N8 O21 -","- C88 H196 Dy12 N32 O84 -","4","1","","Wang, Yu-Xia; Shi, Wei; Li, Han; Song, You; Fang, Liang; Lan, Yanhua; Powell, Annie K.; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Shen, Mingrong; Cheng, Peng","A single-molecule magnet assembly exhibiting a dielectric transition at 470 K","Chemical Science","2012","3","12","3366","","10.1039/c2sc21023a","","","0.71073","MoKα","","0.0412","0.0404","","","0.0987","0.0993","","","","","","1.06","","","","has coordinates","244379","2020-10-21","18:00:00",""
"1556366","10.762","0.0003","11.0051","0.0003","25.8757","0.0009","85.0791","0.0015","82.5425","0.0016","64.607","0.0015","2743.58","0.15","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H35 N O7 P Si2 W -","- C19 H35 N O7 P Si2 W -","- C76 H140 N4 O28 P4 Si8 W4 -","4","2","","Schulten, Christian; von Frantzius, Gerd; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Deoxygenation of carbon dioxide by electrophilic terminal phosphinidene complexes","Chemical Science","2012","3","12","3526","","10.1039/c2sc21081a","","","0.71073","MoKα","","0.0791","0.0391","","","0.0644","0.0727","","","","","","0.878","","","","has coordinates","244380","2020-10-21","18:00:00",""
"1556367","6.2648","0.0002","8.9839","0.0003","20.5622","0.0005","90","","95.46","0.001","90","","1152.04","0.06","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C48 H36 F12 N8 O4 -","4","1","","Feng, Chao; Loh, Teck-Peng","Copper-catalyzed olefinic trifluoromethylation of enamides at room temperature","Chemical Science","2012","3","12","3458","","10.1039/c2sc21164e","","","0.71073","MoKα","","0.0588","0.0454","","","0.1258","0.1427","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556368","11.3277","0.0018","18.234","0.003","15.932","0.003","90","","97.573","0.002","90","","3262","1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C24.5 H25 Cl3 F12 N5 O P2 Ru -","- C98 H100 Cl12 F48 N20 O4 P8 Ru4 -","4","1","","Ohzu, Shingo; Ishizuka, Tomoya; Hirai, Yuichirou; Jiang, Hua; Sakaguchi, Miyuki; Ogura, Takashi; Fukuzumi, Shunichi; Kojima, Takahiko","Mechanistic insight into catalytic oxidations of organic compounds by ruthenium(iv)-oxo complexes with pyridylamine ligands","Chemical Science","2012","3","12","3421","","10.1039/c2sc21195e","","","0.71073","MoKα","","0.0753","0.0512","","","0.1262","0.1407","","","","","","1.033","","","","has coordinates,has disorder","244382","2020-10-21","18:00:00",""
"1556369","11.892","0.003","7.5168","0.0013","17.092","0.004","90","","95.099","0.008","90","","1521.8","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","1.54187","CuKα","","","0.1086","","","","0.3165","","","","","","1.465","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556370","19.168","0.013","6.189","0.005","8.461","0.005","90","","90","","90","","1003.7","1.2","93","","93","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","0.5","","McBurney, Roy T.; Harper, Andrew D.; Slawin, Alexandra M. Z.; Walton, John C.","An all-purpose preparation of oxime carbonates and resultant insights into the chemistry of alkoxycarbonyloxyl radicals","Chemical Science","2012","3","12","3436","","10.1039/c2sc21298f","","","0.71075","MoKα","","","0.1057","","","","0.2968","","","","","","1.134","","","","has coordinates","244383","2020-10-21","18:00:00",""
"1556371","7.129","0.003","11.454","0.005","19.387","0.009","90","","90","","90","","1583.1","1.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N4 O3 -","- C17 H15 Cl N4 O3 -","- C68 H60 Cl4 N16 O12 -","4","1","","Siddiqui, Zeba N.; Khan, Tabassum","P2O5/SiO2 as an efficient heterogeneous catalyst for the synthesis of heterocyclic alkene derivatives under thermal solvent-free conditions","Catalysis Science & Technology","2013","3","8","2032","","10.1039/c3cy00095h","","","0.71073","MoKα","","0.1887","0.1524","","","0.3606","0.3845","","","","","","1.184","","","","has coordinates","244406","2020-10-21","18:00:00",""
"1556372","10.53","0.003","10.579","0.003","10.773","0.004","109.248","0.002","93.156","0.002","106.287","0.002","1073","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(μ-2-methylbenzoato)bis[(2-methylbenzoic acid)copper(II)]","","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","1","0.5","","Sunil, Abraham C.; Langner, Ernst H. G.; Marais, Charlene; Bezuidenhoudt, Barend C. B.","Thermo-analytical determination of intermediates in the copper catalysed rearrangement of o-toluic acid to meta-cresol","Catalysis Science & Technology","2013","3","9","2227","","10.1039/c3cy00119a","","","0.71069","MoKα","","","0.0258","","","","0.0653","","","","","","1.048","","","","has coordinates","244407","2020-10-21","18:00:00",""
"1556373","14.2034","0.0007","11.5066","0.0007","14.6836","0.0011","90","","90","","90","","2399.8","0.3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H24 Br2 Cl2 N4 Ni -","- C19 H24 Br2 Cl2 N4 Ni -","- C76 H96 Br8 Cl8 N16 Ni4 -","4","0.5","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.0473","0.0445","","","0.1204","0.1225","","","","","","1.06","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556374","9.2765","0.0005","10.7428","0.0005","12.1287","0.0006","110.976","0.003","96.346","0.003","113.712","0.003","986.47","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl2 N4 Ni -","- C18 H22 Cl2 N4 Ni -","- C36 H44 Cl4 N8 Ni2 -","2","1","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.0398","0.0329","","","0.0893","0.0928","","","","","","1.047","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556375","9.3446","0.0018","14.994","0.003","15.681","0.003","75.599","0.01","78.411","0.01","81.522","0.011","2073.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Br2 N4 Ni -","- C18 H22 Br2 N4 Ni -","- C72 H88 Br8 N16 Ni4 -","4","2","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.1531","0.0554","","","0.1175","0.1563","","","","","","0.913","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556376","9.6013","0.0019","16.927","0.003","24.799","0.005","90","","100.77","0.03","90","","3959.4","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Br2 Cl N2 Ni -","- C45 H41 Br2 Cl N2 Ni -","- C180 H164 Br8 Cl4 N8 Ni4 -","4","1","","Jia, Dedong; Zhang, Wenjuan; Liu, Weiliang; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Unsymmetrical α-diiminonickel bromide complexes: synthesis, characterization and their catalytic behavior toward ethylene","Catalysis Science & Technology","2013","3","10","2737","","10.1039/c3cy00422h","","","0.71073","MoKα","","","0.0668","","","0.1943","0.2163","","","","","","1.079","","","","has coordinates","244409","2020-10-21","18:00:00",""
"1556377","9.922","0.002","16.84","0.003","24.975","0.005","90","","98.41","0.03","90","","4128.1","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 Br2 Cl N2 Ni -","- C47 H44 Br2 Cl N2 Ni -","- C188 H176 Br8 Cl4 N8 Ni4 -","4","1","","Jia, Dedong; Zhang, Wenjuan; Liu, Weiliang; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Unsymmetrical α-diiminonickel bromide complexes: synthesis, characterization and their catalytic behavior toward ethylene","Catalysis Science & Technology","2013","3","10","2737","","10.1039/c3cy00422h","","","0.71073","MoKα","","","0.0979","","","0.2363","0.2722","","","","","","1.193","","","","has coordinates","244409","2020-10-21","18:00:00",""
"1556378","9.6343","0.0006","9.6463","0.0007","14.2834","0.0008","76.36","0.006","88.829","0.005","63.062","0.007","1144.29","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H35 N3 Zn -","- C25 H35 N3 Zn -","- C50 H70 N6 Zn2 -","2","1","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.7107","MoKα","","0.0291","0.0267","","","0.0642","0.0658","","","","","","1.007","","","","has coordinates","244410","2020-10-21","18:00:00",""
"1556379","12.765","0.006","16.025","0.014","13.594","0.01","90","","98.6","0.06","90","","2750","3","99.97","0.15","99.97","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N3 O Zn -","- C31 H39 N3 O Zn -","- C124 H156 N12 O4 Zn4 -","4","1","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.7107","MoKα","","0.0544","0.0393","","","0.0875","0.1001","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556380","10.889","0.0005","14.2911","0.0007","20.7227","0.0009","92.804","0.004","92.129","0.004","92.212","0.004","3216.1","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H47 N3 O Zn -","- C35 H47 N3 O Zn -","- C140 H188 N12 O4 Zn4 -","4","2","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.71073","MoKα","","0.115","0.0655","","","0.0986","0.111","","","","","","1.11","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556381","3.8864","0.0005","7.7824","0.0009","7.5103","0.0009","90","","98.573","0.002","90","","224.61","0.05","200","2","200","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","1","0.25","","de Almeida, M. Peixoto; Martins, L. M. D. R. S.; Carabineiro, S. A. C.; Lauterbach, T.; Rominger, F.; Hashmi, A. S. K.; Pombeiro, A. J. L.; Figueiredo, J. L.","Homogeneous and heterogenised new gold C-scorpionate complexes as catalysts for cyclohexane oxidation","Catalysis Science & Technology","2013","3","11","3056","","10.1039/c3cy00552f","","","0.71073","MoKα","","0.013","0.013","","","0.0317","0.0317","","","","","","1.187","","","","has coordinates,has disorder","244411","2020-10-21","18:00:00",""
"1556382","5.8113","0.0002","23.7797","0.0008","9.2207","0.0003","90","","95.959","0.002","90","","1267.33","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Ray, Suman; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","Porous silica nanoparticles with mesoscopic void spaces for the domino intermolecular aerobic oxidative synthesis of novel β,β′-diketoenamines","Catalysis Science & Technology","2013","3","5","1267","","10.1039/c3cy20642d","","","0.71073","MoKα","","0.0509","0.0425","","","0.1251","0.1396","","","","","","0.646","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556383","20.8644","0.0004","20.8644","0.0004","52.9489","0.0013","90","","90","","120","","19961.8","0.7","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C99 H102 N9 O6 P Zn3 -","- C99 H102 N9 O6 P Zn3 -","- C792 H816 N72 O48 P8 Zn24 -","8","0.666667","","Jacobs, Ivo; van Duin, Adri C. T.; Kleij, Arjan W.; Kuil, Mark; Tooke, Duncan M.; Spek, Anthony L.; Reek, Joost N. H.","Conformational studies of ligand-template assemblies and the consequences for encapsulation of rhodium complexes and hydroformylation catalysis","Catalysis Science & Technology","2013","3","8","1955","","10.1039/c3cy20665c","","","0.71073","MoKα","","0.0746","0.0538","","","0.1105","0.1185","","","","","","1.179","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556384","12.2117","0.0003","20.6062","0.0004","23.4209","0.0005","90","","90.957","0.002","90","","5892.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.63 H25.25 Cl3.25 Fe N6 O8 -","- C25.625 H25.25 Cl3.25 Fe N6 O8 -","- C205 H202 Cl26 Fe8 N48 O64 -","8","2","","Wong, Emma; Jeck, Jonathan; Grau, Michaela; White, Andrew J. P.; Britovsek, George J. P.","A strong-field pentadentate ligand in iron-based alkane oxidation catalysis and implications for iron(iv) oxo intermediates","Catalysis Science & Technology","2013","3","4","1116","","10.1039/c3cy20823k","","","0.71073","MoKα","","0.1246","0.0863","","","0.2159","0.2354","","","","","","1.037","","","","has coordinates,has disorder","244414","2020-10-21","18:00:00",""
"1556385","12.4043","0.0008","38.877","0.002","12.3737","0.001","90","","117.208","0.008","90","","5306.9","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 Cl4 Fe2 N11 O18 -","- C48 H45 Cl4 Fe2 N11 O18 -","- C192 H180 Cl16 Fe8 N44 O72 -","4","1","","Wong, Emma; Jeck, Jonathan; Grau, Michaela; White, Andrew J. P.; Britovsek, George J. P.","A strong-field pentadentate ligand in iron-based alkane oxidation catalysis and implications for iron(iv) oxo intermediates","Catalysis Science & Technology","2013","3","4","1116","","10.1039/c3cy20823k","","","0.71073","MoKα","","0.1683","0.0795","","","0.1365","0.1703","","","","","","0.979","","","","has coordinates,has disorder","244414","2020-10-21","18:00:00",""
"1556467","12.1981","0.0017","15.362","0.002","16.187","0.002","94.44","0.007","91.523","0.006","97.826","0.007","2993.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 Co I2 N O P2 -","- C24 H41.5 Co I1.985 N O0.64 P2 -","- C96 H166 Co4 I7.94 N4 O2.56 P8 -","4","2","","Casey, W.H.; Olmstead, M.M.; Hazlett, C.R.; Lamar, C.; Forbes, T.Z.","A New Nanometer-Sized Ga(III)-Oxyhydroxide Cation","Inorganics","2015","3","","21","26","10.3390/inorganics3010021","","x-ray","0.71075","MoKα","","0.126","0.0843","","","0.2068","0.2291","","","","","","1.078","","","","has coordinates,has disorder","244953","2020-10-21","18:00:00",""
"1556468","12.128","0.004","15.363","0.005","15.542","0.005","93.512","0.007","91.976","0.007","99.812","0.007","2845.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 Cl2 Co N O P2 -","- C24 H43 Cl1.995 Co N O0.5 P2 -","- C96 H172 Cl7.98 Co4 N4 O2 P8 -","4","2","","Casey, W.H.; Olmstead, M.M.; Hazlett, C.R.; Lamar, C.; Forbes, T.Z.","A New Nanometer-Sized Ga(III)-Oxyhydroxide Cation","Inorganics","2015","3","","21","26","10.3390/inorganics3010021","","x-ray","0.71075","MoKα","","0.2223","0.0977","","","0.1905","0.243","","","","","","1.029","","","","has coordinates,has disorder","244954","2020-10-21","18:00:00",""
"1556469","12.3039","0.0014","15.2593","0.0017","15.815","0.0018","94.088","0.007","91.371","0.006","99.49","0.007","2919.2","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 Br2 Co N O P2 -","- C24.125 H43 Br1.9985 Co N O0.3085 P2 -","- C96.5 H172 Br7.994 Co4 N4 O1.234 P8 -","4","2","","Casey, W.H.; Olmstead, M.M.; Hazlett, C.R.; Lamar, C.; Forbes, T.Z.","A New Nanometer-Sized Ga(III)-Oxyhydroxide Cation","Inorganics","2015","3","","21","26","10.3390/inorganics3010021","","x-ray","0.71075","MoKα","","0.1348","0.0881","","","0.1972","0.2209","","","","","","1.088","","","","has coordinates,has disorder","244955","2020-10-21","18:00:00",""
"1556470","17.1928","0.0004","11.2469","0.0003","18.0925","0.0004","90","","96.108","0.001","90","","3478.61","0.15","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","dpg26","","","- C37 H30 Au Cl2 Hg I P2 -","- C37 H30 Au Cl2 Hg I P2 -","- C148 H120 Au4 Cl8 Hg4 I4 P8 -","4","1","","Lopez-de-Luzuriaga J.M.; Monge, M.; Olmos, M.E.; Pascual, D.","[AuHg(o-C6H4PPh2)2I]: A Dinuclear Heterometallic Blue Emitter","Inorganics","2015","3","","27","39","10.3390/inorganics3010027","","x-ray","0.71073","MoKα","","0.0377","0.0278","","","0.0635","0.0678","","","","","","1.027","","","","has coordinates","244956","2020-10-21","18:00:00",""
"1556471","11.8078","0.0009","8.3564","0.0007","21.0767","0.0018","90","","99.052","0.006","90","","2053.8","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(bpy)(cod)(Me)][SbF6]","Methyl-2,2'-bipyridine-1,5-cyclooctadieneplatinum(II) hexafluoroantimonate","","- C19 H23 F6 N2 Pt Sb -","- C19 H23 F6 N2 Pt Sb -","- C76 H92 F24 N8 Pt4 Sb4 -","4","1","","Klein, A.; Neugebauer, M.; Krest, A.; Luning, A.; Garbe, S.; Arefyeva, N.; Schlorer, N.","Five Coordinate Platinum(II) in [Pt(bpy)(cod)(Me)][SbF6]: A Structural and Spectroscopic Study","Inorganics","2015","3","","118","138","10.3390/inorganics3020118","","","0.71073","MoKα","","0.0675","0.0644","","","0.1613","0.1629","","","","","","1.187","","","","has coordinates","244957","2020-10-21","18:00:00",""
"1556472","11.1262","0.0009","14.692","0.0014","14.7874","0.0014","70.037","0.009","85.302","0.008","81.302","0.007","2244.7","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 B2 Ce N14 -","- C42 H59 B2 Ce N14 -","- C84 H118 B4 Ce2 N28 -","2","1","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","","0.71073","MoKα","","0.0845","0.0642","","","0.1312","0.1414","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556473","14.2034","0.0004","20.625","0.0007","17.1106","0.0006","90","","95.066","0.003","90","","4992.9","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 B2 Ce N14 O2 -","- C48 H68 B2 Ce N14 O2 -","- C192 H272 B8 Ce4 N56 O8 -","4","1","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","","0.71073","MoKα","","0.0746","0.0523","","","0.1058","0.1163","","","","","","1.035","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556474","10.0579","0.0004","13.3606","0.0006","13.6905","0.0007","87.438","0.004","73.681","0.004","71.869","0.004","1676.1","0.14","100.01","0.12","100.01","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C62 H90 B4 Ce2 N20 O4 -","- C50 H74 B4 Ce2 N20 O2 -","- C50 H74 B4 Ce2 N20 O2 -","1","0.5","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","","1.54184","CuKα","","0.0496","0.0448","","","0.1119","0.1153","","","","","","1.04","","","","has coordinates","244958","2020-10-21","18:00:00",""
"1556475","11.2609","0.0003","12.5209","0.0003","16.7464","0.0004","105.035","0.002","96.314","0.002","112.313","0.003","2051.38","0.11","150.02","0.11","150.02","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C37 H52 B2 Ce N15 -","- C37 H52 B2 Ce N15 -","- C74 H104 B4 Ce2 N30 -","2","1","","Ortu, F.; Zhu, H.; Boulon, M.-E.; Mills, D.P.","Synthesis and Reactivity of a Cerium(III) Scorpionate Complex Containing a Redox Non-Innocent 2,2'-Bipyridine Ligand","Inorganics","2015","3","","534","553","10.3390/inorganics3040534","","x-ray","0.71073","MoKα","","0.0654","0.0515","","","0.1456","0.1518","","","","","","1.097","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556808","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","373","2","373.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0213","0.0206","","","0.0773","0.078","","","2.62","","","1.159","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556809","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","373","2","373.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0194","0.0179","","","0.0638","0.0654","","","2.62","","","1.089","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556810","6.5742","0.001","7.6702","0.0012","12.636","0.0019","85.26","0.011","76.735","0.011","73.823","0.011","595.5","0.16","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 Cl N -","- C6 H7 Cl N -","- C24 H28 Cl4 N4 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","powder diffraction","","","","","","","","","","","","","2.62","","","","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556811","6.57","","7.676","","12.61","","85.17","","76.79","","73.87","","594.593","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0091","0.0101","","","0.0696","0.0697","","","2.62","","","2.972","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556812","6.57","","7.676","","12.61","","85.17","","76.79","","73.87","","594.593","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0094","0.0092","","","0.0427","0.0429","","","2.62","","","1.718","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556813","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0216","0.0214","","","0.0588","0.0602","","","2.62","","","1.1","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556814","13.551","0.0005","8.0183","0.0003","14.8834","0.0004","90","","94.021","0.003","90","","1613.19","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl4 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0269","0.0262","","","0.0724","0.0738","","","2.62","","","1.111","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556815","13.589","0.003","8.0415","0.0016","14.943","0.003","90","","93.998","0.013","90","","1628.9","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,4,-dichloro-9,10-dimethylotriptycene","1,4,-dichloro-9,10-dimethylotriptycene","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","2","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0724","0.0724","","","0.1923","0.1923","","","2.62","","","1.56","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556816","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","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0245","0.0235","","","0.084","0.0856","","","2.62","","","1.289","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556817","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","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0372","0.0327","","","0.0926","0.0977","","","2.62","","","1.164","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556818","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","","","100.15","","","","","","","","","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","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0806","0.0783","","","0.2879","0.2884","","","2.62","","","1.5059","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556819","10.085","","9.811","","17.915","","90","","101.64","","90","","1736.13","","","","","","","","","","","","","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","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0162","0.0149","","","0.0359","0.036","","","2.62","","","3.921","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556820","10.085","","9.811","","17.915","","90","","101.64","","90","","1736.13","","","","","","","","","","","","","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","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0221","0.0189","","","0.038","0.0382","","","2.62","","","3.009","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556821","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0214","0.021","","","0.0652","0.0656","","","2.62","","","1.505","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556822","15.0905","0.001","11.4741","0.0008","9.9484","0.0006","90","","90","","90","","1722.6","0.2","90","2","90","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0253","0.0226","","","0.0632","0.0657","","","2.62","","","1.187","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556823","15.119","0.004","11.492","0.003","9.967","0.003","90","","90","","90","","1731.7","0.8","293","2","293","2","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C80 H120 Fe4 -","4","0.25","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0886","0.0886","","","0.2442","0.2442","","","2.62","","","1.88","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556824","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0252","0.025","","","0.0627","0.0629","","","2.62","","","1.091","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556825","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0337","0.0328","","","0.0935","0.0943","","","2.62","","","1.122","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556826","8.1019","0.0013","8.1922","0.0013","20.442","0.003","90","","90","","90","","1356.8","0.4","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","triptycene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0726","0.0672","","","0.1557","0.1616","","","2.62","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556827","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0111","0.0109","","","0.0325","0.0326","","","2.62","","","1.226","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556828","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.017","0.0161","","","0.0404","0.0407","","","2.62","","","1.17","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1561479","10.6741","0.0002","14.2858","0.0002","17.5012","0.0003","90","","99.597","0.002","90","","2631.37","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloropentaphenyldisiloxane","","- C30 H25 Cl O Si2 -","- C30 H25 Cl O Si2 -","- C120 H100 Cl4 O4 Si8 -","4","1","","Bauer, Jonathan O.; Götz, Tobias","Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane","Chemistry","2021","3","2","444","453","10.3390/chemistry3020033","","","1.39222","CuKβ","","0.0397","0.0347","","","0.0954","0.0994","","","","","","1.045","","","","has coordinates","301787","2025-08-18","22:19:34",""
"2000117","12.34","0.002","12.596","0.001","14.717","0.002","107.239","0.008","89.83","0.01","114.313","0.008","1972.29","","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C16 H80 Cd3 Mo12 N4 Na2 O72 P8 -","- C16 Cd5 Mo12 N4 Na2 O84 P8 -","- C16 Cd5 Mo12 N4 Na2 O84 P8 -","1","0.5","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters","Chemistry - A European Journal","1997","3","11","1797","1800","10.1002/chem.19970031111","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000118","11.943","0.001","13.339","0.002","26.765","0.003","85.33","0.01","86.87","0.01","64.08","0.01","3821.36","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H148 Cd9 Mo24 N8 O139 P16 -","- C32 Cd12 Mo24 N8 O154 P16 -","- C32 Cd12 Mo24 N8 O154 P16 -","1","0.5","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters","Chemistry - A European Journal","1997","3","11","1797","1800","10.1002/chem.19970031111","","","","","","","0.04","","","0.04","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000124","10.283","0.011","12.096","0.012","16.911","0.019","76.07","0.11","72.38","0.07","65.2","0.07","1804.07","","","","293","","","","","","","","","7","P -1","-P 1","2","catena-(3-(2-Ammonioethylammonio)propylammonium Mu-17)","","","- C10 H39 F2 Ga6 N6 O30 P7 -","- C10 H39 F3 Ga12 N6 O39 P7 -","- C20 H78 F6 Ga24 N12 O78 P14 -","2","1","","Matijasic, Alain; Gramlich, Volker; Patarin, Joël","Mu-17: a new member of the gallophosphate family prepared by the fluoride route","Solid State Sciences","2001","3","1-2","155","167","10.1016/S1293-2558(00)01122-5","","","","","","","0.0316","","","0.0316","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2300552","3.592","","3.592","","13.072","","90","","90","","120","","146.065","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Hg In -","- Hg In -","- Hg3 In3 -","3","0.0833333","","Mascarenhas, Y.P.","X-ray diffraction studies of the Hg-In alloy system","Journal of Applied Crystallography","1970","3","","294","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310087","9.14","","12.45","","3.05","","90","","90","","90","","347.069","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Mg3 (Mg0.4 Fe0.6) Fe2 (B2 O10)","","- B2 Fe2.6 Mg3.4 O10 -","- B2 Fe2.6 Mg3.4 O10 -","- B4 Fe5.2 Mg6.8 O20 -","2","0.25","","Ito, T.; Watanabe, T.; Takeuchi, Y.","The crystal structures of warwickite, ludwigite and pinakiolite","Acta Crystallographica (1,1948-23,1967)","1950","3","","98","107","10.1107/S0365110X50000252","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310088","5.36","","5.98","","12.73","","90","","120.57","","90","","351.319","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Mg3 Mn3 (B2 O10)","","- B2 Mg3 Mn3 O10 -","- B2 Mg3 Mn3 O10 -","- B4 Mg6 Mn6 O20 -","2","0.5","","Watanabe, T.; Ito, T.; Takeuchi, Y.","The crystal structures of warwickite, ludwigite and pinakiolite","Acta Crystallographica (1,1948-23,1967)","1950","3","","98","107","10.1107/S0365110X50000252","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310165","10.37","","10.37","","5.21","","90","","90","","90","","560.267","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ni U6 -","- Ni U6 -","- Ni4 U24 -","4","0.125","","Baenziger, N.C.; Wilson, A.S.; Snow, A.I.; Rundle, R.E.","Compounds of uranium with the transition metals of the first long period","Acta Crystallographica (1,1948-23,1967)","1950","3","","34","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310166","4.966","","4.966","","8.252","","90","","90","","120","","176.24","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni2 U -","- Ni2 U -","- Ni8 U4 -","4","0.166667","","Baenziger, N.C.; Rundle, R.E.; Wilson, A.S.; Snow, A.I.","Compounds of uranium with the transition metals of the first long period","Acta Crystallographica (1,1948-23,1967)","1950","3","","34","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310270","6.3557","","6.3557","","6.3557","","90","","90","","90","","256.738","","","","","","","","","","","","","2","I 21 3","I 2b 2c 3","199","","","","- Co U -","- Co U -","- Co8 U8 -","8","0.333333","","Baenziger, N.C.; Rundle, R.E.; Snow, A.I.; Wilson, A.S.","Compounds of uranium with the transition metals of the first long period","Acta Crystallographica (1,1948-23,1967)","1950","3","","34","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310271","7.033","","7.033","","7.033","","90","","90","","90","","347.874","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu5 U -","- Cu5 U -","- Cu20 U4 -","4","0.0416667","","Baenziger, N.C.; Wilson, A.S.; Rundle, R.E.; Snow, A.I.","Compounds of uranium with the transition metals of the first long period","Acta Crystallographica (1,1948-23,1967)","1950","3","","34","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311065","9.8","","9.8","","2.86","","90","","90","","90","","274.674","","","","","","","","","","","","","10","I 4/m","-I 4","87","","Mn6.952 Fe0.64 Al0.264 Si0.016 Ba0.47 K0.328 Pb0.112 Na0.11 (O H)1.414 O14.586","","- Al0.264 Ba0.47 Fe0.64 H1.414 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 -","- Al0.264 Ba0.47 Fe0.64 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 -","- Al0.264 Ba0.47 Fe0.64 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 -","1","0.0625","","Bystroem, A.; Bystroem, A.M.","The crystal structure of hollandite, the related manganese oxide minerals, and alpha-Mn O2","Acta Crystallographica (1,1948-23,1967)","1950","3","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311075","9.2","","9.45","","3.01","","90","","90","","90","","261.689","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","(Mg3 Ti) (B O3)2 O2","","- B2 Mg3 O8 Ti -","- B2 Mg3 O8 Ti -","- B4 Mg6 O16 Ti2 -","2","0.25","","Takeuchi, Y.; Ito, T.; Watanabe, T.","The crystal structures of warwickite, ludwigite and pinakiolite","Acta Crystallographica (1,1948-23,1967)","1950","3","","98","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311076","5.41","","5.41","","6.57","","90","","90","","120","","166.529","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- N2 O5 -","- N2 O5 -","- N4 O10 -","2","0.0833333","","Grison, E.; Eriks, K.; de Vries, J.L.","Structure Cristalline de l'Anhydride Azotique, N2 O5","Acta Crystallographica (1,1948-23,1967)","1950","3","","290","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:02",""
"4029737","5.3485","0.0005","7.4424","0.0007","33.559","0.003","90","","90","","90","","1335.8","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O2 S -","- C16 H11 N O2 S -","- C64 H44 N4 O8 S4 -","4","1","","Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B.","Variations in product in reactions of naphthoquinone with primary amines.","Beilstein journal of organic chemistry","2007","3","1","10","","10.1186/1860-5397-3-10","","","0.71073","MoKα","","0.0961","0.0461","","","0.1007","0.1352","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029744","4.3029","0.0008","12.249","0.002","23.927","0.006","90","","90","","90","","1261.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B.","Variations in product in reactions of naphthoquinone with primary amines.","Beilstein journal of organic chemistry","2007","3","1","10","","10.1186/1860-5397-3-10","","","0.71073","MoKα","","0.1538","0.0681","","","0.1446","0.1795","","","","","","0.885","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029749","3.8313","0.0005","12.5135","0.0018","14.2512","0.0019","112.212","0.009","93.326","0.011","93.864","0.011","628.52","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C32 H22 N2 O6 -","2","1","","Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B.","Variations in product in reactions of naphthoquinone with primary amines.","Beilstein journal of organic chemistry","2007","3","1","10","","10.1186/1860-5397-3-10","","","0.71073","MoKα","","0.1295","0.0669","","","0.1804","0.212","","","","","","1.047","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029755","5.4646","0.0011","11.742","0.002","13.204","0.002","69.478","0.011","85.113","0.011","85.709","0.012","789.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C36 H48 N4 O2 -","2","1","","Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B.","Variations in product in reactions of naphthoquinone with primary amines.","Beilstein journal of organic chemistry","2007","3","1","10","","10.1186/1860-5397-3-10","","","0.71073","MoKα","","0.176","0.0785","","","0.2076","0.2846","","","","","","0.892","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029759","11.7463","0.0003","9.5792","0.0002","17.6727","0.0004","90","","99.284","0.002","90","","1962.49","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B.","Variations in product in reactions of naphthoquinone with primary amines.","Beilstein journal of organic chemistry","2007","3","1","10","","10.1186/1860-5397-3-10","","","0.71073","MoKα","","0.0833","0.0477","","","0.1359","0.163","","","","","","0.976","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029764","10.5103","0.0016","7.5216","0.0012","24.079","0.004","90","","93.496","0.003","90","","1900","0.5","193","2","193","2","","","","","","","Na2CO3/MeOH treatment of salvinorin A from Salvia divinorum leaves","3","P 1 21 1","P 2yb","4","8-epi-salvinorin B","(2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 2-(3-furanyl)-dodecahydro-9-hydroxy-6a,10b-dimethyl-4,10-dioxo- 2H-naphtho[2,1-c]pyran-7-carboxylate","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","2","","Munro, Thomas A.; Duncan, Katharine K.; Staples, Richard J.; Xu, Wei; Liu-Chen, Lee-Yuan; Béguin, Cécile; Carlezon, Jr, William A; Cohen, Bruce M.","8-epi-Salvinorin B: crystal structure and affinity at the kappa opioid receptor.","Beilstein journal of organic chemistry","2007","3","1","1","","10.1186/1860-5397-3-1","","","0.71073","MoKα","","0.0481","0.0427","","","0.0934","0.0962","","","","","","1.01","","","","has coordinates,has Fobs","301812","2025-08-19","20:48:34",""
"4029772","14.3618","0.001","7.5472","0.0006","18.9922","0.0014","90","","91.838","0.004","90","","2057.5","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","melamine + uracil","","","- C7 H10 N8 O2 -","- C7 H10 N8 O2 -","- C56 H80 N64 O16 -","8","1","","Thomas, Reji; Kulkarni, G. U.","A hydrogen-bonded channel structure formed by a complex of uracil and melamine.","Beilstein journal of organic chemistry","2007","3","1","17","","10.1186/1860-5397-3-17","","","0.71073","MoKα","","0.0443","0.0373","","","0.1053","0.1089","","","","","","1.043","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4031642","6.96","","6.96","","6.96","","90","","90","","90","","337.154","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni3 V Zr2 -","- Ni3 V Zr2 -","- Ni12 V4 Zr8 -","4","0.0208333","","Cherkashin, E.E.; Kripyakevich, P.I.; Gladyshevskii, E.I.; Kuz'ma, Yu.B.","X-ray structural analysis of certain systems of transition metals","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1958","3","","135","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4036721","9.0188","0.0008","21.1444","0.0019","10.7833","0.0009","90","","111.097","0.002","90","","1918.5","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H50 N4 O6 -","- C42 H50 N4 O6 -","- C84 H100 N8 O12 -","2","1","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0419","0.0357","","","0.0756","0.0789","","","","","","1.025","","","","has coordinates","235132","2020-10-21","18:00:00",""
"4036722","37.839","0.004","25.19","0.002","13.63","0.0014","90","","101.307","0.002","90","","12739","2","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H36 Cl2 N4 O4 -","- C36 H36 Cl2 N4 O4 -","- C432 H432 Cl24 N48 O48 -","12","3","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0858","0.0668","","","0.1739","0.1865","","","","","","1.011","","","","has coordinates,has disorder","235132","2020-10-21","18:00:00",""
"4036723","13.811","0.003","13.811","0.003","20.076","0.004","90","","90","","90","","3829.4","1.4","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","","","- C37 H36 Br2 Cl3 D N4 O4 -","- C37 H36 Br2 Cl3 D N4 O4 -","- C148 H144 Br8 Cl12 D4 N16 O16 -","4","1","","Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin","Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy.","Organic chemistry frontiers : an international journal of organic chemistry","2016","3","12","1716","1724","10.1039/C6QO00521G","","","0.71073","MoKα","","0.0397","0.0317","","","0.0679","0.0706","","","","","","1.027","","","","has coordinates","235132","2020-10-21","18:00:00",""
"4063076","11.3951","0.0011","12.6564","0.0011","14.1142","0.0011","83.967","0.003","71.381","0.004","69.055","0.003","1801.5","0.3","110","1","110","1","","","","","","","","4","P -1","-P 1","2","","","","- C43 H43 N3 Zr -","- C43 H43 N3 Zr -","- C86 H86 N6 Zr2 -","2","1","","Tsurugi, Hayato; Matsuo, Yutaka; Yamagata, Tsuneaki; Mashima, Kazushi","Intramolecular Benzylation of an Imino Group of Tridentate 2,5-Bis(N-aryliminomethyl)pyrrolyl Ligands Bound to Zirconium and Hafnium Gives Amido-Pyrrolyl Complexes That Catalyze Ethylene Polymerization","Organometallics","2004","3","11","2797","2805","10.1021/om049873i","","","","","","","","","","","","","","","","","","","","","has coordinates","302335","2025-10-02","13:23:38",""
"4063077","15.3212","0.0003","13.2839","0.0003","22.0592","0.0004","90","","98.9295","0.0004","90","","4435.21","0.14","153","1","153","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 N3 Zr -","- C51 H59 N3 Zr -","- C204 H236 N12 Zr4 -","4","1","","Tsurugi, Hayato; Matsuo, Yutaka; Yamagata, Tsuneaki; Mashima, Kazushi","Intramolecular Benzylation of an Imino Group of Tridentate 2,5-Bis(N-aryliminomethyl)pyrrolyl Ligands Bound to Zirconium and Hafnium Gives Amido-Pyrrolyl Complexes That Catalyze Ethylene Polymerization","Organometallics","2004","3","11","2797","2805","10.1021/om049873i","","","","","","","","","","","","","","","","","","","","","has coordinates","302335","2025-10-02","13:23:41",""
"4086214","6.912","","9.5","","13.235","","82.63","","87.43","","72.3","","821.067","","","","","","","","","","","","","4","P -1","-P 1","2","","Os3 (C O)10 S","","- C10 O10 Os3 S -","- C10 O10 Os3 S -","- C20 O20 Os6 S2 -","2","1","","Adams, R.D.; Horvath, I.T.; Kim, H.S.","Synthesis of ... Cluster Compounds by the Photochemical Decomposition of H Os3 (C O)9 (mue-S Ph) and its Subsequent Reactions with Selected Small Molecules. Synthesis and ... Structure of Os3 (C O)9 (mue3-C O) (mue3-S)","Organometallics","1984","3","","548","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086215","11.119","","11.357","","12.904","","104.51","","91.12","","108.8","","1484.39","","","","","","","","","","","","","4","P -1","-P 1","2","","Os6 (C O)19 S","","- C19 O19 Os6 S -","- C19 O19 Os6 S -","- C38 O38 Os12 S2 -","2","1","","Adams, R.D.; Horvath, I.T.; Mathur, P.","Cluster Synthesis. 5. Synthesis and Crystal and Molecular Structures of Os6 (C O)19 (mue3-S) and Os6 (C O)17 (mue4-S)","Organometallics","1984","3","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086216","11.371","","16.55","","14.14","","90","","90","","90","","2661.01","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Os6 (C O)17 S","","- C17 O17 Os6 S -","- C17 O17 Os6 S -","- C68 O68 Os24 S4 -","4","1","","Adams, R.D.; Horvath, I.T.; Mathur, P.","Cluster Synthesis. 5. Synthesis and Crystal and Molecular Structures of Os6 (C O)19 (mue3-S) and Os6 (C O)17 (mue4-S)","Organometallics","1984","3","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343759","10.33","","10.33","","20.36","","90","","90","","120","","1881.52","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Re3 Cl9","","- Cl9 Re3 -","- Cl9 Re3 -","- Cl54 Re18 -","6","0.166667","","Cotton, F.A.; Mague, J.T.","The existence of the Re3 Cl9 cluster in anhydrous rhenium(III) chloride and its persistence in solutions of rhenium(III) chloride","Inorganic Chemistry","1964","3","","1402","1407","","","","","","","","","","","","","","","","","","","","","","has coordinates","148722","2020-10-21","18:00:00",""
"4344185","9.607","","9.607","","5.508","","90","","90","","120","","440.251","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","K2 Re H9","","- H9 K2 Re -","- H9 K2 Re -","- H27 K6 Re3 -","3","0.25","","Abrahams, S.C.; Ginsberg, A.P.; Knox, K.","Transition metal-hydrogen compounds. II. The crystal and molecular structure of potassium rhenium hydride, K2 Re H9","Inorganic Chemistry","1964","3","","558","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344314","12.18","","6.35","","19.2","","90","","93.3","","90","","1482.52","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Mn (C O)5) H","","- C5 H Mn O5 -","- C5 Mn O5 -","- C40 Mn8 O40 -","8","1","","la Placa, S.J.; Hamilton, W.C.; Ibers, J.A.","Crystal and molecular structure of manganese pentacarbonyl hydride","Inorganic Chemistry","1964","3","","1491","1495","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"4344315","5.681","","5.681","","5.681","","90","","90","","90","","183.347","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Si P2","","- P2 Si -","- P2 Si -","- P8 Si4 -","4","0.166667","","Chattopadhyay, T.K.; von Schnering, H.G.","Electron density distribution in Si P2 with the pyrite structure","Studies in Inorganic Chemistry","1983","3","","761","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344317","3.657","","3.657","","17.91","","90","","90","","120","","207.432","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sc2.055 S3","","- S3 Sc2.055 -","- S3 Sc2.055 -","- S6 Sc4.11 -","2","0.0555556","","Dismukes, J.P.; White, J.G.","The preparation, properties and crystal structures of some scandium sulfides in the range Sc2 S3 - Sc S","Inorganic Chemistry","1964","3","","1220","1228","","","","","","","","","","","","","","","","","","","","","","has coordinates","166138","2020-10-21","18:00:00",""
"4344373","18.44","","10.103","","5.875","","90","","90","","90","","1094.51","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na4 Xe O6 (H2 O)6","","- H12 Na4 O12 Xe -","- Na4 O12 Xe -","- Na16 O48 Xe4 -","4","0.5","","Zalkin, A.; Forrester, J.D.; Templeton, D.H.","The Crystal Structure of Sodium Perxenate Hexahydrate","Inorganic Chemistry","1964","3","","1417","1421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344515","4.877","","21.187","","5.307","","90","","91.42","","90","","548.199","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(Ag C N) (Ag Cl O4)2 (H2 O)2","","- C H4 Ag3 Cl2 N O10 -","- C Ag3 Cl2 N O10 -","- C2 Ag6 Cl4 N2 O20 -","2","1","","Guo, G.-C.; Wang, Q.-M.; Mak, T.","Variation of (Ag C N) chain configuration in silver(I) double salts: crystal structures of Ag C N * 2Ag N O3 and Ag C N * 2Ag Cl O4 * 2H2 O","Inorganic Chemistry Communications","2000","3","","313","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344525","5.345","","11.366","","6.233","","90","","101.98","","90","","370.415","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Ag C N) (Ag N O3)2","","- C Ag3 N3 O6 -","- C Ag3 N3 O6 -","- C2 Ag6 N6 O12 -","2","0.5","","Guo, G.-C.; Wang, Q.-M.; Mak, T.","Variation of (Ag C N) chain configuration in silver(I) double salts: crystal structures of Ag C N * 2Ag N O3 and Ag C N * 2Ag Cl O4 * 2H2 O","Inorganic Chemistry Communications","2000","3","","313","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344926","13.216","0.007","8.068","0.006","7.766","0.006","90","","98.68","0.05","90","","818.6","1","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Thorium(IV) Iodide","","- I4 Th -","- I4 Th -","- I16 Th4 -","4","1","","Zalkin, Allan; Forrester, J. D.; Templeton, David H.","The Crystal Structure of Thorium Tetraiodide","Inorganic Chemistry","1964","3","5","639","644","10.1021/ic50015a007","","","","","","","","","","","","","","","","","","","","","has coordinates","189443","2020-10-21","18:00:00",""
"4345981","15.9651","0.0003","41.731","0.0008","21.9084","0.0004","90","","92.985","0.001","90","","14576.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H72 B12 F36 O12 -","- C96 H72 B12 F36 O12 -","- C576 H432 B72 F216 O72 -","6","1.5","","Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny","Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions","Inorganic Chemistry Frontiers","2016","3","","711","717","10.1039/C5QI00263J","","","1.54178","CuKα","","0.1108","0.0855","","","0.1973","0.2129","","","","","","1.149","","","","has coordinates,has disorder","205224","2020-10-21","18:00:00",""
"4345982","13.9085","0.0003","38.6574","0.0007","25.437","0.0004","90","","97.1607","0.001","90","","13569.9","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C124 H96 B12 F72 N O12 -","- C124 H96 B12 F72 N O12 -","- C496 H384 B48 F288 N4 O48 -","4","2","","Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny","Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions","Inorganic Chemistry Frontiers","2016","3","","711","717","10.1039/C5QI00263J","","","1.54178","CuKα","","0.0985","0.089","","","0.2408","0.2551","","","","","","1.019","","","","has coordinates,has disorder","205225","2020-10-21","18:00:00",""
"4348982","10.4075","0.0008","11.0056","0.0011","18.3138","0.0011","76.021","0.007","80.764","0.006","73.239","0.007","1939.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B2 Cu2 N12 -","- C42 H32 B2 Cu2 N12 -","- C84 H64 B4 Cu4 N24 -","2","1","","Zhang, De-Xiang; Zhang, Hai-Xia; Wen, Tian; Li, Dong-Sheng; Zhang, Jian","Mechanochromic Cu(i) boron imidazolate frameworks with low-dimensional structures and reducing function","Inorganic Chemistry Frontiers","2016","3","2","263","","10.1039/C5QI00155B","","","0.71073","MoKα","","0.1738","0.0618","","","0.0865","0.1223","","","","","","0.856","","","","has coordinates","233525","2020-10-21","18:00:00",""
"4348984","24.4314","0.0006","24.4314","0.0006","27.94","0.0009","90","","90","","120","","14442.9","0.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H29.25 Co3 N4 O17 -","- C16 H29.246 Co3 N4 O17 -","- C288 H526.428 Co54 N72 O306 -","18","0.5","","Yao, Ru-Xin; Qiao, Xiao-Hui; Cui, Xin; Jia, Xiao-Xia; Zhang, Xian-Ming","Hexagonal Co6 and zigzag Co4 cluster based magnetic MOFs with a pcu net for selective catalysis","Inorganic Chemistry Frontiers","2016","3","1","78","","10.1039/C5QI00159E","","","0.71073","MoKα","","0.0398","0.0319","","","0.0912","0.0948","","","","","","1.046","","","","has coordinates,has disorder","233527","2020-10-21","18:00:00",""
"4348985","15.9765","0.0017","15.088","0.0015","15.9616","0.0016","90","","90","","90","","3847.6","0.7","298","2","298.15","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16 H14 Co2 N4 O8 -","- C16 H14 Co2 N4 O8 -","- C128 H112 Co16 N32 O64 -","8","1","","Yao, Ru-Xin; Qiao, Xiao-Hui; Cui, Xin; Jia, Xiao-Xia; Zhang, Xian-Ming","Hexagonal Co6 and zigzag Co4 cluster based magnetic MOFs with a pcu net for selective catalysis","Inorganic Chemistry Frontiers","2016","3","1","78","","10.1039/C5QI00159E","","","0.71073","MoKα","","0.0715","0.0568","","","0.1641","0.1769","","","","","","1.048","","","","has coordinates,has disorder","233527","2020-10-21","18:00:00",""
"4348987","12.995","0.004","8.874","0.003","11.389","0.003","90","","91.646","0.007","90","","1312.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 B2 F8 N6 -","- C24 H30 B2 F8 N6 -","- C48 H60 B4 F16 N12 -","2","0.5","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis","Inorganic Chemistry Frontiers","2016","3","1","67","","10.1039/C5QI00163C","","","0.71073","MoKα","","0.0855","0.0556","","","0.1608","0.1892","","","","","","1.071","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4348988","13.5432","0.0014","13.5432","0.0014","41.646","0.009","90","","90","","90","","7639","2","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C123 H166 B4 Cl6 Cu4 F16 N24 -","- C123 H166 B4 Cl6 Cu4 F16 N24 -","- C246 H332 B8 Cl12 Cu8 F32 N48 -","2","0.25","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis","Inorganic Chemistry Frontiers","2016","3","1","67","","10.1039/C5QI00163C","","","0.71073","MoKα","","0.1015","0.09","","","0.2381","0.2475","","","","","","1.082","","","","has coordinates,has disorder","233529","2020-10-21","18:00:00",""
"4348989","21.22","0.004","13.993","0.003","17.774","0.003","90","","111.151","0.004","90","","4922.1","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 B2 Cl4 Cu2 F8 N12 -","- C42 H44 B2 Cl4 Cu2 F8 N12 -","- C168 H176 B8 Cl16 Cu8 F32 N48 -","4","0.5","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis","Inorganic Chemistry Frontiers","2016","3","1","67","","10.1039/C5QI00163C","","","0.71073","MoKα","","0.035","0.0264","","","0.0623","0.0673","","","","","","1.034","","","","has coordinates","233529","2020-10-21","18:00:00",""
"4348995","11.0741","0.0014","21.917","0.003","23.797","0.003","111.629","0.003","90.278","0.003","94.509","0.004","5348.9","1.2","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C123 H100 Cl2 F12 Ir2 N4 O3 P6 -","- C123 H98 Cl2 F12 Ir2 N4 O3 P6 -","- C246 H196 Cl4 F24 Ir4 N8 O6 P12 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0811","0.0591","","","0.1593","0.1691","","","","","","1.055","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4348996","11.74","0.003","14.327","0.004","30.631","0.009","90","","92.884","0.007","90","","5146","2","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H46 Cl2 F6 Ir N2 O P3 -","- C59 H46 Cl2 F6 Ir N2 O P3 -","- C236 H184 Cl8 F24 Ir4 N8 O4 P12 -","4","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.209","0.0865","","","0.1312","0.1682","","","","","","1.005","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4348997","26.593","0.003","9.8215","0.0008","51.956","0.005","90","","104.377","0.005","90","","13145","2","173","","173","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H118 Cl4 F18 Ir3 N6 P9 -","- C146 H118 Cl4 F18 Ir3 N6 P9 -","- C584 H472 Cl16 F72 Ir12 N24 P36 -","4","0.5","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0417","0.0345","","","0.0854","0.0891","","","","","","1.028","","","","has coordinates,has disorder","233536","2020-10-21","18:00:00",""
"4348998","16.774","0.003","17.277","0.003","17.99","0.003","96.957","0.005","96.536","0.005","90.204","0.005","5140.8","1.5","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C58.5 H45 Cl F6 Ir N3 O1.5 P3 -","- C58.5 H44 Cl F6 Ir N3 O1.5 P3 -","- C234 H176 Cl4 F24 Ir4 N12 O6 P12 -","4","2","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.1258","0.0875","","","0.2143","0.2379","","","","","","1.043","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4348999","12.853","0.003","14.837","0.003","20.906","0.005","73.489","0.006","89.1446","0.001","86.741","0.012","3816.2","1.5","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C83.5 H79 Cl F6 Ir N2 O2 P3 -","- C83.5 H79 Cl F6 Ir N2 O2 P3 -","- C167 H158 Cl2 F12 Ir2 N4 O4 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","1.54187","CuKα","","0.0936","0.0774","","","0.1971","0.2034","","","","","","0.988","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349000","10.6547","0.0009","11.1385","0.0009","20.9281","0.0014","75.728","0.004","87.937","0.005","89.845","0.004","2405.4","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 F10 Ir N2 O P3 -","- C52 H44 F10 Ir N2 O P3 -","- C104 H88 F20 Ir2 N4 O2 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0175","0.0162","","","0.0428","0.0431","","","","","","1.069","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349001","11.785","0.002","16.055","0.003","20.759","0.004","104.611","0.004","95.053","0.003","104.351","0.004","3634.3","1.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H64 F10 Ir N2 O P3 -","- C79 H64 F10 Ir N2 O P3 -","- C158 H128 F20 Ir2 N4 O2 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.1392","0.0769","","","0.1546","0.1815","","","","","","1.057","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349002","12.685","0.003","15.072","0.004","19.068","0.005","84.215","0.007","85.755","0.008","89.94","0.006","3617","1.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H80 F10 Ir N2 O3 P3 -","- C84 H80 F10 Ir N2 O3 P3 -","- C168 H160 F20 Ir2 N4 O6 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.1271","0.0742","","","0.1114","0.1327","","","","","","1.086","","","","has coordinates","233536","2020-10-21","18:00:00",""
"4349003","12.8447","0.0004","13.3798","0.0007","19.7895","0.0011","80.832","0.006","78.851","0.006","66.667","0.005","3051","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H56 Cl2 F10 Ir N2 P3 -","- C67 H56 Cl2 F10 Ir N2 P3 -","- C134 H112 Cl4 F20 Ir2 N4 P6 -","2","1","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0308","0.0256","","","0.0667","0.0688","","","","","","1.036","","","","has coordinates,has disorder","233536","2020-10-21","18:00:00",""
"4349005","16.759","0.003","16.602","0.003","19.907","0.004","90","","99.08","0.03","90","","5469.4","1.8","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Br2 F12 N4 O10 Y2 -","- C52 H30 Br2 F12 N4 O10 Y2 -","- C208 H120 Br8 F48 N16 O40 Y8 -","4","0.5","","Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Shen, Hai-Yun; Zou, Ji-Yong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Modulating single-molecule magnet behaviour of phenoxo-O bridged lanthanide(iii) dinuclear complexes by using different β-diketonate coligands","Inorganic Chemistry Frontiers","2016","3","1","133","","10.1039/C5QI00192G","","","0.71073","MoKα","","0.0907","0.0599","","","0.1435","0.161","","","","","","1.021","","","","has coordinates,has disorder","233538","2020-10-21","18:00:00",""
"4349006","10.769","0.002","13.002","0.003","13.289","0.003","69.97","0.03","72.58","0.03","80.13","0.03","1663.1","0.7","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H36 Br2 Dy2 F12 N4 O10 S4 -","- C64 H24 Br2 Dy2 F12 N4 O10 S4 -","- C64 H24 Br2 Dy2 F12 N4 O10 S4 -","1","0.5","","Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Shen, Hai-Yun; Zou, Ji-Yong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Modulating single-molecule magnet behaviour of phenoxo-O bridged lanthanide(iii) dinuclear complexes by using different β-diketonate coligands","Inorganic Chemistry Frontiers","2016","3","1","133","","10.1039/C5QI00192G","","","0.71073","MoKα","","0.0735","0.0553","","","0.1058","0.1142","","","","","","0.985","","","","has coordinates,has disorder","233538","2020-10-21","18:00:00",""
"4349007","16.748","0.003","16.799","0.003","17.363","0.004","82.67","0.03","70.83","0.03","62.46","0.03","4090","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H35.5 Br Dy N3 O5.25 -","- C48 H33 Br Dy N3 O5.25 -","- C192 H132 Br4 Dy4 N12 O21 -","4","2","","Wang, Wen-Min; Wang, Shi-Yu; Zhang, Hong-Xia; Shen, Hai-Yun; Zou, Ji-Yong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Modulating single-molecule magnet behaviour of phenoxo-O bridged lanthanide(iii) dinuclear complexes by using different β-diketonate coligands","Inorganic Chemistry Frontiers","2016","3","1","133","","10.1039/C5QI00192G","","","0.71073","MoKα","","0.0553","0.0409","","","0.0954","0.1024","","","","","","1.071","","","","has coordinates,has disorder","233538","2020-10-21","18:00:00",""
"4349009","10.0371","0.0004","26.6752","0.0013","5.9349","0.0003","90","","90","","90","","1589.02","0.13","293","2","293","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C2 H7 N O0 S8 Sb4 -","- C2 H7 N S8 Sb4 -","- C8 H28 N4 S32 Sb16 -","4","0.5","","Nie, Lina; Zhang, Yu; Xiong, Wei-Wei; Lim, Teik-Thye; Xu, Rong; Yan, Qingyu; Zhang, Qichun","A surfactant-thermal method to prepare crystalline thioantimonate for high-performance lithium-ion batteries","Inorganic Chemistry Frontiers","2016","3","1","111","","10.1039/C5QI00194C","","","0.71073","MoKα","","0.0519","0.0505","","","0.1554","0.157","","","","","","1.096","","","","has coordinates","233540","2020-10-21","18:00:00",""
"4349012","10.46","0.002","12.325","0.002","18.253","0.004","90","","94.73","0.03","90","","2345.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 Mn2 N6 O9 -","- C50 H53 Mn2 N6 O9 -","- C100 H106 Mn4 N12 O18 -","2","0.5","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0804","0.0638","","","0.1674","0.1797","","","","","","1.038","","","","has coordinates","233543","2020-10-21","18:00:00",""
"4349013","20.534","0.004","13.565","0.003","15.695","0.003","90","","125.65","0.03","90","","3552.4","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N3 Ni0.5 O1.5 -","- C22 H21 N3 Ni0.5 O1.5 -","- C176 H168 N24 Ni4 O12 -","8","1","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine–quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0383","0.034","","","0.086","0.0883","","","","","","1.082","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349014","8.927","0.0018","23.859","0.005","29.072","0.006","90","","98.29","0.03","90","","6127","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H73 Cu3 N9 O10 -","- C73 H73 Cu3 N9 O10 -","- C292 H292 Cu12 N36 O40 -","4","1","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0894","0.0816","","","0.2296","0.235","","","","","","1.079","","","","has coordinates,has disorder","233543","2020-10-21","18:00:00",""
"4349015","12.804","0.003","17.462","0.003","19.515","0.004","87.2","0.03","88.48","0.03","89.9","0.03","4356.5","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H50 N6 O7 Zn2 -","- C49 H50 N6 O7 Zn2 -","- C196 H200 N24 O28 Zn8 -","4","2","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine–quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0691","0.062","","","0.1658","0.1704","","","","","","1.085","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349016","21.9","0.004","18.01","0.004","23.63","0.005","90","","101.89","0.03","90","","9120","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Co N7 O6 -","- C45 H44 Co N7 O6 -","- C360 H352 Co8 N56 O48 -","8","2","","Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng","3d transition metal complexes with a julolidine–quinoline based ligand: structures, spectroscopy and optical properties","Inorganic Chemistry Frontiers","2016","3","2","286","","10.1039/C5QI00200A","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0877","0.0808","","","0.2523","0.2594","","","","","","1.104","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349018","20.1159","0.0006","15.8862","0.0005","20.4047","0.0006","90","","90","","90","","6520.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dr Cho K1","","","- C35 H48 B2 N4 Ni -","- C35 H48 B2 N4 Ni -","- C280 H384 B16 N32 Ni8 -","8","1","","Tak, Hyeonwoo; Lee, Hyunjoo; Kang, Joongoo; Cho, Jaeheung","A high-spin nickel(ii) borohydride complex in dehalogenation","Inorganic Chemistry Frontiers","2016","3","1","157","","10.1039/C5QI00206K","","","0.71073","","","0.0573","0.0524","","","0.1251","0.1291","","","","","","1.07","","","","has coordinates","233545","2020-10-21","18:00:00",""
"4349019","18.09","0.0002","11.6556","0.0001","25.8637","0.0003","90","","90.175","0.001","90","","5453.33","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(TACN)(MeCN)2(BPh4)2 100K","","","- C63 H70 B2 N6 Ni -","- C63 H70 B2 N6 Ni -","- C252 H280 B8 N24 Ni4 -","4","1","","Tak, Hyeonwoo; Lee, Hyunjoo; Kang, Joongoo; Cho, Jaeheung","A high-spin nickel(ii) borohydride complex in dehalogenation","Inorganic Chemistry Frontiers","2016","3","1","157","","10.1039/C5QI00206K","","","0.71073","","","0.0361","0.0303","","","0.0775","0.0807","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349021","6.2789","0.0003","9.0295","0.0006","14.8336","0.0009","90","","92.585","0.002","90","","840.14","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Gd O8 -","- C4 H9 Gd O8 -","- C16 H36 Gd4 O32 -","4","1","","Qiu, Jiang-Zhen; Chen, Yan-Cong; Wang, Long-Fei; Li, Quan-wen; Orendáč, Martin; Tong, Ming-Liang","The effect of magnetic coupling on magneto-caloric behaviour in two 3D Gd(iii)‒glycolate coordination polymers","Inorganic Chemistry Frontiers","2016","3","1","150","","10.1039/C5QI00208G","","","0.71073","MoKα","","0.0311","0.0292","","","0.0719","0.0729","","","","","","1.035","","","","has coordinates","233547","2020-10-21","18:00:00",""
"4349022","8.1242","0.0011","8.0394","0.0013","8.4324","0.0012","90","","117.49","0.004","90","","488.57","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 Gd O9 -","- C6 H9 Gd O9 -","- C12 H18 Gd2 O18 -","2","1","","Qiu, Jiang-Zhen; Chen, Yan-Cong; Wang, Long-Fei; Li, Quan-wen; Orendáč, Martin; Tong, Ming-Liang","The effect of magnetic coupling on magneto-caloric behaviour in two 3D Gd(iii)‒glycolate coordination polymers","Inorganic Chemistry Frontiers","2016","3","1","150","","10.1039/C5QI00208G","","","0.71073","MoKα","","0.046","0.0423","","","0.0914","0.1001","","","","","","1.099","","","","has coordinates","233547","2020-10-21","18:00:00",""
"4349024","12.971","0.0006","13.7364","0.0006","26.013","0.0011","79.687","0.001","81.655","0.001","67.106","0.001","4186.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1-Co","","- C164 H188 Co8 N8 O50 S8 -","- C164 H184 Co8 N8 O50 S8 -","- C164 H184 Co8 N8 O50 S8 -","1","0.5","","Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang","Designing structurally tunable and functionally versatile synthetic supercontainers","Inorganic Chemistry Frontiers","2016","3","2","243","","10.1039/C5QI00212E","","","0.71073","MoKα","","0.0927","0.0803","","","0.2101","0.2233","","","","","","1.056","","","","has coordinates,has disorder","233549","2020-10-21","18:00:00",""
"4349025","17.1548","0.0012","17.1548","0.0012","37.599","0.003","90","","90","","90","","11064.9","1.4","100","2","100","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","2-Co","","- C140 H136 Co8 N4 O42 S8 -","- C140 H120 Co8 N4 O42 S8 -","- C280 H240 Co16 N8 O84 S16 -","2","0.125","","Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang","Designing structurally tunable and functionally versatile synthetic supercontainers","Inorganic Chemistry Frontiers","2016","3","2","243","","10.1039/C5QI00212E","","","0.71073","MoKα","","0.1136","0.0828","","","0.2373","0.2622","","","","","","1.088","","","","has coordinates","233549","2020-10-21","18:00:00",""
"4349026","12.968","0.002","13.91","0.003","27.919","0.005","79.284","0.002","83.244","0.002","67.342","0.002","4560.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-Ni","","- C144 H144 N4 Ni8 O42 S8 -","- C144 H140 N4 Ni8 O42 S8 -","- C144 H140 N4 Ni8 O42 S8 -","1","0.5","","Dai, Feng-Rong; Qiao, Yupu; Wang, Zhenqiang","Designing structurally tunable and functionally versatile synthetic supercontainers","Inorganic Chemistry Frontiers","2016","3","2","243","","10.1039/C5QI00212E","","","0.71073","MoKα","","0.0631","0.0487","","","0.1341","0.141","","","","","","1.078","","","","has coordinates","233549","2020-10-21","18:00:00",""
"4349030","9.8551","0.0005","10.0192","0.0006","14.2431","0.0007","87.11","0.002","78.367","0.002","65.0268","0.0019","1247.74","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","ArICOOMe-BIAN","","","- C28 H18 I2 N2 O4 -","- C28 H18 I2 N2 O4 -","- C56 H36 I4 N4 O8 -","2","1","","Kee, J. W.; Ng, Y. Y.; Kulkarni, S. A.; Muduli, S. K.; Xu, K.; Ganguly, R.; Lu, Y.; Hirao, H.; Soo, H. S.","Development of bis(arylimino)acenaphthene (BIAN) copper complexes as visible light harvesters for potential photovoltaic applications","Inorganic Chemistry Frontiers","2016","3","5","651","","10.1039/C5QI00221D","","","0.71073","MoKα","","0.0502","0.0333","","","0.0664","0.0744","","","","","","1.011","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349031","11.844","0.004","13.707","0.005","20.634","0.008","94.692","0.007","97.346","0.007","113.076","0.005","3024.4","1.9","103","2","103","2","","","","","","","","9","P -1","-P 1","2","[ArICOOMe-BIAN]2Cu(PF6)","","","- C58 H40 Cl4 Cu F6 I4 N4 O8 P -","- C58 H40 Cl4 Cu F6 I4 N4 O8 P -","- C116 H80 Cl8 Cu2 F12 I8 N8 O16 P2 -","2","1","","Kee, J. W.; Ng, Y. Y.; Kulkarni, S. A.; Muduli, S. K.; Xu, K.; Ganguly, R.; Lu, Y.; Hirao, H.; Soo, H. S.","Development of bis(arylimino)acenaphthene (BIAN) copper complexes as visible light harvesters for potential photovoltaic applications","Inorganic Chemistry Frontiers","2016","3","5","651","","10.1039/C5QI00221D","","","0.71073","MoKα","","0.1677","0.0865","","","0.1658","0.2071","","","","","","1.076","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349032","15.3314","0.0009","15.4957","0.0009","18.5347","0.001","98.846","0.004","110.128","0.003","98.427","0.004","3989.7","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","[ArICOOMe-BIAN]2Cu(PF)6","","","- C82 H75 Cu F6 I4 N4 O11 P -","- C82 H75 Cu F6 I4 N4 O11 P -","- C164 H150 Cu2 F12 I8 N8 O22 P2 -","2","1","","Kee, J. W.; Ng, Y. Y.; Kulkarni, S. A.; Muduli, S. K.; Xu, K.; Ganguly, R.; Lu, Y.; Hirao, H.; Soo, H. S.","Development of bis(arylimino)acenaphthene (BIAN) copper complexes as visible light harvesters for potential photovoltaic applications","Inorganic Chemistry Frontiers","2016","3","5","651","","10.1039/C5QI00221D","","","0.71073","MoKα","","0.1914","0.084","","","0.2135","0.2916","","","","","","1.115","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349035","11.1292","0.0008","11.2334","0.0008","20.703","0.0016","97.367","0.004","101.318","0.004","92.721","0.004","2509.9","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H63 Dy O15 W3 -","- C48 H63 Dy O15 W3 -","- C96 H126 Dy2 O30 W6 -","2","1","","Dickie, Courtney M.; Nippe, Michael","Magnetization dynamics of a heterometallic Dy-isocarbonyl complex","Inorganic Chemistry Frontiers","2016","3","1","97","","10.1039/C5QI00224A","","","0.71073","MoKα","","0.0702","0.0431","","","0.089","0.1027","","","","","","1.035","","","","has coordinates,has disorder","233553","2020-10-21","18:00:00",""
"4349037","12.8662","0.0004","12.9465","0.0004","15.7376","0.0005","107.789","0.001","98.435","0.001","110.087","0.001","2249.57","0.13","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cu F6 N4 O4 P -","- C52 H40 Cu F6 N4 O4 P -","- C104 H80 Cu2 F12 N8 O8 P2 -","2","1","","Tong, King-Lung; Yee, Chi-Chung; Tse, Yuen Cheong; Au-Yeung, Ho Yu","Discoveries from a phenanthroline-based dynamic combinatorial library: catenane from a copper(i) or copper(ii) template?","Inorganic Chemistry Frontiers","2016","3","3","348","","10.1039/C5QI00227C","","","0.71073","MoKα","","0.0668","0.0477","","","0.1224","0.1328","","","","","","1.035","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349038","8.4793","0.0003","8.9464","0.0003","11.1491","0.0004","89.797","0.001","85.558","0.001","74.37","0.001","811.91","0.05","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl2 Cu N2 O2 -","- C16 H16 Cl2 Cu N2 O2 -","- C32 H32 Cl4 Cu2 N4 O4 -","2","1","","Tong, King-Lung; Yee, Chi-Chung; Tse, Yuen Cheong; Au-Yeung, Ho Yu","Discoveries from a phenanthroline-based dynamic combinatorial library: catenane from a copper(i) or copper(ii) template?","Inorganic Chemistry Frontiers","2016","3","3","348","","10.1039/C5QI00227C","","","0.71073","MoKα","","0.0306","0.028","","","0.0791","0.0808","","","","","","1.081","","","","has coordinates","233555","2020-10-21","18:00:00",""
"4349049","15.199","0.003","15.322","0.003","16.472","0.004","116.33","0.003","93.43","0.003","102.116","0.003","3309.9","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H138 Ba2 Co4 N18 O24 S12 -","- C112 H138 Ba2 Co4 N18 O24 S12 -","- C112 H138 Ba2 Co4 N18 O24 S12 -","1","0.5","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.068","0.0502","","","0.1293","0.1429","","","","","","1.071","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349050","16.5036","0.0015","25.928","0.002","22.811","0.002","90","","106.65","0.002","90","","9351.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H154 Co2 N10 O14 S6 -","- C68 H154 Co2 N10 O14 S6 -","- C272 H616 Co8 N40 O56 S24 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.1153","0.06","","","0.1363","0.1615","","","","","","1.025","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349051","19.505","0.002","11.3473","0.0014","19.833","0.002","90","","99.185","0.002","90","","4333.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H75 Co N5 O6 S3 -","- C34 H75 Co N5 O6 S3 -","- C136 H300 Co4 N20 O24 S12 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.1176","0.0835","","","0.1963","0.2199","","","","","","1.077","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349052","12.6571","0.0008","12.6571","0.0008","30.388","0.002","90","","90","","120","","4216","0.5","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Ba Co2 N8 O12 S6 -","- C36 H78 Ba Co2 N8 O12 S6 -","- C108 H234 Ba3 Co6 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0645","0.0627","","","0.1493","0.15","","","","","","1.357","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349053","12.601","0.003","12.601","0.003","29.273","0.008","90","","90","","120","","4025.4","1.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Ca Co2 N8 O12 S6 -","- C36 H78 Ca Co2 N8 O12 S6 -","- C108 H234 Ca3 Co6 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.058","0.0409","","","0.0988","0.1085","","","","","","1.032","","","","has coordinates,has disorder","233558","2020-10-21","18:00:00",""
"4349054","13.9236","0.0011","13.3642","0.001","17.295","0.0013","90","","112.355","0.001","90","","2976.4","0.4","109.01","","109.01","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H66 Ca Co2 N8 O12 S6 -","- C54 H66 Ca Co2 N8 O12 S6 -","- C108 H132 Ca2 Co4 N16 O24 S12 -","2","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0556","0.047","","","0.1076","0.1128","","","","","","1.009","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349055","12.684","0.002","12.684","0.002","27.867","0.006","90","","90","","120","","3882.7","1.2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Co2 Mg N8 O12 S6 -","- C36 H78 Co2 Mg N8 O12 S6 -","- C108 H234 Co6 Mg3 N24 O36 S18 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0418","0.0325","","","0.0797","0.0856","","","","","","1.059","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349056","12.638","0.004","12.638","0.004","29.797","0.008","90","","90","","120","","4122","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H78 Co2 N8 O12 S6 Sr -","- C36 H78 Co2 N8 O12 S6 Sr -","- C108 H234 Co6 N24 O36 S18 Sr3 -","3","0.166667","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0413","0.0363","","","0.0904","0.0937","","","","","","1.066","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349057","14.2734","0.0009","14.8425","0.0009","21.9158","0.0014","90","","102.461","0.001","90","","4533.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H69 Co N5 O6 S3 -","- C43 H69 Co N5 O6 S3 -","- C172 H276 Co4 N20 O24 S12 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.0919","0.0711","","","0.1711","0.189","","","","","","1.023","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349058","29.583","0.007","16.185","0.004","25.822","0.006","90","","95.585","0.004","90","","12305","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H138 Co4 N16 O27 S12 Sr2 -","- C108 H136 Co4 N16 O27 S12 Sr2 -","- C432 H544 Co16 N64 O108 S48 Sr8 -","4","1","","Wallen, Christian M.; Wielizcko, Marika; Bacsa, John; Scarborough, Christopher C.","Heterotrimetallic sandwich complexes supported by sulfonamido ligands","Inorganic Chemistry Frontiers","2016","3","1","142","","10.1039/C5QI00233H","","","0.71073","MoKα","","0.1207","0.063","","","0.135","0.1594","","","","","","1.033","","","","has coordinates","233558","2020-10-21","18:00:00",""
"4349061","26.809","0.005","15.1557","0.0016","16.959","0.003","90","","120.93","0.02","90","","5911","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H49 Fe I N2 -","- C28 H49 Fe I N2 -","- C224 H392 Fe8 I8 N16 -","8","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","1.54184","CuKα","","0.0736","0.0544","","","0.1212","0.1304","","","","","","1.033","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349062","9.35317","0.00012","18.27596","0.00018","17.01417","0.00016","90","","95.7372","0.0008","90","","2893.8","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Fe I N2 -","- C28 H49 Fe I N2 -","- C112 H196 Fe4 I4 N8 -","4","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","0.71073","MoKα","","0.0251","0.0199","","","0.0414","0.0431","","","","","","1.055","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349063","9.7691","0.0004","38.5982","0.0014","9.6194","0.0004","90","","99.676","0.004","90","","3575.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Fe I N2 -","- C38 H53 Fe I N2 -","- C152 H212 Fe4 I4 N8 -","4","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","0.71073","MoKα","","0.0684","0.0582","","","0.0957","0.0982","","","","","","1.328","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349064","18.479","0.0004","16.7584","0.0002","26.7961","0.0004","90","","90","","90","","8298.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H65 Fe I N2 -","- C44 H65 Fe I N2 -","- C352 H520 Fe8 I8 N16 -","8","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","1.54184","CuKα","","0.0327","0.0267","","","0.0622","0.065","","","","","","1.032","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349067","9.1609","0.0018","12.811","0.003","14.754","0.003","87.65","0.03","85.1","0.03","89.56","0.03","1723.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H60 N8 Ni2 O16 -","- C74 H58 N8 Ni2 O16 -","- C74 H58 N8 Ni2 O16 -","1","0.5","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.0509","0.0413","","","0.1132","0.1178","","","","","","1.084","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349068","45.925","0.002","6.5022","0.0003","21.3486","0.0015","90","","105.364","0.006","90","","6147.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H50 N4 O16 Zn3 -","- C70 H50 N4 O16 Zn3 -","- C280 H200 N16 O64 Zn12 -","4","0.5","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.0693","0.0493","","","0.1544","0.1689","","","","","","1.052","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349069","15.338","0.003","22.1","0.004","16.425","0.003","90","","102.64","0.03","90","","5432.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H58 Mn2 N2 O16 -","- C59 H56 Mn2 N2 O16 -","- C236 H224 Mn8 N8 O64 -","4","0.5","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.0846","0.056","","","0.1474","0.1674","","","","","","1.05","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349070","31.512","0.003","7.0593","0.0004","27.1251","0.0019","90","","106.23","0.004","90","","5793.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Cd2 N O9 -","- C29 H20 Cd2 N O9 -","- C232 H160 Cd16 N8 O72 -","8","1","","Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties","Inorganic Chemistry Frontiers","2016","3","3","406","","10.1039/C5QI00241A","","","0.71073","MoKα","","0.045","0.0407","","","0.1303","0.1331","","","","","","1.179","","","","has coordinates","233564","2020-10-21","18:00:00",""
"4349073","19.0866","0.0005","20.1645","0.0004","32.8057","0.0007","77.642","0.002","74.776","0.002","69.343","0.002","11296.2","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H310 Cl13 Gd27 O247 -","- C68 H132 Cl8 Gd27 O167 -","- C136 H264 Cl16 Gd54 O334 -","2","1","","Zheng, Xiu-Ying; Peng, Jun-Bo; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Mixed-anion templated cage-like lanthanide clusters: Gd27 and Dy27","Inorganic Chemistry Frontiers","2016","3","2","320","","10.1039/C5QI00249D","","","0.71073","MoKα","","0.1049","0.0647","","","0.1423","0.1585","","","","","","1.016","","","","has coordinates","233566","2020-10-21","18:00:00",""
"4349074","19.0141","0.0005","20.0313","0.0005","32.3892","0.0009","77.671","0.002","74.878","0.002","69.207","0.002","11033.1","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H310 Cl13 Dy27 O247 -","- C67 H127 Cl7 Dy27 O161 -","- C134 H254 Cl14 Dy54 O322 -","2","1","","Zheng, Xiu-Ying; Peng, Jun-Bo; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Mixed-anion templated cage-like lanthanide clusters: Gd27 and Dy27","Inorganic Chemistry Frontiers","2016","3","2","320","","10.1039/C5QI00249D","","","0.71073","MoKα","","0.1333","0.0732","","","0.1658","0.1943","","","","","","0.954","","","","has coordinates","233566","2020-10-21","18:00:00",""
"4349076","7.7512","0.0012","8.0176","0.0013","18.399","0.003","90","","96.125","0.002","90","","1136.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 Gd N3 O6 -","- C11 H6 Gd N3 O6 -","- C44 H24 Gd4 N12 O24 -","4","1","","Zhao, Shu-Na; Wu, Lan-Lan; Feng, Jing; Song, Shu-Yan; Zhang, Hong-Jie","An ideal detector composed of a 3D Gd-based coordination polymer for DNA and Hg2+ ion","Inorganic Chemistry Frontiers","2016","3","3","376","","10.1039/C5QI00252D","","","0.71073","MoKα","","0.0356","0.0258","","","0.0489","0.0526","","","","","","1.035","","","","has coordinates","233568","2020-10-21","18:00:00",""
"4349078","13.1762","0.0005","13.3606","0.0005","28.333","0.0011","90","","90","","90","","4987.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","JA-MA-60","","","- C40 H80 F6 Ir2 N4 P5 -","- C40 H80 F6 Ir2 N4 P5 -","- C160 H320 F24 Ir8 N16 P20 -","4","1","","Abbenseth, Josh; Finger, Markus; Würtele, Christian; Kasanmascheff, Müge; Schneider, Sven","Coupling of terminal iridium nitrido complexes","Inorganic Chemistry Frontiers","2016","3","4","469","","10.1039/C5QI00267B","","","0.71073","MoKα","","0.0407","0.0291","","","0.0431","0.0454","","","","","","1.053","","","","has coordinates","233570","2020-10-21","18:00:00",""
"4349079","15.7367","0.0008","15.1562","0.0007","15.297","0.0008","90","","113.649","0.002","90","","3342.1","0.3","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","JA-MA-130","","","- C52 H104 F12 Ir2 N4 O3 P4 Sb2 -","- C52 H104 F12 Ir2 N4 O3 P4 Sb2 -","- C104 H208 F24 Ir4 N8 O6 P8 Sb4 -","2","0.5","","Abbenseth, Josh; Finger, Markus; Würtele, Christian; Kasanmascheff, Müge; Schneider, Sven","Coupling of terminal iridium nitrido complexes","Inorganic Chemistry Frontiers","2016","3","4","469","","10.1039/C5QI00267B","","","0.71073","MoKα","","0.0369","0.0266","","","0.0544","0.06","","","","","","1.229","","","","has coordinates,has disorder","233570","2020-10-21","18:00:00",""
"4349085","38.5873","0.0013","38.5873","0.0013","38.5873","0.0013","90","","90","","90","","57456","3","100.01","","100.01","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Co","","- C24 H12 Co0.5 N2 O10.67 Zr2 -","- C24 H12 Co0.5 N2 O10.6667 Zr2 -","- C576 H288 Co12 N48 O256 Zr48 -","24","0.25","","Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David","Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis","Inorganic Chemistry Frontiers","2016","3","4","536","","10.1039/C5QI00275C","","","1.54178","CuKα","","0.0974","0.0861","","","0.2598","0.2743","","","","","","1.117","","","","has coordinates","233572","2020-10-21","18:00:00",""
"4349086","38.6198","0.001","38.6198","0.001","38.6198","0.001","90","","90","","90","","57601","3","85","2","84.83","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224CoO2","","- C144 H72 Co3 N12 O70 Zr12 -","- C144 H72 Co3 N12 O70 Zr12 -","- C576 H288 Co12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David","Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis","Inorganic Chemistry Frontiers","2016","3","4","536","","10.1039/C5QI00275C","","","1.54178","CuKα","","0.1102","0.0988","","","0.2976","0.3131","","","","","","1.329","","","","has coordinates,has disorder","233572","2020-10-21","18:00:00",""
"4349088","10.365","0.001","10.365","0.001","32.289","0.005","90","","90","","120","","3004.2","0.6","240","2","240","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H42 B2 F8 Fe N24 -","- C48 H42 B2 F8 Fe N24 -","- C96 H84 B4 F16 Fe2 N48 -","2","0.333333","","Calvo Galve, Néstor; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo; Coronado, Eugenio","Isostructural compartmentalized spin-crossover coordination polymers for gas confinement","Inorganic Chemistry Frontiers","2016","3","6","808","","10.1039/C5QI00277J","","","0.71073","MoKα","","0.4058","0.2271","","","0.4663","0.5406","","","","","","1.232","","","","has coordinates,has disorder","233574","2020-10-21","18:00:00",""
"4349089","10.2235","0.0014","10.2235","0.0014","31.903","0.008","90","","90","","120","","2887.8","0.9","120","2","120","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H42 B2 F8 Fe N24 -","- C48 H42 B2 F8 Fe N24 -","- C96 H84 B4 F16 Fe2 N48 -","2","0.333333","","Calvo Galve, Néstor; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo; Coronado, Eugenio","Isostructural compartmentalized spin-crossover coordination polymers for gas confinement","Inorganic Chemistry Frontiers","2016","3","6","808","","10.1039/C5QI00277J","","","0.71073","MoKα","","0.3945","0.2132","","","0.4274","0.5247","","","","","","1.147","","","","has coordinates,has disorder","233574","2020-10-21","18:00:00",""
"4349092","17.742","0.008","18.183","0.008","20.695","0.009","90.191","0.008","95.03","0.009","113.761","0.008","6081","5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H119 N25 Ni8 O26 S4 -","- C108 H97 N17 Ni8 O26 S4 -","- C216 H194 N34 Ni16 O52 S8 -","2","1","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.1993","0.119","","","0.2939","0.357","","","","","","0.97","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349093","13.394","0.002","18.546","0.003","20.152","0.003","108.266","0.002","104.85","0.002","105.348","0.002","4257.9","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Cl2 N4 Ni O8 -","- C44 H44 Cl2 N4 Ni O8 -","- C176 H176 Cl8 N16 Ni4 O32 -","4","2","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.0829","0.0635","","","0.1698","0.1924","","","","","","0.745","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349094","13.6631","0.0008","55.396","0.003","17.4219","0.001","90","","101.75","0.002","90","","12910","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N6 Ni O14 -","- C44 H44 N6 Ni O14 -","- C528 H528 N72 Ni12 O168 -","12","3","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.1399","0.117","","","0.2855","0.302","","","","","","1.025","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349095","12.7711","0.0017","21.197","0.003","15.366","0.002","90","","97.636","0.002","90","","4122.8","1","153","2","153","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C80 H93 Cl N6 Ni6 O22 S3 -","- C80 H93 Cl N6 Ni6 O22 S3 -","- C160 H186 Cl2 N12 Ni12 O44 S6 -","2","0.5","","Schmitz, Sebastian; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul; Monakhov, Kirill Yu.","Thioether-terminated nickel(ii) coordination clusters with {Ni6} horseshoe- and {Ni8} rollercoaster-shaped cores","Inorganic Chemistry Frontiers","2016","3","4","523","","10.1039/C5QI00278H","","","0.71073","MoKα","","0.0578","0.0381","","","0.0844","0.0944","","","","","","1.012","","","","has coordinates","233576","2020-10-21","18:00:00",""
"4349100","11.8732","0.0014","12.7552","0.0015","16.3941","0.0018","76.579","0.005","83.331","0.005","82.122","0.005","2383","0.5","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H52 F12 Fe N8 O P2 -","- C43 H52 F12 Fe N8 O P2 -","- C86 H104 F24 Fe2 N16 O2 P4 -","2","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0372","0.034","","","0.0874","0.09","","","","","","1.042","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349101","17.6546","0.0017","14.2997","0.0014","18.8804","0.0019","90","","92.641","0.005","90","","4761.4","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 F12 Fe N6 O P2 -","- C43 H48 F12 Fe N6 O P2 -","- C172 H192 F48 Fe4 N24 O4 P8 -","4","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0446","0.0387","","","0.105","0.1105","","","","","","1.024","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349102","10.361","0.003","15.945","0.004","25.761","0.006","90","","93.772","0.014","90","","4246.7","1.9","100","","100","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl2 F6 N4 O7 S2 Zn -","- C38 H42 Cl2 F6 N4 O7 S2 Zn -","- C152 H168 Cl8 F24 N16 O28 S8 Zn4 -","4","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0444","0.0339","","","0.0736","0.0789","","","","","","1.019","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349103","18.0907","0.0015","14.366","0.0012","18.9329","0.0015","90","","91.824","0.004","90","","4918","0.7","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 F6 N5 O7 S2 Zn -","- C43 H45 F6 N5 O7 S2 Zn -","- C172 H180 F24 N20 O28 S8 Zn4 -","4","1","","Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.","Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties","Inorganic Chemistry Frontiers","2016","3","5","616","","10.1039/C5QI00298B","","x-ray","0.71073","MoKα","","0.0508","0.0409","","","0.0972","0.1059","","","","","","1.056","","","","has coordinates,has disorder","233579","2020-10-21","18:00:00",""
"4349106","13.063","0.001","14.8712","0.0011","18.7622","0.0014","90","","90","","90","","3644.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 B Dy N2 O12 -","- C36 H44 B Dy N2 O12 -","- C144 H176 B4 Dy4 N8 O48 -","4","1","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0365","0.0316","","","0.0695","0.0713","","","","","","1.024","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349107","24.3304","0.0018","10.8059","0.0008","8.3756","0.0006","90","","90","","90","","2202","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 Cl Dy N2 O16 -","- C12 H24 Cl Dy N2 O16 -","- C48 H96 Cl4 Dy4 N8 O64 -","4","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0356","0.0333","","","0.076","0.0771","","","","","","1.12","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349108","12.0689","0.0017","8.5236","0.0013","15.178","0.002","90","","91.235","0.007","90","","1561","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Dy N3 O13 -","- C8 H16 Dy N3 O13 -","- C32 H64 Dy4 N12 O52 -","4","1","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.1267","0.1256","","","0.3125","0.3131","","","","","","1.172","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349109","10.5373","0.0007","10.5373","0.0007","26.5599","0.0018","90","","90","","90","","2949.1","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C18 H35 Cl3 Dy N O20 -","- C18 H35 Cl3 Dy N O20 -","- C72 H140 Cl12 Dy4 N4 O80 -","4","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0827","0.0747","","","0.1877","0.1932","","","","","","1.125","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349110","8.6312","0.0008","19.9383","0.0018","11.2062","0.001","90","","111.576","0.001","90","","1793.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 Cl4 Dy2 O30 -","- C16 H42 Cl4 Dy2 O30 -","- C32 H84 Cl8 Dy4 O60 -","2","0.5","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.029","0.0268","","","0.0607","0.0616","","","","","","1.077","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349111","19.7259","0.0006","17.2456","0.0006","29.085","0.0009","90","","107.194","0.001","90","","9452.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 Cl3 Dy N O21 -","- C20 H39 Cl3 Dy N O21 -","- C240 H468 Cl36 Dy12 N12 O252 -","12","3","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0385","0.0303","","","0.069","0.0731","","","","","","1.021","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349451","24.031","0.003","24.031","0.003","45.282","0.009","90","","90","","90","","26150","7","100","2","100","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","{Na}{(PNP)Ni(CO)}","","","- C62 H96 N2 Na2 Ni2 O4 P4 -","- C62 H96 N2 Na2 Ni2 O4 P4 -","- C992 H1536 N32 Na32 Ni32 O64 P64 -","16","0.5","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.7","synchrotron","","0.0308","0.0306","","","0.0871","0.0874","","","","","","1.049","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4349452","21.043","0.002","21.043","0.002","15.647","0.0014","90","","90","","90","","6928.6","1.1","120","2","120","2","","","","","","","","7","I -4","I -4","82","{(PNCOONaP)Ni(CO)2}4","","","- C116 H160 N4 Na4 Ni4 O16 P8 -","- C116 H160 N4 Na4 Ni4 O16 P8 -","- C232 H320 N8 Na8 Ni8 O32 P16 -","2","0.25","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.0984","0.067","","","0.1477","0.1607","","","","","","1.043","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4349453","15.7516","0.0015","9.8103","0.0009","18.1748","0.0017","90","","95.239","0.003","90","","2796.8","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)Ni(CO)","","","- C27 H40 N Ni O P2 -","- C27 H40 N Ni O P2 -","- C108 H160 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.0826","0.0586","","","0.174","0.1892","","","","","","1.331","","","","has coordinates","234787","2020-10-21","18:00:00",""
"4349454","10.9465","0.0003","12.388","0.0003","14.3038","0.0004","101.893","0.001","96.763","0.001","96.926","0.001","1863.77","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","{(PNP)NiCOONa}2(THF)","","","- C70 H112 N2 Na2 Ni2 O8 P4 -","- C70 H112 N2 Na2 Ni2 O8 P4 -","- C70 H112 N2 Na2 Ni2 O8 P4 -","1","0.5","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.0528","0.0364","","","0.0906","0.1028","","","","","","1.037","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4349455","12.8027","0.0009","24.6644","0.0018","17.9274","0.0013","90","","105.769","0.002","90","","5447.9","0.7","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","{(PNP)Ni}2(CO3)","","","- C53 H80 N2 Ni2 O3 P4 -","- C53 H80 N2 Ni2 O3 P4 -","- C212 H320 N8 Ni8 O12 P16 -","4","1","","Yoo, Changho; Lee, Yunho","Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species","Inorganic Chemistry Frontiers","2016","3","6","849","","10.1039/C6QI00011H","","","0.71073","MoKα","","0.1087","0.0824","","","0.1897","0.2084","","","","","","1.179","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349456","27.841","0.006","7.5266","0.0015","17.413","0.003","90","","90","","90","","3648.9","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H15 N3 O9 Zn -","- C18 H11 N3 O9 Zn -","- C144 H88 N24 O72 Zn8 -","8","1","","Zhang, Chenghui; Sun, Libo; Zhang, Chuanqi; Wan, Song; Liang, Zhiqiang; Li, Jiyang","Novel photo- and/or thermochromic MOFs derived from bipyridinium carboxylate ligands","Inorganic Chemistry Frontiers","2016","3","6","814","","10.1039/C6QI00013D","","","0.71073","MoKα","","0.081","0.0577","","","0.147","0.1598","","","","","","1.058","","","","has coordinates","234790","2020-10-21","18:00:00",""
"4349457","9.6695","0.0019","10.135","0.003","10.898","0.002","86.47","0.03","89.99","0.03","62.48","0.02","944.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N3 O10 Zn -","- C18 H11 N3 O10 Zn -","- C36 H22 N6 O20 Zn2 -","2","1","","Zhang, Chenghui; Sun, Libo; Zhang, Chuanqi; Wan, Song; Liang, Zhiqiang; Li, Jiyang","Novel photo- and/or thermochromic MOFs derived from bipyridinium carboxylate ligands","Inorganic Chemistry Frontiers","2016","3","6","814","","10.1039/C6QI00013D","","","0.71073","MoKα","","0.0453","0.0375","","","0.1055","0.1144","","","","","","1.085","","","","has coordinates","234790","2020-10-21","18:00:00",""
"4349458","11.392","0.002","8.2764","0.0016","12.051","0.002","90","","100.915","0.003","90","","1115.7","0.3","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B Er -","- C13 H14 B Er -","- C52 H56 B4 Er4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0657","0.0528","","","0.1477","0.1596","","","","","","1.038","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349459","12.4425","0.0017","8.8385","0.0012","11.5467","0.0016","90","","98.198","0.002","90","","1256.8","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B Er -","- C14 H16 B Er -","- C56 H64 B4 Er4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0231","0.0195","","","0.0482","0.0497","","","","","","1.051","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349460","17.008","0.004","8.486","0.002","11.489","0.003","90","","101.257","0.004","90","","1626.3","0.7","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B Er N -","- C17 H23 B Er N -","- C68 H92 B4 Er4 N4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0494","0.0433","","","0.1419","0.149","","","","","","1.023","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349461","11.484","0.007","8.335","0.005","12.088","0.008","90","","100.697","0.011","90","","1136.9","1.2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 B Dy -","- C13 H14 B Dy -","- C52 H56 B4 Dy4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.1277","0.0724","","","0.1759","0.2269","","","","","","1.01","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349462","12.4412","0.0012","8.863","0.0008","11.6155","0.0011","90","","97.989","0.001","90","","1268.4","0.2","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B Dy -","- C14 H16 B Dy -","- C56 H64 B4 Dy4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0187","0.0157","","","0.0383","0.0393","","","","","","1.11","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349463","16.956","0.003","8.5607","0.0013","11.4844","0.0018","90","","101.187","0.003","90","","1635.3","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B Dy N -","- C17 H23 B Dy N -","- C68 H92 B4 Dy4 N4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.0521","0.0465","","","0.1179","0.122","","","","","","1.022","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349464","16.957","0.006","8.521","0.003","11.457","0.004","90","","101.196","0.006","90","","1623.9","1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B N Y -","- C17 H23 B N Y -","- C68 H92 B4 N4 Y4 -","4","1","","Meng, Yin-Shan; Wang, Chun-Hong; Zhang, Yi-Quan; Leng, Xue-Bing; Wang, Bing-Wu; Chen, Yao-Feng; Gao, Song","(Boratabenzene)(cyclooctatetraenyl) lanthanide complexes: a new type of organometallic single-ion magnet","Inorganic Chemistry Frontiers","2016","3","6","828","","10.1039/C6QI00028B","","","0.71073","MoKα","","0.1095","0.0589","","","0.1285","0.1495","","","","","","0.99","","","","has coordinates","234793","2020-10-21","18:00:00",""
"4349465","26.982","0.013","8.033","0.004","23.293","0.012","90","","98.992","0.009","90","","4987","4","293","1","293","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","pcj031","","","- C22.5 H18.5 Cd0.15 N2.5 O5.5 Zn0.85 -","- C22.5 H18.5 Cd0.15 N2.5 O5.5 Zn0.85 -","- C180 H148 Cd1.2 N20 O44 Zn6.8 -","8","1","","Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.","High photodegradation efficiency of phenol by mixed-metal‒organic frameworks","Inorganic Chemistry Frontiers","2016","3","7","944","","10.1039/C6QI00067C","","","0.71073","MoKα","","0.1215","0.0821","","","0.2028","0.2243","","","","","","1.079","","","","has coordinates","234795","2020-10-21","18:00:00",""
"4349466","27.221","0.007","8.104","0.0019","23.537","0.006","90","","98.906","0.004","90","","5130","2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Cd0.3 N2 O5 Zn0.7 -","- C21 H15 Cd0.3 N2 O5 Zn0.7 -","- C168 H120 Cd2.4 N16 O40 Zn5.6 -","8","1","","Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.","High photodegradation efficiency of phenol by mixed-metal‒organic frameworks","Inorganic Chemistry Frontiers","2016","3","7","944","","10.1039/C6QI00067C","","","0.71073","MoKα","","0.0718","0.0503","","","0.1357","0.1432","","","","","","0.952","","","","has coordinates,has disorder","234795","2020-10-21","18:00:00",""
"4349467","9.5711","0.0008","12.438","0.001","26.565","0.002","90","","90.493","0.004","90","","3162.3","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Cd N5 O6 -","- C31 H29 Cd N5 O6 -","- C124 H116 Cd4 N20 O24 -","4","1","","Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.","High photodegradation efficiency of phenol by mixed-metal‒organic frameworks","Inorganic Chemistry Frontiers","2016","3","7","944","","10.1039/C6QI00067C","","","0.71073","MoKα","","0.07","0.0673","","","0.1545","0.1558","","","","","","1.241","","","","has coordinates,has disorder","234795","2020-10-21","18:00:00",""
"4349468","12.5947","0.0002","15.1874","0.0003","21.5308","0.0004","90","","92.498","0.002","90","","4114.51","0.13","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 N9 O15 Zn2 -","- C40 H39 N9 O15 Zn2 -","- C160 H156 N36 O60 Zn8 -","4","1","","Ni, Lubin; Wang, Juan; Liu, Chang; Fan, Jinhong; Sun, Yun; Zhou, Zhaohui; Diao, Guowang","An asymmetric binuclear zinc(ii) complex with mixed iminodiacetate and phenanthroline ligands: synthesis, characterization, structural conversion and anticancer properties","Inorganic Chemistry Frontiers","2016","3","7","959","","10.1039/C6QI00072J","","","0.71073","MoKα","","0.0538","0.032","","","0.0603","0.0631","","","","","","0.946","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349469","13.8259","0.001","13.8259","0.001","68.225","0.01","90","","90","","120","","11294","2","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C79 H74 Cu3 F12 N12 O5 P2 -","- C79 H72 Cu3 F12 N12 O3 P2 -","- C474 H432 Cu18 F72 N72 O18 P12 -","6","0.166667","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.091","0.044","","","0.11","0.141","","","","","","1.056","","","","has coordinates,has disorder","234800","2020-10-21","18:00:00",""
"4349470","11.5185","0.0008","18.7898","0.0014","19.2943","0.0014","90","","90","","90","","4175.9","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 B2 Cu F8 N7 -","- C44 H41 B2 Cu F8 N7 -","- C176 H164 B8 Cu4 F32 N28 -","4","1","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.038","0.033","","","0.084","0.086","","","","","","1.03","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349471","10.9622","0.0005","11.7396","0.0006","18.0232","0.0009","72.041","0.002","80.116","0.002","62.834","0.002","1961.73","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 B2 Cu2 F8 N6 -","- C42 H38 B2 Cu2 F8 N6 -","- C84 H76 B4 Cu4 F16 N12 -","2","1","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.0505","0.0396","","","0.0974","0.1042","","","","","","1.028","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349472","7.56","0.0006","20.2225","0.0016","16.4909","0.0012","90","","94.726","0.005","90","","2512.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H48 B2 Cu2 F8 N8 O3 -","- C53 H48 B2 Cu2 F8 N8 O3 -","- C106 H96 B4 Cu4 F16 N16 O6 -","2","0.5","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.111","0.078","","","0.155","0.166","","","","","","1.325","","","","has coordinates","234800","2020-10-21","18:00:00",""
"4349473","14.4435","0.0009","17.3551","0.0011","18.0251","0.0012","92.765","0.002","104.869","0.002","96.595","0.002","4323.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H129 Dy2 Fe4 N11 O26 -","- C61 H129 Dy2 Fe4 N11 O26 -","- C122 H258 Dy4 Fe8 N22 O52 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.0746","0.0548","","","0.1246","0.137","","","","","","1.028","","","","has coordinates,has disorder","234803","2020-10-21","18:00:00",""
"4349474","14.423","0.004","17.383","0.005","18.109","0.005","92.839","0.007","104.682","0.007","96.704","0.007","4347","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H129 Fe4 N11 O26 Y2 -","- C57 H115 Fe4 N11 O24 Y2 -","- C114 H230 Fe8 N22 O48 Y4 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.1165","0.0725","","","0.1719","0.1896","","","","","","1.028","","","","has coordinates,has disorder","234803","2020-10-21","18:00:00",""
"4349475","15.278","0.002","16.228","0.003","16.672","0.003","88.375","0.002","89.375","0.002","82.96","0.002","4100.6","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H124 Fe4 Gd2 N12 O27 -","- C58 H124 Fe4 Gd2 N12 O27 -","- C116 H248 Fe8 Gd4 N24 O54 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.075","0.066","","","0.1677","0.1734","","","","","","1.032","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349476","15.269","0.002","16.216","0.002","16.655","0.002","88.379","0.002","89.398","0.002","82.993","0.002","4091.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H124 Eu2 Fe4 N12 O27 -","- C58 H124 Eu2 Fe4 N12 O27 -","- C116 H248 Eu4 Fe8 N24 O54 -","2","1","","Baca, S. G.; van Leusen, J.; Speldrich, M.; Kögerler, P.","Understanding the magnetism of {Fe2Ln} dimers, step-by-step","Inorganic Chemistry Frontiers","2016","3","8","1071","","10.1039/C6QI00095A","","","0.71073","MoKα","","0.0579","0.0474","","","0.1124","0.117","","","","","","1.027","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349477","12.7613","0.0011","13.6635","0.0012","22.0141","0.0017","98.633","0.003","95.552","0.003","108.856","0.002","3547.8","0.5","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H105 Er O28 Ti8 -","- C42 H105 Er O28 Ti8 -","- C84 H210 Er2 O56 Ti16 -","2","1","","Lv, Yaokang; Du, Weishi; Ren, Yan; Cai, Zhiwei; Yu, Kuai; Zhang, Cheng; Chen, Zuofeng; Wright, Dominic S.","An integrated electrochromic supercapacitor based on nanostructured Er-containing titania using an Er(iii)-doped polyoxotitanate cage","Inorganic Chemistry Frontiers","2016","3","9","1119","","10.1039/C6QI00114A","","","0.71073","MoKα","","0.0757","0.0519","","","0.1332","0.1512","","","","","","1.017","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349478","17.2073","0.0011","15.8244","0.001","20.0712","0.0013","90","","90","","90","","5465.3","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H72 Dy Li N4 O4 -","- C64 H72 Dy Li N4 O4 -","- C256 H288 Dy4 Li4 N16 O16 -","4","0.5","","Yu, Ke-Xin; Ding, You-Song; Han, Tian; Leng, Ji-Dong; Zheng, Yan-Zhen","Magnetic relaxations in four-coordinate Dy(iii) complexes: effects of anionic surroundings and short Dy–O bonds","Inorganic Chemistry Frontiers","2016","3","8","1028","","10.1039/C6QI00117C","","","0.71073","MoKα","","0.0317","0.0223","","","0.0498","0.0545","","","","","","1.043","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349479","17.1728","0.0013","18.0592","0.0013","19.3313","0.0014","90","","95.064","0.001","90","","5971.8","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H63 Dy Li N O4 -","- C73 H63 Dy Li N O4 -","- C292 H252 Dy4 Li4 N4 O16 -","4","1","","Yu, Ke-Xin; Ding, You-Song; Han, Tian; Leng, Ji-Dong; Zheng, Yan-Zhen","Magnetic relaxations in four-coordinate Dy(iii) complexes: effects of anionic surroundings and short Dy–O bonds","Inorganic Chemistry Frontiers","2016","3","8","1028","","10.1039/C6QI00117C","","","0.71073","MoKα","","0.0716","0.0552","","","0.1031","0.1105","","","","","","1.184","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349480","22.503","0.005","28.973","0.006","29.063","0.006","90","","90","","90","","18948","7","173","2","173","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C27 H17 Eu O7 -","- C27 H17 Eu O7 -","- C864 H544 Eu32 O224 -","32","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhao, Yong-Sheng; Hao, Xiang; Zhu, Dao-Ben","Two-step warming solvothermal syntheses, luminescence and slow magnetic relaxation of isostructural dense LnMOFs based on nanoscale 3-connected linkers","Inorganic Chemistry Frontiers","2016","3","8","1076","","10.1039/C6QI00137H","","","0.71073","MoKα","","0.0867","0.0851","","","0.1812","0.1822","","","","","","1.189","","","","has coordinates","234809","2020-10-21","18:00:00",""
"4349481","22.497","0.005","28.847","0.006","28.988","0.006","90","","90","","90","","18812","7","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H17 Dy N0 O7 -","- C27 H17 Dy O7 -","- C864 H544 Dy32 O224 -","32","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhao, Yong-Sheng; Hao, Xiang; Zhu, Dao-Ben","Two-step warming solvothermal syntheses, luminescence and slow magnetic relaxation of isostructural dense LnMOFs based on nanoscale 3-connected linkers","Inorganic Chemistry Frontiers","2016","3","8","1076","","10.1039/C6QI00137H","","","0.71073","MoKα","","0.0938","0.0919","","","0.2165","0.2168","","","","","","1.123","","","","has coordinates","234809","2020-10-21","18:00:00",""
"4349482","36.9471","0.0004","18.5389","0.0002","14.4165","0.0002","90","","97.532","0.001","90","","9789.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H104 Cl8 Lu N16 O8 -","- C104 H104 Cl8 Lu N16 O8 -","- C416 H416 Cl32 Lu4 N64 O32 -","4","0.5","","Cao, Wei; Wang, Kang; Ledoux-Rak, Isabelle; Jiang, Jianzhuang","ABAB-type phthalocyanines simultaneously bearing electron donating and electron accepting groups. Synthesis, spectroscopy, and structure","Inorganic Chemistry Frontiers","2016","3","9","1146","","10.1039/C6QI00147E","","","1.54178","CuKα","","0.0373","0.0334","","","0.0878","0.0907","","","","","","1.033","","","","has coordinates","234811","2020-10-21","18:00:00",""
"4349483","11.3936","0.0012","15.0984","0.001","16.4187","0.0015","83.898","0.007","89.844","0.008","69.577","0.008","2630.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Cl4 Mg N8 O6 -","- C54 H60 Cl4 Mg N8 O6 -","- C108 H120 Cl8 Mg2 N16 O12 -","2","1","","Cao, Wei; Wang, Kang; Ledoux-Rak, Isabelle; Jiang, Jianzhuang","ABAB-type phthalocyanines simultaneously bearing electron donating and electron accepting groups. Synthesis, spectroscopy, and structure","Inorganic Chemistry Frontiers","2016","3","9","1146","","10.1039/C6QI00147E","","","1.54178","CuKα","","0.0538","0.0452","","","0.1206","0.1277","","","","","","1.051","","","","has coordinates","234811","2020-10-21","18:00:00",""
"4349485","14.787","0.003","15.067","0.003","18.853","0.004","81.79","0.03","71.41","0.03","89.01","0.03","3938.6","1.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 N8 Na4 O4 -","- C72 H60 N8 Na4 O4 -","- C144 H120 N16 Na8 O8 -","2","1","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1438","0.0882","","","0.2331","0.2651","","","","","","0.972","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349486","15.57","0.003","17.11","0.003","18.14","0.004","93.88","0.03","93.24","0.03","116.22","0.03","4305.2","1.9","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H84 N8 Na4 O4 -","- C87 H84 N8 Na4 O4 -","- C174 H168 N16 Na8 O8 -","2","1","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1138","0.0808","","","0.2112","0.2334","","","","","","1.0355","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349487","14.507","0.003","16.694","0.003","17","0.003","100.84","0.03","105.1","0.03","115.3","0.03","3376","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C146 H152 N12 Na6 O6 -","- C146 H152.428 N12 Na6 O6 -","- C146 H152.428 N12 Na6 O6 -","1","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.0953","0.0781","","","0.1801","0.1924","","","","","","1.114","","","","has coordinates,has disorder","234814","2020-10-21","18:00:00",""
"4349488","31.79","0.006","18.998","0.004","30.209","0.006","90","","109.39","0.03","90","","17210","7","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C186 H148 N8 Na4 O4 -","- C186 H148 N8 Na4 O4 -","- C744 H592 N32 Na16 O16 -","4","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.134","0.1047","","","0.2151","0.2312","","","","","","1.178","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349489","14.41","0.003","17.255","0.003","17.335","0.003","110.08","0.03","104.88","0.03","109.92","0.03","3448","2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C152 H166 N12 Na6 O6 -","- C152 H166 N12 Na6 O6 -","- C152 H166 N12 Na6 O6 -","1","0.5","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1771","0.139","","","0.2373","0.255","","","","","","1.26","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349490","16.0814","0.0014","19.4781","0.0016","25.689","0.002","70.678","0.003","89.763","0.004","79.664","0.004","7457","1.1","173.15","","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H156 N16 Na4 O8 -","- C160 H156 N16 Na4 O8 -","- C320 H312 N32 Na8 O16 -","2","1","","Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua","Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide","Inorganic Chemistry Frontiers","2016","3","9","1178","","10.1039/C6QI00155F","","","0.71073","MoKα","","0.1065","0.0898","","","0.2424","0.2578","","","","","","1.13","","","","has coordinates","234814","2020-10-21","18:00:00",""
"4349491","9.316","0.003","12.398","0.004","13.684","0.004","95.35","0.018","104.121","0.016","102.151","0.018","1480.9","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Hg2 N16 O13 -","- C54 H50 Hg2 N16 O13 -","- C54 H50 Hg2 N16 O13 -","1","0.5","","Chen, Min-Min; Chen, Liang; Li, Hong-Xi; Brammer, Lee; Lang, Jian-Ping","Highly selective detection of Hg2+ and MeHgI by di-pyridin-2-yl-[4-(2-pyridin-4-yl-vinyl)-phenyl]-amine and its zinc coordination polymer","Inorganic Chemistry Frontiers","2016","3","10","1297","","10.1039/C6QI00160B","","","0.71073","MoKα","","0.0781","0.0446","","","0.1006","0.1164","","","","","","1.113","","","","has coordinates","234817","2020-10-21","18:00:00",""
"4349492","10.3894","0.0005","10.7374","0.0005","15.0526","0.0008","97.447","0.004","97.813","0.004","106.968","0.004","1565.59","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N4 O4 Zn -","- C35 H24 N4 O4 Zn -","- C70 H48 N8 O8 Zn2 -","2","1","","Chen, Min-Min; Chen, Liang; Li, Hong-Xi; Brammer, Lee; Lang, Jian-Ping","Highly selective detection of Hg2+ and MeHgI by di-pyridin-2-yl-[4-(2-pyridin-4-yl-vinyl)-phenyl]-amine and its zinc coordination polymer","Inorganic Chemistry Frontiers","2016","3","10","1297","","10.1039/C6QI00160B","","","0.71073","MoKα","","0.0968","0.0694","","","0.1939","0.2172","","","","","","1.05","","","","has coordinates,has disorder","234817","2020-10-21","18:00:00",""
"4349493","12.546","0.003","14.922","0.003","12.355","0.003","90","","118.52","0.03","90","","2032.3","1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl N8 -","- C50 H44 Cl N8 -","- C100 H88 Cl2 N16 -","2","0.5","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.1005","0.0962","","","0.2552","0.2591","","","","","","1.125","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349494","19.07","0.003","19.07","0.003","12.81","0.003","90","","90","","90","","4658.5","1.5","173.15","","173.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0422","0.0416","","","0.1078","0.1085","","","","","","1.037","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349495","17.232","0.003","16.286","0.003","16.384","0.003","90","","90","","90","","4598","1.4","173.15","","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H48 Br2 Mg2 N10 -","- C52 H48 Br2 Mg2 N10 -","- C208 H192 Br8 Mg8 N40 -","4","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0492","0.0453","","","0.1007","0.1073","","","","","","1.08","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349496","8.9764","0.0019","18.234","0.004","30.861","0.007","90","","90","","90","","5051.2","1.9","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Al2 N4 -","- C28 H32 Al2 N4 -","- C224 H256 Al16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71075","MoKα","","0.0579","0.057","","","0.1324","0.1331","","","","","","1.183","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349497","34.71","0.007","8.91","0.0018","18.77","0.004","90","","101.07","0.03","90","","5697","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Al2 N4 -","- C30 H36 Al2 N4 -","- C240 H288 Al16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71073","MoKα","","0.0743","0.0702","","","0.1418","0.1437","","","","","","1.223","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349498","14.157","0.003","12.201","0.002","27.433","0.006","90","","101.37","0.03","90","","4645.5","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Cl4 Mn3 N6 O7 -","- C39 H47 Cl4 Mn3 N6 O7 -","- C156 H188 Cl16 Mn12 N24 O28 -","4","1","","Cirera, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz, Eliseo","Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks","Inorganic Chemistry Frontiers","2016","3","10","1272","","10.1039/C6QI00189K","","","0.71073","MoKα","","0.1095","0.0695","","","0.1816","0.1978","","","","","","1.1","","","","has coordinates,has disorder","234823","2020-10-21","18:00:00",""
"4349499","19.121","0.004","12.396","0.003","20.085","0.004","90","","96.26","0.03","90","","4732.2","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H108 Cl10 Mn6 N4 O16 -","- C78 H108 Cl10 Mn6 N4 O16 -","- C156 H216 Cl20 Mn12 N8 O32 -","2","0.5","","Cirera, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz, Eliseo","Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks","Inorganic Chemistry Frontiers","2016","3","10","1272","","10.1039/C6QI00189K","","","0.71073","MoKα","","0.1107","0.0731","","","0.2006","0.2191","","","","","","1.085","","","","has coordinates,has disorder","234823","2020-10-21","18:00:00",""
"4349500","20.8935","0.0007","16.0332","0.0006","28.1694","0.001","90","","90","","90","","9436.5","0.6","125","2","125","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H35 Co4 N14 O24 -","- C54 H35 Co4 N14 O24 -","- C216 H140 Co16 N56 O96 -","4","1","","Liu, Xiao-Ting; Jia, Yan-Yuan; Zhang, Ying-Hui; Ren, Guo-Jian; Feng, Rui; Zhang, Shi-Yu; Zaworotko, Michael J.; Bu, Xian-He","A new Co(ii) metal‒organic framework with enhanced CO2 adsorption and separation performance","Inorganic Chemistry Frontiers","2016","3","12","1510","","10.1039/C6QI00191B","","","1.54184","CuKα","","0.1154","0.0877","","","0.2256","0.2467","","","","","","0.988","","","","has coordinates","234826","2020-10-21","18:00:00",""
"4349501","9.951","0.002","11.437","0.002","13.867","0.003","69.55","0.03","71.55","0.03","73.82","0.03","1377.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl2 N2 O Ru -","- C32 H28 Cl2 N2 O Ru -","- C64 H56 Cl4 N4 O2 Ru2 -","2","1","","Subarkhan, Mohamed Kasim Mohamed; Ramesh, Rengan","Ruthenium(ii) arene complexes containing benzhydrazone ligands: synthesis, structure and antiproliferative activity","Inorganic Chemistry Frontiers","2016","3","10","1245","","10.1039/C6QI00197A","","","0.71073","MoKα","","0.037","0.0319","","","0.0911","0.1035","","","","","","1.152","","","","has coordinates","234828","2020-10-21","18:00:00",""
"4349502","28.5599","0.0009","4.0228","0.0001","22.5333","0.0007","90","","95.54","0.003","90","","2576.78","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Au2 Cl2 N4 S2 -","- C26 H20 Au2 Cl2 N4 S2 -","- C104 H80 Au8 Cl8 N16 S8 -","4","0.5","","Sun, Raymond Wai-Yin; Xu, Ruo-Fan; Song, Huan-Quan; Saint-Germain, Camille; Zhang, Ming; Ni, Wen-Xiu; Chen, Chun-Xia; Hemmert, Catherine; Gornitzka, Heinz; Li, Dan","A gold(i)‒pyrazolato complex as a switch-on luminescent probe for cysteine: in situ formation of fluorescent nanoparticles and rose-like microspheres","Inorganic Chemistry Frontiers","2016","3","11","1406","","10.1039/C6QI00205F","","","0.71073","MoKα","","0.0494","0.0384","","","0.0945","0.1049","","","","","","1.042","","","","has coordinates,has disorder","234830","2020-10-21","18:00:00",""
"4349503","18.28","0.02","18.49","0.02","19.33","0.02","112.371","0.012","114.135","0.011","95.882","0.011","5249","10","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Ni-SSC","","- C75 H92 N18 Ni3 O4 S12 -","- C75 H90 N18 Ni3 O4 S12 -","- C150 H180 N36 Ni6 O8 S24 -","2","1","","Yu, Hao; He, Cheng; Xu, Jing; Duan, Chunying; Reek, Joost N. H.","Metal‒organic redox vehicles to encapsulate organic dyes for photocatalytic protons and carbon dioxide reduction","Inorganic Chemistry Frontiers","2016","3","10","1256","","10.1039/C6QI00211K","","","0.71073","MoKα","","0.325","0.1082","","","0.2445","0.3951","","","","","","0.998","","","","has coordinates,has disorder","234832","2020-10-21","18:00:00",""
"4349504","8.454","0.002","18.86","0.004","23.003","0.005","90","","90","","90","","3667.7","1.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ni-MSSC-cis","","- C38 H40 N6 Ni S4 -","- C38 H40 N6 Ni S4 -","- C152 H160 N24 Ni4 S16 -","4","1","","Yu, Hao; He, Cheng; Xu, Jing; Duan, Chunying; Reek, Joost N. H.","Metal‒organic redox vehicles to encapsulate organic dyes for photocatalytic protons and carbon dioxide reduction","Inorganic Chemistry Frontiers","2016","3","10","1256","","10.1039/C6QI00211K","","","0.71073","MoKα","","0.0866","0.0556","","","0.1143","0.1268","","","","","","1.008","","","","has coordinates","234832","2020-10-21","18:00:00",""
"4349505","22.7393","0.0015","22.7393","0.0015","10.7316","0.001","90","","90","","120","","4805.6","0.6","296","2","296","2","","","","","","","","5","P 62","P 62","171","","","","- C21 H10 Cu N2 O8 -","- C21 H10 Cu N2 O8 -","- C126 H60 Cu6 N12 O48 -","6","1","","Jiao, Jingjing; Liu, Huimin; Chen, Fengli; Bai, Dongjie; Xiong, Shunshun; He, Yabing","An anionic metal‒organic framework based on angular tetracarboxylic acid and a mononuclear copper ion for selective gas adsorption","Inorganic Chemistry Frontiers","2016","3","11","1411","","10.1039/C6QI00245E","","","0.71073","MoKα","","0.1148","0.0992","","","0.2992","0.3149","","","","","","1.038","","","","has coordinates","234834","2020-10-21","18:00:00",""
"4349506","13.9331","0.0013","14.8995","0.0013","19.1156","0.0017","88.373","0.013","85.477","0.012","71.782","0.01","3757.6","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H80 Ag B Cl4 F4 N2 P2 -","- C83 H80 Ag B Cl4 F4 N2 P2 -","- C166 H160 Ag2 B2 Cl8 F8 N4 P4 -","2","1","","Kakizoe, Daichi; Nishikawa, Michihiro; Degawa, Taku; Tsubomura, Taro","Intense blue emission and a reversible hypsochromic shift of luminescence caused by grinding based on silver(i) complexes","Inorganic Chemistry Frontiers","2016","3","11","1381","","10.1039/C6QI00254D","","","0.7107","MoKα","","0.1055","0.0935","","","","0.2426","","","","","","1.105","","","","has coordinates","234836","2020-10-21","18:00:00",""
"4349507","17.4551","0.0013","17.4551","0.0011","44.281","0.003","90","0.005","90","0.005","90","0.005","13491.6","1.6","123","2","123","2","","","","","","","","6","P 41","P 4w","76","","","","- C81 H80 Ag B N2 P2 -","- C81 H80 Ag B N2 P2 -","- C648 H640 Ag8 B8 N16 P16 -","8","2","","Kakizoe, Daichi; Nishikawa, Michihiro; Degawa, Taku; Tsubomura, Taro","Intense blue emission and a reversible hypsochromic shift of luminescence caused by grinding based on silver(i) complexes","Inorganic Chemistry Frontiers","2016","3","11","1381","","10.1039/C6QI00254D","","","0.7107","MoKα","","0.0573","0.0493","","","","0.1048","","","","","","1.063","","","","has coordinates","234836","2020-10-21","18:00:00",""
"4349508","12.6427","0.0013","12.643","","14.7501","0.0016","90","","90","","90","","2357.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl3 In N2 O7 -","- C20 H20 Cl3 In N2 O7 -","- C80 H80 Cl12 In4 N8 O28 -","4","1","","Du, Xi; Fan, Ruiqing; Fan, Jizhuang; Qiang, Liangsheng; Song, Yang; Dong, Yuwei; Xing, Kai; Wang, Ping; Yang, Yulin","Self-assembly of two supramolecular indium(iii) metal‒organic frameworks for reversible iodine capture and large band gap change semiconductor behavior","Inorganic Chemistry Frontiers","2016","3","11","1480","","10.1039/C6QI00259E","","","0.71073","MoKα","","0.0594","0.0396","","","0.0941","0.1169","","","","","","1.086","","","","has coordinates","234838","2020-10-21","18:00:00",""
"4349509","14.9345","0.0007","21.389","0.001","17.4012","0.0009","90","","92.797","0.002","90","","5551.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H41 Cl4 In2 N9 O6 -","- C54 H41 Cl4 In2 N9 O6 -","- C216 H164 Cl16 In8 N36 O24 -","4","1","","Du, Xi; Fan, Ruiqing; Fan, Jizhuang; Qiang, Liangsheng; Song, Yang; Dong, Yuwei; Xing, Kai; Wang, Ping; Yang, Yulin","Self-assembly of two supramolecular indium(iii) metal‒organic frameworks for reversible iodine capture and large band gap change semiconductor behavior","Inorganic Chemistry Frontiers","2016","3","11","1480","","10.1039/C6QI00259E","","","0.71073","MoKα","","0.1294","0.0625","","","0.1543","0.1903","","","","","","1.041","","","","has coordinates","234838","2020-10-21","18:00:00",""
"4349510","9.3526","0.0009","9.3526","0.0009","22.285","0.003","90","","90","","120","","1688.1","0.3","445","2","445","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H15 I9 N6 Sb2 -","- C8.97 H14.85 I9 N6 Sb2 -","- C17.94 H29.7 I18 N12 Sb4 -","2","0.0833333","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.153","0.0651","","","0.1752","0.2337","","","","","","0.952","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349511","8.9215","0.0007","16.9118","0.001","22.3716","0.0015","90","","90","","90","","3375.4","0.4","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H15 I9 N6 Sb2 -","- C9 H15 I9 N6 Sb2 -","- C36 H60 I36 N24 Sb8 -","4","0.25","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1354","0.0647","","","0.1809","0.2327","","","","","","1.048","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349512","8.9409","0.0014","16.749","0.002","22.494","0.003","90","","90","","90","","3368.5","0.8","300","2","300","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H15 Bi2 I9 N6 -","- C9 H15 Bi2 I9 N6 -","- C36 H60 Bi8 I36 N24 -","4","0.25","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1937","0.047","","","0.0928","0.1128","","","","","","0.848","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349513","9.2914","0.0009","9.2914","0.0009","22.503","0.003","90","","90","","120","","1682.4","0.3","350","2","350","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H15 Bi2 I9 N6 -","- C8.97 H14.85 Bi2 I9 N6 -","- C17.94 H29.7 Bi4 I18 N12 -","2","0.0833333","","Węcławik, M.; Gągor, A.; Jakubas, R.; Piecha-Bisiorek, A.; Medycki, W.; Baran, J.; Zieliński, P.; Gałązka, M.","Structure‒property relationships in hybrid (C3H5N2)3[Sb2I9] and (C3H5N2)3[Bi2I9] isomorphs","Inorganic Chemistry Frontiers","2016","3","10","1306","","10.1039/C6QI00260A","","","0.71073","MoKα","","0.1491","0.0411","","","0.0837","0.1006","","","","","","0.88","","","","has coordinates","234841","2020-10-21","18:00:00",""
"4349514","19.39","0.1","15.81","0.1","17.9","0.1","90","","90","","90","","5487","5","293","2","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C22 B8.08 O194.64 Si87.92 -","- C16 B8 O196.96 Si88 -","- C16 B8 O196.96 Si88 -","1","0.0625","","Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong","Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction","Inorganic Chemistry Frontiers","2016","3","11","1444","","10.1039/C6QI00262E","","","0.0251","Electrons","","0.2187","0.1456","","","0.3396","0.3667","","","","","","0.956","","","","has coordinates","234843","2020-10-21","18:00:00",""
"4349515","19.3918","0.0002","15.7008","0.0001","17.7673","0.0001","90","","90","","90","","5409.55","0.07","100","","100","","","","","","","","","6","C m c e","-C 2ac 2","64","as_made_EMM-26","","","- C8.61 H17.75 B N1.08 O24.13 Si11 -","- C8.5984 H18.0029 B1.0004 N1.0748 O24.132 Si10.9994 -","- C68.7872 H144.023 B8.0032 N8.5984 O193.056 Si87.9952 -","8","0.5","","Guo, Peng; Strohmaier, Karl; Vroman, Hilda; Afeworki, Mobae; Ravikovitch, Peter I.; Paur, Charanjit S.; Sun, Junliang; Burton, Allen; Zou, Xiaodong","Accurate structure determination of a borosilicate zeolite EMM-26 with two-dimensional 10 ×10 ring channels using rotation electron diffraction","Inorganic Chemistry Frontiers","2016","3","11","1444","","10.1039/C6QI00262E","powder diffraction","x-ray","0.4009","synchrotron","","","","","","","","","0.03","3.602","","","","","","","has coordinates","234845","2020-10-21","18:00:00",""
"4349516","9.824","0.002","10.344","0.002","15.141","0.003","88.4","0.03","73.13","0.03","88.03","0.03","1471.3","0.6","153.15","","153.15","","","","","","","","chloroform","5","P -1","-P 1","2","L1","L1","","- C42 H46 Cl18 N6 O4 -","- C42 H46 Cl18 N6 O4 -","- C42 H46 Cl18 N6 O4 -","1","0.5","","Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan","Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection","Inorganic Chemistry Frontiers","2016","3","11","1363","","10.1039/C6QI00267F","","","0.71073","MoKα","","0.0665","0.0542","","","0.1316","0.1405","","","","","","1.073","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349517","10.24","0.002","10.25","0.002","12.374","0.003","86.03","0.03","67.18","0.03","69.76","0.03","1120","0.5","153.15","","153.15","","","","","","","","","4","P -1","-P 1","2","L3","L3","","- C50 H56 N6 O6 -","- C50 H56 N6 O6 -","- C50 H56 N6 O6 -","1","0.5","","Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan","Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection","Inorganic Chemistry Frontiers","2016","3","11","1363","","10.1039/C6QI00267F","","","0.71073","MoKα","","0.0614","0.055","","","0.1351","0.1392","","","","","","1.11","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349518","11.337","0.004","19.412","0.007","33.776","0.011","90","","90","","90","","7433","4","293.15","","293","2","","","","","","","none","7","F d d d :2","-F 2uv 2vw","70","C1","C1","","- C30 H36 Br2 Cl2 N6 O12 Zn -","- C30 H36 Br2 Cl2 N6 O12 Zn -","- C240 H288 Br16 Cl16 N48 O96 Zn8 -","8","0.25","","Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan","Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection","Inorganic Chemistry Frontiers","2016","3","11","1363","","10.1039/C6QI00267F","","","0.71075","MoKα","","0.0747","0.061","","","0.1322","0.1394","","","","","","1.216","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349519","13.657","0.005","18.686","0.005","31.503","0.005","90","0.005","101.532","0.005","90","0.005","7877","4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C39 H25 Cu3 N6 O13 -","- C39 H25 Cu3 N6 O13 -","- C156 H100 Cu12 N24 O52 -","4","0.5","","Kourtellaris, Andreas; Moushi, Eleni E.; Spanopoulos, Ioannis; Tampaxis, Christos; Charalambopoulou, Georgia; Steriotis, Theodore A.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.","A microporous Cu2+MOF based on a pyridyl isophthalic acid Schiff base ligand with high CO2uptake","Inorganic Chemistry Frontiers","2016","3","12","1527","","10.1039/C6QI00273K","","","1.5418","CuKα","","0.0898","0.0765","","","0.2362","0.2505","","","","","","1.189","","","","has coordinates","234849","2020-10-21","18:00:00",""
"4349520","13.1619","0.0008","16.2198","0.0012","18.9453","0.0014","90","","97.214","0.003","90","","4012.5","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[RS-Diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-4-yl)ethoxy)amino) propyl)phosphonate-N,O][SR-diethyl-(2,2-dimethyl-1-(tert-butyl-(1- (pyridine-4-yl)ethoxy)amino)propyl)phosphonate-N,O]bis[bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato)copper]","","- C60 H76 Cu2 F24 N4 O16 P2 -","- C60 H76 Cu2 F24 N4 O16 P2 -","- C120 H152 Cu4 F48 N8 O32 P4 -","2","0.5","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.0794","0.0508","","","0.1296","0.1607","","","","","","1.056","","","","has coordinates,has disorder","234851","2020-10-21","18:00:00",""
"4349521","10.631","0.0003","11.8915","0.0004","32.1197","0.0011","90","","98.907","0.002","90","","4011.6","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Catena{(diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-4-yl)ethoxy)amino) propyl)phosphonate-N,O)bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)copper}","","- C30 H39 Cu F12 N4 O8 P -","- C30 H39 Cu F12 N2 O8 P -","- C120 H156 Cu4 F48 N8 O32 P4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.1192","0.0649","","","0.1661","0.1993","","","","","","1.082","","","","has coordinates","234851","2020-10-21","18:00:00",""
"4349522","9.389","0.0006","17.4016","0.0011","19.6691","0.0012","63.746","0.002","77.272","0.003","87.428","0.003","2806.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","[RR-diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-2-yl)ethoxy)amino) propyl)phosphonate-N,O][SS-diethyl-(2,2-dimethyl-1-(tert-butyl- (1-(pyridine-2-yl)ethoxy)amino)propyl)phosphonate-N,O]tris[bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato)copper]","","- C70 H80 Cu3 F36 N4 O20 P2 -","- C70 H80 Cu3 F36 N4 O20 P2 -","- C70 H80 Cu3 F36 N4 O20 P2 -","1","0.5","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.095","0.0545","","","0.1253","0.1301","","","","","","1.075","","","","has coordinates,has disorder","234851","2020-10-21","18:00:00",""
"4349523","9.5604","0.0002","19.9209","0.0006","20.718","0.0006","90","","96.103","0.001","90","","3923.42","0.18","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-2-yl)ethoxy)amino)propyl) phosphonate-N,O]bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper","","- C30 H39 Cu F12 N2 O8 P -","- C30 H39 Cu F12 N2 O8 P -","- C120 H156 Cu4 F48 N8 O32 P4 -","4","1","","Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana","C–ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts","Inorganic Chemistry Frontiers","2016","3","11","1464","","10.1039/C6QI00277C","","","0.71073","MoKα","","0.0825","0.0582","","","0.1591","0.1851","","","","","","1.08","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349524","22.4258","0.0016","22.4258","0.0016","10.919","0.0015","90","","90","","120","","4755.6","0.8","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H25 Cu N3 O8 -","- C25 H25 Cu N3 O8 -","- C150 H150 Cu6 N18 O48 -","6","1","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Zhu, Zhonghua; Wang, Yao-Yu","A chiral metal‒organic framework with polar channels: unique interweaving six-fold helices and high CO2/CH4 separation","Inorganic Chemistry Frontiers","2016","3","10","1326","","10.1039/C6QI00282J","","","0.71073","MoKα","","0.0875","0.0803","","","0.2218","0.2286","","","","","","1.045","","","","has coordinates","234854","2020-10-21","18:00:00",""
"4349525","4.3566","0.0007","21.531","0.003","11.0429","0.0017","90","","91.093","0.002","90","","1035.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br3 N Pb -","- C6 H7 Br3 N Pb -","- C24 H28 Br12 N4 Pb4 -","4","1","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.0337","0.0273","","","0.0669","0.0695","","","","","","1.099","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349526","8.0898","0.0006","12.4533","0.0009","22.9102","0.0016","82.109","0.001","89.555","0.001","76.313","0.001","2220.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Br6 N2 Pb2 -","- C12 H14 Br6 N2 Pb2 -","- C48 H56 Br24 N8 Pb8 -","4","2","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.0571","0.0331","","","0.0667","0.0749","","","","","","0.955","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349527","9.7421","0.0006","12.9277","0.0008","13.2958","0.0008","116.07","0.001","110.709","0.001","90.918","0.001","1377.36","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Br18 N4 Pb7 -","- C24 H28 Br18 N4 Pb7 -","- C24 H28 Br18 N4 Pb7 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.048","0.0365","","","0.0874","0.0925","","","","","","1.009","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349528","18.748","0.003","9.5035","0.0016","12.453","0.002","90","","110.85","0.002","90","","2073.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H28 Br10 N4 Pb3 -","- C24 H28 Br10 N4 Pb3 -","- C48 H56 Br20 N8 Pb6 -","2","0.25","","Liu, Guangfeng; Liu, Jie; Tao, Xutang; Li, Dong-sheng; Zhang, Qichun","Surfactants as additives make the structures of organic‒inorganic hybrid bromoplumbates diverse","Inorganic Chemistry Frontiers","2016","3","11","1388","","10.1039/C6QI00292G","","","0.71073","MoKα","","0.0687","0.049","","","0.1153","0.1258","","","","","","0.996","","","","has coordinates","234856","2020-10-21","18:00:00",""
"4349529","10.244","0.002","10.4376","0.0019","11.148","0.002","104.961","0.015","90.25","0.016","103.255","0.015","1118.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 N2 O2 P S2 -","- C23 H25 N2 O2 P S2 -","- C46 H50 N4 O4 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Mitoraj, Mariusz P.; Kubisiak, Piotr; Robeyns, Koen; Bolte, Michael; Garcia, Yann","An intermolecular pyrene excimer in the pyrene-labeled N-thiophosphorylated thiourea and its nickel(ii) complex","Inorganic Chemistry Frontiers","2016","3","11","1419","","10.1039/C6QI00298F","","","0.71073","MoKα","","0.1057","0.0573","","","0.1091","0.1223","","","","","","0.924","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349530","10.2046","0.0006","10.7201","0.0007","10.8463","0.0005","90.022","0.005","108.105","0.005","105.302","0.005","1083.39","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 N4 Ni O4 P2 S4 -","- C46 H48 N4 Ni O4 P2 S4 -","- C46 H48 N4 Ni O4 P2 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Mitoraj, Mariusz P.; Kubisiak, Piotr; Robeyns, Koen; Bolte, Michael; Garcia, Yann","An intermolecular pyrene excimer in the pyrene-labeled N-thiophosphorylated thiourea and its nickel(ii) complex","Inorganic Chemistry Frontiers","2016","3","11","1419","","10.1039/C6QI00298F","","","0.68239","synchrotron","","0.0361","0.0323","","","0.0818","0.084","","","","","","1.056","","","","has coordinates","234858","2020-10-21","18:00:00",""
"4349534","11.6184","0.0007","15.9574","0.001","15.0119","0.0011","90","","90","","90","","2783.2","0.3","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H36 I2 N24 Na2 O20 -","- C36 H36 I2 N24 Na2 O20 -","- C72 H72 I4 N48 Na4 O40 -","2","0.25","","Lin, Jing-Xiang; Liang, Jun; Feng, Ji-Fei; Karadeniz, Bahar; Lü, Jian; Cao, Rong","Iodine uptake and enhanced electrical conductivity in a porous coordination polymer based on cucurbit[6]uril","Inorganic Chemistry Frontiers","2016","3","11","1393","","10.1039/C6QI00305B","","","1.54184","CuKα","","0.0801","0.0665","","","0.2055","0.2235","","","","","","1.072","","","","has coordinates","234861","2020-10-21","18:00:00",""
"4349540","13.698","0.003","7.8637","0.0016","13.681","0.003","90","","108.65","0.03","90","","1396.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.77 N8 Rb0.23 -","- C8 H12 Co K0.77 N8 Rb0.23 -","- C32 H48 Co4 K3.08 N32 Rb0.92 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0358","0.0301","","","0.0755","0.077","","","","","","1.085","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349541","13.711","0.003","7.888","0.0016","13.717","0.003","90","","108.73","0.03","90","","1405","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.69 N8 Rb0.31 -","- C8 H12 Co K0.69 N8 Rb0.31 -","- C32 H48 Co4 K2.76 N32 Rb1.24 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0614","0.0571","","","0.1694","0.1727","","","","","","1.104","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349542","13.72","0.003","7.9003","0.0016","13.729","0.003","90","","108.62","0.03","90","","1410.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.66 N8 Rb0.34 -","- C8 H12 Co K0.66 N8 Rb0.34 -","- C32 H48 Co4 K2.64 N32 Rb1.36 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0602","0.0547","","","0.1678","0.171","","","","","","1.124","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349543","13.754","0.003","7.8831","0.0016","13.749","0.003","90","","108.47","0.03","90","","1413.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.56 N8 Rb0.44 -","- C8 H12 Co K0.56 N8 Rb0.44 -","- C32 H48 Co4 K2.24 N32 Rb1.76 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.052","0.0478","","","0.1545","0.1573","","","","","","1.187","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349544","13.781","0.003","7.8981","0.0016","13.776","0.003","90","","108.34","0.03","90","","1423.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co K0.38 N8 Rb0.62 -","- C8 H12 Co K0.38 N8 Rb0.62 -","- C32 H48 Co4 K1.52 N32 Rb2.48 -","4","0.5","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0582","0.0506","","","0.1385","0.1418","","","","","","1.07","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349545","11.466","0.005","11.466","0.005","11.466","0.005","90","","90","","90","","1507.4","1.1","460","2","460","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C16 Co2 K1.54 N16 Rb0.46 -","- C16.0008 Co2 K1.5398 N16 Rb0.4598 -","- C32.0016 Co4 K3.0796 N32 Rb0.9196 -","2","0.0104167","","Shi, Chao; Han, Xiang-Bin; Wang, Ya; Zhang, Wen","Tuning dielectric transitions by B′-site mixing in hybrid double perovskite crystals (CH3NH3)2[K1−xRbxCo(CN)6] (x = 0.23‒0.62)","Inorganic Chemistry Frontiers","2016","3","12","1604","","10.1039/C6QI00347H","","","0.71073","MoKα","","0.0929","0.0929","","","0.2398","0.2396","","","","","","1.279","","","","has coordinates","234869","2020-10-21","18:00:00",""
"4349552","19.314","0.004","12.669","0.003","17.15","0.004","90","","90","","90","","4196.4","1.6","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H35 Cl2 N7 O2 Zn2 -","- C46 H35 Cl2 N7 O2 Zn2 -","- C184 H140 Cl8 N28 O8 Zn8 -","4","1","","Dhara, Ashish Kumar; Singh, Udai P.; Ghosh, Kaushik","Radical pathways and O2 participation in benzyl alcohol oxidation, and catechol and o-aminophenol oxidase activity studies with novel zinc complexes: an experimental and theoretical investigation","Inorganic Chemistry Frontiers","2016","3","12","1543","","10.1039/C6QI00356G","","","0.71073","MoKα","","0.1223","0.0553","","","0.1296","0.1699","","","","","","0.94","","","","has coordinates","234875","2020-10-21","18:00:00",""
"4349553","11.506","0.007","11.966","0.007","15.127","0.009","84.49","0.03","89.19","0.03","63.54","0.03","1855","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl2 N6 O4 Zn2 -","- C38 H32 Cl2 N6 O4 Zn2 -","- C76 H64 Cl4 N12 O8 Zn4 -","2","1","","Dhara, Ashish Kumar; Singh, Udai P.; Ghosh, Kaushik","Radical pathways and O2 participation in benzyl alcohol oxidation, and catechol and o-aminophenol oxidase activity studies with novel zinc complexes: an experimental and theoretical investigation","Inorganic Chemistry Frontiers","2016","3","12","1543","","10.1039/C6QI00356G","","","0.71073","MoKα","","0.0754","0.0439","","","0.1111","0.1408","","","","","","0.882","","","","has coordinates","234875","2020-10-21","18:00:00",""
"4349558","6.06932","0.00011","25.5373","0.0006","27.9983","0.0006","90","","90","","90","","4339.57","0.16","292.2","0.6","292.2","0.6","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C28 H32 Br Cu N12 O4 -","- C28 H32 Br Cu N12 O4 -","- C112 H128 Br4 Cu4 N48 O16 -","4","0.5","","Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong","Bromide anion-triggered visible responsive metallogels based on squaramide complexes","Inorganic Chemistry Frontiers","2016","3","12","1597","","10.1039/C6QI00386A","","x-ray","1.54184","CuKα","","0.1054","0.098","","","0.3076","0.3134","","","","","","1.107","","","","has coordinates","234881","2020-10-21","18:00:00",""
"4349559","27.9361","0.0013","25.418","0.0014","6.0524","0.0003","90","","90","","90","","4297.7","0.4","293.15","","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H32 Cl Cu N12 O4 -","- C28 H32 Cl Cu N12 O4 -","- C112 H128 Cl4 Cu4 N48 O16 -","4","0.5","","Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong","Bromide anion-triggered visible responsive metallogels based on squaramide complexes","Inorganic Chemistry Frontiers","2016","3","12","1597","","10.1039/C6QI00386A","","x-ray","1.54184","CuKα","","0.1013","0.0924","","","0.263","0.2698","","","","","","1.055","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349565","13.6828","0.0004","19.9361","0.0006","25.5286","0.0008","90","","90","","90","","6963.7","0.4","180","0.1","180","0.1","","","","","","","no","7","P b c a","-P 2ac 2ab","61","2a","2a","","- C30 H38 B2 F8 Fe N6 O4 -","- C30 H38 B2 F8 Fe N6 O4 -","- C240 H304 B16 F64 Fe8 N48 O32 -","8","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0872","0.0531","","","0.1254","0.1486","","","","","","1.028","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349566","16.918","0.003","18.982","0.004","23.007","0.005","90","","90","","90","","7388","3","153.15","","153.15","","","","","","","","no","7","P b c a","-P 2ac 2ab","61","2b","2b","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0693","0.0663","","","0.1352","0.1365","","","","","","1.264","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349567","14.1084","0.0019","16.26","0.002","19.256","0.004","101.206","0.002","91.086","0.002","101.768","0.002","4234.2","1.2","296","2","296.15","","","","","","","","no","7","P -1","-P 1","2","3","3","","- C33 H44.5 F12 Fe N6.5 O4.5 P2 -","- C33 H44.5 F12 Fe N6.5 O4.5 P2 -","- C132 H178 F48 Fe4 N26 O18 P8 -","4","2","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.1146","0.0712","","","0.195","0.2314","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349568","23.3002","0.0004","13.24618","0.00016","24.306","0.0004","90","","114.454","0.002","90","","6828.8","0.2","179.99","0.1","179.99","0.1","","","","","","","no","6","P 1 2/c 1","-P 2yc","13","4-1","4-1","","- C78 H78 B2 Fe N6 O4 -","- C78 H78 B2 Fe N6 O4 -","- C312 H312 B8 Fe4 N24 O16 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","1.54184","CuKα","","0.0475","0.0379","","","0.0948","0.1002","","","","","","1.055","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349569","23.401","0.002","13.517","0.0013","24.582","0.002","90","","113.656","0.001","90","","7122.2","1.1","296","2","296.15","","","","","","","","no","6","P 1 2/c 1","-P 2yc","13","4-2","4-2","","- C78 H78 B2 Fe N6 O4 -","- C78 H78 B2 Fe N6 O4 -","- C312 H312 B8 Fe4 N24 O16 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0892","0.048","","","0.1146","0.1274","","","","","","1.009","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349570","15.386","0.003","10.7","0.002","16.934","0.003","90","","103.31","0.03","90","","2713","0.9","173.15","","173.15","","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","5","5","","- C22 H22 Cl2 Fe N6 O12 -","- C22 H22 Cl2 Fe N6 O12 -","- C88 H88 Cl8 Fe4 N24 O48 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0697","0.0585","","","0.1173","0.1227","","","","","","1.115","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4349571","15.5545","0.0011","10.6057","0.0008","17.027","0.0012","90","","103.986","0.001","90","","2725.6","0.3","296","2","296.15","","","","","","","","no","7","P 1 21/n 1","-P 2yn","14","6","6","","- C22 H22 B2 F8 Fe N6 O4 -","- C22 H22 B2 F8 Fe N6 O4 -","- C88 H88 B8 F32 Fe4 N24 O16 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0636","0.0552","","","0.165","0.1748","","","","","","1.044","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349572","15.352","0.003","10.908","0.002","20.708","0.004","90","","102.05","0.03","90","","3391.3","1.2","153.15","","153.15","","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","7-1","7-1","","- C24 H25 F12 Fe N7 O4 P2 -","- C24 H25 F12 Fe N7 O4 P2 -","- C96 H100 F48 Fe4 N28 O16 P8 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.1176","0.0879","","","0.2413","0.2731","","","","","","1.022","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349573","15.103","0.003","11.142","0.002","20.558","0.004","90","","102.33","0.002","90","","3379.7","1.1","296","2","296.15","","","","","","","","no","7","P 1 21/c 1","-P 2ybc","14","7-2","7-2","","- C24 H25 F12 Fe N7 O4 P2 -","- C24 H25 F12 Fe N7 O4 P2 -","- C96 H100 F48 Fe4 N28 O16 P8 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0789","0.0585","","","0.1666","0.1847","","","","","","1.042","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349574","17.4289","0.0004","17.4289","0.0004","37.4287","0.0013","90","","90","","90","","11369.6","0.5","100.01","0.15","100.01","0.15","","","","","","","no","6","I 41/a :2","-I 4ad","88","8-1","8-1","","- C35 H31 B Fe0.5 N3 O2 -","- C35 H31 B Fe0.5 N3 O2 -","- C560 H496 B16 Fe8 N48 O32 -","16","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0708","0.0437","","","0.0961","0.1124","","","","","","1.027","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349575","17.51122","0.00011","17.51122","0.00011","37.5872","0.0004","90","","90","","90","","11525.8","0.16","180.01","0.1","180.01","0.1","","","","","","","no","6","I 41/a :2","-I 4ad","88","8-2","8-2","","- C35 H31 B Fe0.5 N3 O2 -","- C35 H31 B Fe0.5 N3 O2 -","- C560 H496 B16 Fe8 N48 O32 -","16","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","1.54184","CuKα","","0.1447","0.1407","","","0.3442","0.3458","","","","","","1.095","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349576","17.6175","0.0003","17.6175","0.0003","37.7194","0.001","90","","90","","90","","11707.2","0.4","300","0.1","300","0.1","","","","","","","no","6","I 41/a :2","-I 4ad","88","8-3","8-3","","- C35 H31 B Fe0.5 N3 O2 -","- C35 H31 B Fe0.5 N3 O2 -","- C560 H496 B16 Fe8 N48 O32 -","16","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0666","0.0403","","","0.1021","0.1202","","","","","","1.036","","","","has coordinates","301840","2025-08-20","23:45:03",""
"4349577","13.693","0.0005","19.5154","0.0007","24.9934","0.0011","90","","92.184","0.004","90","","6674","0.5","120","2","120","2","","","","","","","none","7","P 1 21/c 1","-P 2ybc","14","1(BF4)","1(BF4)-LP","","- C60 H76 B4 F16 Fe2 N12 O8 -","- C60 H76 B4 F16 Fe2 N12 O8 -","- C240 H304 B16 F64 Fe8 N48 O32 -","4","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","1.54178","CuKα","","0.1298","0.1187","","","0.3433","0.3517","","","","","","1.086","","","","has coordinates,has disorder","301840","2025-08-20","23:45:03",""
"4500000","32.531","0.005","5.2697","0.0008","24.159","0.004","90","","98.191","0.003","90","","4099.3","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O7 -","- C24 H18 N2 O7.07 -","- C192 H144 N16 O56.56 -","8","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1857","0.1556","","","0.348","0.3607","","","","","","1.284","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500001","34.355","0.008","5.3795","0.0013","23.654","0.006","90","","93.952","0.006","90","","4361.2","1.8","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 N6 O16 -","- C47 H34 N6 O15.5 -","- C188 H136 N24 O62 -","4","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1197","0.0619","","","0.1477","0.1763","","","","","","0.991","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500002","5.2031","0.0009","14.741","0.002","17.882","0.003","90","","98.132","0.003","90","","1357.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0986","0.0533","","","0.1116","0.1268","","","","","","0.895","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500003","7.3985","0.0015","8.9054","0.0018","11.873","0.002","95.809","0.003","93.401","0.004","101.362","0.003","760.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1104","0.0768","","","0.2089","0.2669","","","","","","1.665","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500004","5.1206","0.0004","15.7136","0.0013","18.4986","0.0015","90","","96.546","0.001","90","","1478.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0634","0.0492","","","0.1279","0.1335","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500005","10.3335","0.0018","27.611","0.005","4.996","0.0009","90","","102.275","0.003","90","","1392.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O4 -","- C36 H28 N4 O4 -","- C72 H56 N8 O8 -","2","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0659","0.0545","","","0.1358","0.1427","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500006","18.388","0.004","12.682","0.003","16.429","0.003","90","","100.491","0.006","90","","3767.1","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 O10 -","- C44 H40 N4 O10 -","- C176 H160 N16 O40 -","4","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0667","0.0433","","","0.0861","0.0913","","","","","","0.889","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500007","9.1567","0.0012","10.1745","0.0013","10.5116","0.0014","72.85","0.002","70.288","0.002","67.269","0.002","834.91","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0678","0.0499","","","0.1137","0.1213","","","","","","0.964","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500008","5.1077","0.0011","16.057","0.003","17.752","0.004","73.711","0.003","89.35","0.003","88.636","0.003","1397.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","2","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0932","0.0766","","","0.1633","0.1806","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500009","7.3254","0.0019","8.889","0.002","12.208","0.003","94.84","0.005","94.926","0.005","100.048","0.005","775.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N4 O4 S2 -","- C34 H36 N4 O4 S2 -","- C34 H36 N4 O4 S2 -","1","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1176","0.0795","","","0.2173","0.2376","","","","","","1.166","","","","has coordinates,has disorder","301842","2025-08-21","00:37:07",""
"4500010","5.0961","0.0008","17.595","0.003","19.647","0.003","90","","90.917","0.003","90","","1761.4","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0803","0.0522","","","0.1037","0.1124","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500011","29.191","0.016","4.962","0.003","20.316","0.011","90","","92.105","0.008","90","","2941","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 N4 O4 -","- C38 H30 N4 O4 -","- C152 H120 N16 O16 -","4","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0424","0.0351","","","0.0898","0.0931","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500012","7.514","0.0011","10.4538","0.0015","12.6826","0.0018","83.642","0.002","85.697","0.002","75.411","0.002","957","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O4 S -","- C22 H17 N3 O4 S -","- C44 H34 N6 O8 S2 -","2","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0562","0.0458","","","0.1142","0.1204","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500084","13.0092","0.0008","11.8179","0.0004","17.1152","0.0009","90","","108.824","0.0019","90","","2490.6","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 B N7 O2 -","- C32 H16 B N7 O2 -","- C128 H64 B4 N28 O8 -","4","1","","Morse, Graham E.; Castrucci, Jeffery S.; Helander, Michael G.; Lu, Zheng-Hong; Bender, Timothy P.","Phthalimido-boronsubphthalocyanines: new derivatives of boronsubphthalocyanine with bipolar electrochemistry and functionality in OLEDs.","ACS applied materials & interfaces","2011","3","9","3538","3544","10.1021/am200758w","","","0.71073","MoKα","","0.1536","0.0623","","","0.1371","0.1768","","","","","","0.999","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500085","17.325","0.0006","8.147","0.0003","20.9925","0.0007","90","","100.815","0.002","90","","2910.39","0.18","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 B Cl3 N7 O2 -","- C33 H17 B Cl3 N7 O2 -","- C132 H68 B4 Cl12 N28 O8 -","4","1","","Morse, Graham E.; Castrucci, Jeffery S.; Helander, Michael G.; Lu, Zheng-Hong; Bender, Timothy P.","Phthalimido-boronsubphthalocyanines: new derivatives of boronsubphthalocyanine with bipolar electrochemistry and functionality in OLEDs.","ACS applied materials & interfaces","2011","3","9","3538","3544","10.1021/am200758w","","","0.71073","MoKα","","0.097","0.0574","","","0.1458","0.1744","","","","","","1.031","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500086","11.8635","0.0006","13.2132","0.0008","18.4565","0.001","90","","108.523","0.003","90","","2743.3","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H12 B Cl4 N7 O2 -","- C32 H12 B Cl4 N7 O2 -","- C128 H48 B4 Cl16 N28 O8 -","4","1","","Morse, Graham E.; Castrucci, Jeffery S.; Helander, Michael G.; Lu, Zheng-Hong; Bender, Timothy P.","Phthalimido-boronsubphthalocyanines: new derivatives of boronsubphthalocyanine with bipolar electrochemistry and functionality in OLEDs.","ACS applied materials & interfaces","2011","3","9","3538","3544","10.1021/am200758w","","","0.71073","MoKα","","0.1344","0.0639","","","0.1538","0.1903","","","","","","1.039","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4505636","7.2195","0.0017","12.224","0.003","28.17","0.006","90","","90","","90","","2486","1","213","1","213","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 F3 O6 -","- C26 H29 F3 O6 -","- C104 H116 F12 O24 -","4","1","","Velvadapu, Venkata; Glassford, Ian; Lee, Miseon; Paul, Tapas; Debrosse, Charles; Klepacki, Dorota; Small, Meagan C.; Mackerell, Jr, Alexander D; Andrade, Rodrigo B.","Desmethyl Macrolides: Synthesis and Evaluation of 4,10-Didesmethyl Telithromycin.","ACS medicinal chemistry letters","2012","3","3","211","215","10.1021/ml200254h","","","0.71073","MoKα","","0.0546","0.0429","","","0.0991","0.1101","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505637","7.3789","0.0002","12.7852","0.0003","32.0596","0.0008","90","","90","","90","","3024.53","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-O-Acetyl-4,6-benzylidene-1,5-N-(carbobenzyloxy) imino-2-tosylamino-1,2,5-trideoxy-D-glucitol","","","- C30 H32 N2 O8 S -","- C30 H32 N2 O8 S -","- C120 H128 N8 O32 S4 -","4","1","","Yamaguchi, Takao; Blázquez, Blas; Hesek, Dusan; Lee, Mijoon; Llarrull, Leticia I.; Boggess, Bill; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Inhibitors for Bacterial Cell-Wall Recycling.","ACS medicinal chemistry letters","2012","3","3","238","242","10.1021/ml2002746","","","1.54178","CuKα","","0.0953","0.0546","","","0.1353","0.1673","","","","","","1.034","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505638","11.8931","0.0001","11.8931","0.0001","11.8931","0.0001","90","","90","","90","","1682.23","0.02","293","2","293","2","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C24 H24 Cd5 Cl K0 Na3 O24 Zn0 -","- C4 H4 Cd0.833333 Cl0.166667 Na0.5 O4 -","- C48 H48 Cd10 Cl2 Na6 O48 -","12","0.5","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters","Crystal Growth & Design","2003","3","1","47","","10.1021/cg0200309","","","0.71073","MoKα","","0.0205","0.018","","0.0467","0.0448","","","","1.229","1.23","1.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505639","11.8526","0.0001","11.8526","0.0001","11.8526","0.0001","90","","90","","90","","1665.1","0.02","293","2","293","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C24 H24 Br Cd5 Na3 O24 -","- C4 H4 Br0.166667 Cd0.833333 Na0.5 O4 -","- C48 H48 Br2 Cd10 Na6 O48 -","12","0.5","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters","Crystal Growth & Design","2003","3","1","47","","10.1021/cg0200309","","","0.71073","MoKα","","0.0543","0.0543","","0.1391","0.1391","","","","1.186","1.186","1.186","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505640","10.278","0.005","25.507","0.005","17.398","0.005","90","0.005","99.581","0.005","90","0.005","4497","3","293","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 Cu2 Mo N16 O10.5 -","- C28 H54 Cu2 Mo N16 O10.5 -","- C112 H216 Cu8 Mo4 N64 O42 -","4","1","","Larionova, Joulia; Clérac, Rodolphe; Donnadieu, Bruno; Willemin, Stephanie; Guérin, Christian","Synthesis and Structure of a Two-Dimensional Cyano-Bridged Coordination Polymer [Cu(cyclam)]2[Mo(CN)8]·10.5H2O (Cyclam = 1,4,8,11-Tetraazacyclodecane)","Crystal Growth & Design","2003","3","2","267","","10.1021/cg020048j","","","0.71073","MoKα","","0.1233","0.0938","","","0.2391","0.2613","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505641","9.271","0.0019","3.811","0.0008","23.632","0.005","90","","100.15","0.03","90","","821.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C40 H24 N8 O4 -","4","1","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.1433","0.0467","","","0.1044","0.1338","","","","","","0.984","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505642","14.7555","0.0017","5.2827","0.0006","18.856","0.002","90","","111.445","0.002","90","","1368","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.0613","0.0529","","","0.1209","0.1243","","","","","","1.493","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505643","4.836","0.001","13.042","0.003","32.438","0.007","90","","92.94","0.03","90","","2043.2","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C88 H64 N16 O16 -","8","2","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.3034","0.0672","","","0.1527","0.2358","","","","","","0.908","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505644","9.199","0.0018","13.98","0.003","16.125","0.003","90","","100.09","0.03","90","","2041.6","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C88 H64 N16 O16 -","8","2","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.1337","0.0624","","","0.1501","0.184","","","","","","1.14","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505645","5.0785","0.0004","6.1923","0.0005","5.3869","0.0005","90","","113.346","0.003","90","","155.54","0.02","150","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Ferrari, Elena S.; Davey, Roger J.; Cross, Wendy I.; Gillon, Amy L.; Towler, Christopher S.","Crystallization in Polymorphic Systems: The Solution-Mediated Transformation of β to α Glycine","Crystal Growth & Design","2003","3","1","53","","10.1021/cg025561b","","x-ray","0.71073","MoKα","","0.0469","0.0409","","","0.1001","0.1028","","","","","","1.015","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505646","10.076","0.002","11.782","0.001","10.599","0.002","90","","114.99","0.01","90","","1140.5","0.3","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","2","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.032","","","","","","3.13","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505647","21.3075","0.0009","5.7687","0.0008","10.172","0.0008","90","","111.954","0.004","90","","1159.64","0.19","296.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.03","","","","","","3.39","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505648","5.6823","0.0007","25.2337","0.0006","8.7846","0.0008","90","","92.939","0.01","90","","1257.9","0.2","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.042","","","","","","5.7","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505649","14.9","0.002","5.743","0.001","15.803","0.001","90","","115.555","0.006","90","","1220","0.3","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.0822","","","","","","4.538","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505650","8.554","0.003","24.382","0.003","5.903","0.002","90","","90","","90","","1231.2","0.6","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.032","","","","","","2","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505651","20.817","0.003","5.835","0.003","11.104","0.002","90","","113.83","0.01","90","","1233.8","0.7","296.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.031","","","","","","2.01","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505652","2.7603","0.0001","2.7603","0.0001","4.3275","0.0006","90","","90","","120","","28.555","0.004","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu0.68 Ge0.02 Sn0.3 -","- Cu0.44 Ge0 Sn0.569 -","- Cu0.88 Ge0 Sn1.138 -","2","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.0321","0.0305","","","0.0762","0.0797","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505653","2.9491","0.0006","2.9491","0.0006","4.7734","0.0014","90","","90","","120","","35.953","0.015","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag0.72 Ge0.02 Sn0.26 -","- Ag0.7 Sn0.3 -","- Ag1.4 Sn0.6 -","2","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.0204","0.0204","","","0.0487","0.0487","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505654","10.4959","0.0006","10.4959","0.0006","10.4959","0.0006","90","","90","","90","","1156.27","0.11","93","2","93","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- Ge H3 N O8 Sn6 -","- Ge H3 N O8 Sn6 -","- Ge4 H12 N4 O32 Sn24 -","4","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.055","0.0535","","","0.1291","0.1299","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505655","10.1756","0.0011","5.7319","0.0006","10.034","0.001","90","","98.042","0.007","90","","579.48","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinamide : form I","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0494","0.0395","","","0.0986","0.1042","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505656","15.735","0.003","7.9976","0.0018","9.885","0.003","90","","105.586","0.017","90","","1198.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinamide : form II","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0528","0.0437","","","0.1185","0.1252","","","","","","1.087","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505657","20.445","0.004","5.2309","0.0009","23.008","0.004","90","","96.981","0.003","90","","2442.4","0.8","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-hexenoic acid : isonicotinamide","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.1129","0.0736","","","0.1794","0.1969","","","","","","0.914","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505658","20.512","0.004","5.1675","0.001","23.694","0.005","90","","90.66","0.03","90","","2511.3","0.9","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","isonicotinamide : 4-nitrobenzoic acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C104 H88 N24 O40 -","8","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0678","0.0432","","","0.1097","0.12","","","","","","0.978","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505659","7.7628","0.0011","8.7216","0.0012","15.7426","0.0019","93.483","0.002","98.981","0.003","93.913","0.002","1047.6","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid : isonicotinamide : 4-toluic acid","","- C21 H18 N4 O9 -","- C21 H18 N4 O9 -","- C42 H36 N8 O18 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0839","0.0433","","","0.1052","0.1209","","","","","","0.883","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505660","11.786","0.003","5.1614","0.0013","19.975","0.005","90","","95.275","0.005","90","","1210","0.5","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-nitropyrimidine : 2-amino-3-nitropyridine","","- C9 H9 N7 O4 -","- C9 H9 N7 O4 -","- C36 H36 N28 O16 -","4","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.1112","0.0555","","","0.1433","0.189","","","","","","0.966","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505661","7.2458","0.0011","8.626","0.0013","13.2806","0.0019","92.566","0.003","101.875","0.003","109.472","0.003","760","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","4-Chlorobenzamide : 3,5-Dinitrobenzoic acid","","- C14 H10 Cl N3 O7 -","- C14 H10 Cl N3 O7 -","- C28 H20 Cl2 N6 O14 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0724","0.0452","","","0.1021","0.1141","","","","","","0.934","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505662","7.1732","0.0013","8.3689","0.0017","12.997","0.003","88.638","0.004","80.875","0.004","77.463","0.004","751.9","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","4-Chlorobenzamide : 3-Dimethylaminobenzoic acid","","- C16 H17 Cl N2 O3 -","- C16 H17 Cl N2 O3 -","- C32 H34 Cl2 N4 O6 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.1014","0.0545","","","0.1277","0.1513","","","","","","0.911","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505663","9.2674","0.0008","10.1386","0.0009","10.4805","0.001","86.428","0.006","72.174","0.006","89.506","0.007","935.58","0.15","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","2(4-Chlorobenzamide) : Fumaric acid","","- C18 H16 Cl2 N2 O6 -","- C18 H16 Cl2 N2 O6 -","- C36 H32 Cl4 N4 O12 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0546","0.0389","","","0.1003","0.1082","","","","","","0.958","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505664","8.2623","0.0018","8.3431","0.0017","12.144","0.003","76.523","0.004","83.988","0.004","73.782","0.004","781","0.3","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O2 -","- C17 H16 Cl N3 O2 -","- C34 H32 Cl2 N6 O4 -","2","1","","Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.","Maize 1: A Trimorphic Azo Pigment","Crystal Growth & Design","2003","3","6","1021","","10.1021/cg025610k","","","0.71073","MoKα","","0.0623","0.042","","","0.1149","0.1256","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505665","7.953","0.003","11.194","0.004","18.708","0.007","72.621","0.006","86.105","0.006","89.93","0.006","1585.5","1","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O2 -","- C17 H16 Cl N3 O2 -","- C68 H64 Cl4 N12 O8 -","4","2","","Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.","Maize 1: A Trimorphic Azo Pigment","Crystal Growth & Design","2003","3","6","1021","","10.1021/cg025610k","","","0.71073","MoKα","","0.0515","0.0374","","","0.088","0.094","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505666","8.338","0.003","14.312","0.005","14.95","0.005","106.184","0.005","102.148","0.006","100.392","0.006","1619.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O2 -","- C17 H16 Cl N3 O2 -","- C68 H64 Cl4 N12 O8 -","4","2","","Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.","Maize 1: A Trimorphic Azo Pigment","Crystal Growth & Design","2003","3","6","1021","","10.1021/cg025610k","","","0.71073","MoKα","","0.0848","0.0632","","","0.1857","0.2016","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505667","7.1475","0.0002","28.7276","0.001","10.7856","0.0004","90","","93.829","0.002","90","","2209.67","0.13","150","1","150","1","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(acetonitrile) silver(I) cobalt(III) bis(dicarbollide)","","- C8 H26 Ag B18 Co N2 -","- C8 H28 Ag B18 Co N2 -","- C32 H112 Ag4 B72 Co4 N8 -","4","1","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.71073","MoKα","","0.0542","0.0404","","","0.0883","0.0934","","","","","","1.04","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505668","20.8368","0.0002","14.8687","0.0002","10.8352","0.0001","90","","99.651","0.004","90","","3309.41","0.07","150","1","150","1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","acetonitrile-aquo-cyclotriveratrylene-silver(I) cobalt(III) bis(dicarbollide) cyclotriveratrylene","","- C60 H87 Ag B18 Co N O13 -","- C60 H82 Ag B18 Co N O13 -","- C120 H164 Ag2 B36 Co2 N2 O26 -","2","0.25","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.71069","MoKα","","0.114","0.1089","","","0.2708","0.2763","","","","","","1.149","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505669","13.0734","0.0001","13.72","0.0002","15.2873","0.0002","81.817","0.001","80.249","0.001","68.822","0.001","2510.07","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tris(acetonitrile)cyclotriveratrylenesilver(I) cobalt(III) bis(dicarbollide) acetonitrile clathrate","","- C38 H62.5 Ag B18 Co N3.5 O6 -","- C38 H61 Ag B18 Co N3.5 O6 -","- C76 H122 Ag2 B36 Co2 N7 O12 -","2","1","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.7107","MoKα","","0.0519","0.0405","","","0.1104","0.1181","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505670","12.3042","0.0001","12.9172","0.0001","17.4093","0.0002","75.765","0.001","85.195","0.001","85.813","0.001","2668.64","0.04","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","tetra(acetonitrile) silver(I) cobalt(III) bis(dicarbollide) cyclotriveratrylene acetonitrile clathrate","","- C39.5 H64.75 Ag B18 Co N4.25 O6 -","- C39.5 H64 Ag B18 Co N4.25 O6 -","- C79 H128 Ag2 B36 Co2 N8.5 O12 -","2","1","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.71073","MoKα","","0.0891","0.0529","","","0.142","0.1609","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505671","17.4002","0.0013","11.1573","0.0007","17.4202","0.0013","90","","113.479","0.005","90","","3101.9","0.4","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H18 Ag F3 N4 O8 S -","- C32 H18 Ag F3 N4 O8 S -","- C128 H72 Ag4 F12 N16 O32 S4 -","4","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.052","0.0394","","","0.0763","0.0799","","","","","","1.034","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505672","25.5147","0.0008","15.7026","0.0006","28.2414","0.0009","90","","113.896","0.002","90","","10345","0.6","218","2","218","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H75 Ag3 B3 F12 N9 O14 -","- C105 H75 Ag3 B3 F12 N9 O14 -","- C420 H300 Ag12 B12 F48 N36 O56 -","4","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.1273","0.0776","","","0.1995","0.2353","","","","","","1.053","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505673","8.1274","0.0002","15.7754","0.0006","14.0542","0.0005","90","","103.267","0.002","90","","1753.84","0.1","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H27 Ag F6 N3 O5 P -","- C36 H27 Ag F6 N3 O5 P -","- C72 H54 Ag2 F12 N6 O10 P2 -","2","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.1072","0.07","","","0.1703","0.1988","","","","","","1.059","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505674","9.8102","0.0014","10.0076","0.0013","12.8246","0.0014","103.151","0.008","97.03","0.009","98.851","0.01","1195.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(35DBP)2Cu10Br22","Bis(3,5-dibromopyridinium)duoeicosobromodecacuprate(II)","","- C5 H4 Br13 Cu5 N -","- C5 H4 Br13 Cu5 N -","- C10 H8 Br26 Cu10 N2 -","2","1","","Haddad, Salim; Awwadi, Firas; Willett, Roger D.","A Planar Bibridged Cu10Br222-Oligomer: Dimensional Reduction and Recombination of the CuBr2Lattice via the N−H···Br-and the C−Br···Br-Synthons","Crystal Growth & Design","2003","3","4","501","","10.1021/cg030009n","","","0.71073","MoKα","","0.1307","0.0577","","","0.1235","0.1547","","","","","","0.963","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505675","17.1533","0.0006","24.0768","0.0009","23.5407","0.0009","90","","102.194","0.001","90","","9502.9","0.6","90","2","90","2","","","","","","","","5","P 1 n 1","P -2yac","7","C60^.^μ-O[Fe(OEP)]~2~^.^benzene","","","- C138 H94 Fe2 N8 O -","- C138 H94 Fe2 N8 O -","- C552 H376 Fe8 N32 O4 -","4","2","","Lee, Hon Man; Olmstead, Marilyn M.; Gross, Garrett G.; Balch, Alan L.","Cocrystallization of Binuclear Iron(III) Porphyrins with C60: Bending of μ-O{FeIII(Octaethylporphyrin)} and the First Structure of the Iron(III) Octaethyloxophlorin Dimer","Crystal Growth & Design","2003","3","5","691","","10.1021/cg030013z","","","0.71073","MoKα","","0.0819","0.0541","","","0.1139","0.1258","","","","","","1.007","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505676","13.9535","0.0014","14.3027","0.0014","18.0856","0.0018","89.645","0.002","73.061","0.002","78.488","0.002","3378.1","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","2C60^.^{Fe(OEPO)}~2~^.^4benzene","","","- C216 H110 Fe2 N8 O2 -","- C216 H110 Fe2 N8 O2 -","- C216 H110 Fe2 N8 O2 -","1","0.5","","Lee, Hon Man; Olmstead, Marilyn M.; Gross, Garrett G.; Balch, Alan L.","Cocrystallization of Binuclear Iron(III) Porphyrins with C60: Bending of μ-O{FeIII(Octaethylporphyrin)} and the First Structure of the Iron(III) Octaethyloxophlorin Dimer","Crystal Growth & Design","2003","3","5","691","","10.1021/cg030013z","","","0.71073","MoKα","","0.1439","0.0624","","","0.1341","0.159","","","","","","0.853","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505677","24.665","0.003","24.665","0.003","30.702","0.004","90","","90","","120","","16176","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-cobalt(II), clathrate with Chloroform (1:4.84)","","- C106.84 H82.84 Cl14.53 Co3 N6 O12 -","- C106.838 H82.838 Cl14.514 Co3 N6 O12 -","- C641.028 H497.028 Cl87.084 Co18 N36 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.1027","0.0573","","","0.1505","0.1703","","","","","","0.984","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505678","24.613","0.003","24.613","0.003","30.349","0.004","90","","90","","120","","15922","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-cobalt(II), clathrate with Chloroform (1:4.11)","","- C106.1 H82.1 Cl12.29 Co3 N6 O12 -","- C106.096 H82.096 Cl12.288 Co3 N6 O12 -","- C636.576 H492.576 Cl73.728 Co18 N36 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.136","0.08","","","0.2021","0.2338","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505679","12.02","0.002","3.8803","0.0006","38.285","0.006","90","","97.7","0.01","90","","1769.6","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-Bis(3-phenyl-1,3-propanedion)benzene, stable form","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.0813","0.0732","","","0.1772","0.182","","","","","","1.113","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505680","10.161","0.002","7.453","0.001","12.178","0.002","90","","103.79","0.01","90","","895.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(3-phenyl-1,3-propanedion)benzene, stable form","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.0453","0.0404","","","0.1197","0.124","","","","","","1.062","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505681","24.64","0.004","24.64","0.004","30.549","0.005","90","","90","","120","","16062","5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-nickel(II), clathrate with Chloroform (1:4.68)","","- C106.68 H82.68 Cl14.04 N6 Ni3 O12 -","- C106.678 H82.678 Cl14.034 N6 Ni3 O12 -","- C640.068 H496.068 Cl84.204 N36 Ni18 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.1304","0.0581","","","0.1353","0.1562","","","","","","0.871","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505682","7.136","0.0005","8.9258","0.0007","10.2314","0.0007","95.699","0.005","108.631","0.005","91.813","0.006","613.09","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","1","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0311","0.0246","","","0.0609","0.0622","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505683","19.293","0.004","9.546","0.0019","15.771","0.003","90","","121.774","0.006","90","","2469.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 F4 I2 N2 -","- C28 H12 F4 I2 N2 -","- C112 H48 F16 I8 N8 -","4","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.053","0.0492","","","0.0861","0.0869","","","","","","1.112","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505684","3.816","0.002","25.504","0.013","7.767","0.004","90","","93.988","0.009","90","","754.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C44 H24 N4 -","2","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.1033","0.0856","","","0.1345","0.142","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505685","7.362","0.001","19.278","0.004","4.2134","0.0005","94.07","0.01","98.13","0.01","97.22","0.01","584.88","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","1","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0693","0.0599","","","0.1514","0.1555","","","","","","1.205","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505686","4.023","0.002","7.54","0.004","20.239","0.011","80.96","0.03","85.29","0.03","84","0.03","601.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F4 I2 N2 -","- C28 H12 F4 I2 N2 -","- C28 H12 F4 I2 N2 -","1","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.1633","0.1471","","","0.2818","0.2916","","","","","","1.19","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505687","18.7594","0.0005","7.2538","0.0011","12.0581","0.0009","90","","101.771","0.001","90","","1606.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 F8 I2 N4 -","- C32 H16 F8 I2 N4 -","- C64 H32 F16 I4 N8 -","2","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0801","0.0469","","","0.1076","0.126","","","","","","1.188","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505688","7.479","0.002","11.186","0.002","17.454","0.004","81.88","0.014","87.58","0.02","79.74","0.012","1422.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H8 F8 I4 N2 -","- C26 H8 F8 I4 N2 -","- C52 H16 F16 I8 N4 -","2","1","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0812","0.0671","","","0.1362","0.1454","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505689","7.403","0.001","17.561","0.001","10.275","0.001","90","","107.201","0.004","90","","1276","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H10 Co0.5 N5 S -","- C13 H10 Co0.5 N5 S -","- C52 H40 Co2 N20 S4 -","4","0.5","","Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun","Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings","Crystal Growth & Design","2003","3","4","507","","10.1021/cg034010y","","","0.71073","MoKα","","0.1121","0.0513","","","0.1415","0.1829","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505690","17.868","0.001","18.614","0.001","7.794","0.001","90","","90","","90","","2592.2","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C13 H10 Co0.5 N5 S -","- C13 H10 Co0.5 N5 S -","- C104 H80 Co4 N40 S8 -","8","","","Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun","Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings","Crystal Growth & Design","2003","3","4","507","","10.1021/cg034010y","","","0.71073","MoKα","","0.1058","0.043","","","0.1143","0.1798","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505691","11.123","0.001","9.217","0.001","12.868","0.001","90","","95.967","0.002","90","","1312.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Co0.5 N6 S -","- C12 H9 Co0.5 N6 S -","- C48 H36 Co2 N24 S4 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun","Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings","Crystal Growth & Design","2003","3","4","507","","10.1021/cg034010y","","","0.71073","MoKα","","0.0617","0.0368","","","0.1016","0.1404","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505692","15.025","0.0002","13.434","0.0003","6.742","0.0005","90","","97.575","0.0011","90","","1348.97","0.11","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag N5 O3 -","- C12 H10 Ag N5 O3 -","- C48 H40 Ag4 N20 O12 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0372","0.026","","","0.0578","0.0623","","","","","","1.008","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505693","8.273","0.0002","9.115","0.0002","23.483","0.0007","90","","92.115","0.0009","90","","1769.61","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Ag Cl N4 O5 -","- C15 H18 Ag Cl N4 O5 -","- C60 H72 Ag4 Cl4 N16 O20 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0684","0.0517","","","0.1287","0.1355","","","","","","1.071","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505694","13.689","0.0001","15.624","0.0001","22.147","0.0002","90","","90","","90","","4736.73","0.06","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Ag2 B2 F8 N8 O2 -","- C43 H52 Ag2 B2 F8 N8 O2 -","- C172 H208 Ag8 B8 F32 N32 O8 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0264","0.0227","","","0.0554","0.0574","","","","","","0.982","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505695","11.474","0.0001","15.117","0.0002","33.857","0.0005","90","","90","","90","","5872.58","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H34 Ag2 Cl2 N6 O8 -","- C22 H34 Ag2 Cl2 N6 O8 -","- C176 H272 Ag16 Cl16 N48 O64 -","8","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0435","0.0299","","","0.066","0.0712","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505696","20.361","0.0005","12.998","0.0004","15.501","0.0007","90","","98.549","0.0014","90","","4056.8","0.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Ag1.5 Cl1.5 N4 O6 -","- C17 H20 Ag1.5 Cl1.5 N4 O6 -","- C136 H160 Ag12 Cl12 N32 O48 -","8","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.1142","0.0742","","","0.1563","0.1793","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505697","10.595","0.0003","10.595","0.0003","18.558","0.0004","90","","90","","90","","2083.21","0.09","110","2","110","2","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C19 H21.5 Ag0.5 F3 N4.5 P0.5 -","- C19.5 H20 Ag0.5 F3 N4 P0.5 -","- C78 H80 Ag2 F12 N16 P2 -","4","0.5","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0659","0.0429","","","0.1097","0.1221","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505698","24.094","0.0003","18.061","0.0002","17.902","0.0003","90","","119.257","0.0007","90","","6796.5","0.17","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H60 Ag3 Cl3 N14 O12 -","- C70 H60 Ag3 Cl3 N14 O12 -","- C280 H240 Ag12 Cl12 N56 O48 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0525","0.0394","","","0.0866","0.094","","","","","","1.008","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505699","11.453","0.0003","11.453","0.0003","49.674","0.0013","90","","90","","90","","6515.8","0.3","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C68 H48 Ag Cl N12 O4 -","- C68 H48 Ag Cl N12 O5 -","- C272 H192 Ag4 Cl4 N48 O20 -","4","0.25","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0939","0.0657","","","0.1884","0.2163","","","","","","0.868","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505700","26.311","0.0005","9.331","0.0002","11.778","0.0003","90","","115.072","0.0009","90","","2619.13","0.1","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 -","- C34 H24 N6 -","- C136 H96 N24 -","4","0.5","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0613","0.0428","","","0.1095","0.1207","","","","","","1.009","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505701","29.977","0.007","10.782","0.001","19.184","0.003","90","","92.81","0.02","90","","6193","1.8","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-bis(9-hydroxy-9-fluorenyl)biphenyl, chloroform","","- C39 H27 Cl3 O2 -","- C39 H27 Cl3 O2 -","- C312 H216 Cl24 O16 -","8","1","","Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M.","Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest","Crystal Growth & Design","2003","3","4","541","","10.1021/cg034013a","","","1.5418","CuKα","","0.1316","0.0725","","","0.1852","0.2067","","","","","","1.031","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505702","29.741","0.006","13.62","0.002","18.123","0.003","90","","107.05","0.01","90","","7018","2","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'bis(9-hydroxy-9-fluorenyl)biphenyl, 2 chloroform","","- C40 H28 Cl6 O2 -","- C40 H28 Cl6 O2 -","- C320 H224 Cl48 O16 -","8","1","","Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M.","Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest","Crystal Growth & Design","2003","3","4","541","","10.1021/cg034013a","","","1.5418","CuKα","","0.1284","0.0748","","","0.2005","0.2201","","","","","","1.089","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505703","8.457","0.001","17.225","0.001","9.69","0.001","90","","112.22","0.01","90","","1306.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.5 H9.5 Er O9.5 -","- C6 H15 Er O12 -","- C24 H60 Er4 O48 -","4","1","","Michaelides, Adonis; Skoulika, Stavroula; Bakalbassis, Evangelos G.; Mrozinski, Jerzy","Cyclic Water Hexamers and Decamers in a Porous Lanthanide−Organic Framework: Correlation between Some Physical Properties and Crystal Structure","Crystal Growth & Design","2003","3","4","487","","10.1021/cg034025w","","","0.71073","MoKα","","0.0376","0.0314","","","0.1043","0.1159","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505704","9.845","0.0013","24.574","0.003","4.0392","0.0005","90","","94.412","0.01","90","","974.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 Cl N6 O3 -","- C6 H9 Cl N6 O3 -","- C24 H36 Cl4 N24 O12 -","4","1","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71073","MoKα","","0.1005","0.0604","","","0.1571","0.1638","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505705","12.6615","0.0017","10.93","0.002","9.8978","0.0019","63.737","0.014","98.955","0.013","113.111","0.012","1129.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl2 N6 O5 -","- C24 H16 Cl2 N6 O5 -","- C48 H32 Cl4 N12 O10 -","2","1","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71073","MoKα","","0.0599","0.0434","","","0.1269","0.1314","","","","","","1.012","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505706","8.987","0.002","8.997","0.002","22.177","0.002","95.714","0.013","91.701","0.014","90.42","0.02","1783.4","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Fe N6 O10 -","- C36 H34 Cl2 Fe N6 O10 -","- C72 H68 Cl4 Fe2 N12 O20 -","2","1","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71069","MoKα","","0.1145","0.0558","","","0.1266","0.132","","","","","","0.972","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505707","13.2793","0.0045","13.5889","0.0034","9.2486","0.0026","90","","118.691","0.019","90","","1464","0.8","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H6 Cl2 O4 S4 -","- C12 H6 Cl2 O4 S4 -","- C48 H24 Cl8 O16 S16 -","4","0.5","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71069","MoKα","","0.0837","0.0365","","","0.082","0.0931","","","","","","1.11","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505708","17.1641","0.0002","17.1641","0.0002","7.2676","0.0001","90","","90","","90","","2141.08","0.05","226","","226","","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","Tetrakis(3-hydroxyphenyl)silane","","","- C24 H20 O4 Si -","- C24 H20 O4 Si -","- C96 H80 O16 Si4 -","4","0.25","","Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D.","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Crystal Growth & Design","2003","3","4","535","","10.1021/cg034043d","","","1.5418","CuKα","","0.0446","0.0445","","","0.1319","0.1321","","","","","","1.157","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505709","10.243","0.004","15.673","0.006","15.412","0.008","90","","100.86","0.04","90","","2429.9","1.9","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","Tetrakis(4-hydroxyphenyl)methane - ethyl acetate clathrate","","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D.","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Crystal Growth & Design","2003","3","4","535","","10.1021/cg034043d","","","1.54178","CuKα","","0.0715","0.0584","","","0.174","0.1835","","","","","","1.117","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4505710","14.962","0.009","15.855","0.011","19.697","0.013","90","","111.49","0.05","90","","4348","5","210","2","210","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","tetrakis(4-hydroxyphenyl)silane - water clathrate","","","- C24 H22 O5 Si -","- C24 H22 O5 Si -","- C192 H176 O40 Si8 -","8","1","","Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D.","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Crystal Growth & Design","2003","3","4","535","","10.1021/cg034043d","","","1.54178","CuKα","","0.121","0.0784","","","0.1879","0.2049","","","","","","1.064","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505711","37.165","0.003","5.0701","0.0004","23.508","0.002","90","","101.754","0.002","90","","4336.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 N2 O4 -","- C44 H72 N2 O4 -","- C176 H288 N8 O16 -","4","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.177","0.0831","","","0.1409","0.1729","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505712","13.5437","0.0003","10.0983","0.0002","15.0488","0.0001","90","","93.253","0.001","90","","2054.88","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 N2 O4 -","- C44 H64 N2 O4 -","- C88 H128 N4 O8 -","2","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1022","0.0609","","","0.1647","0.1891","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505713","21.1142","0.0011","13.4289","0.0007","16.6656","0.0009","90","","95.151","0.001","90","","4706.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H70 N2 O4 -","- C51 H70 N2 O4 -","- C204 H280 N8 O16 -","4","1","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.227","0.1034","","","0.3045","0.3756","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505714","6.1229","0.0005","13.001","0.001","29.596","0.002","90","","92.197","0.001","90","","2354.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 N2 O4 -","- C52 H72 N2 O4 -","- C104 H144 N4 O8 -","2","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1322","0.0818","","","0.1541","0.1758","","","","","","1.134","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505715","7.9247","0.0005","10.2438","0.0007","16.805","0.001","103.332","0.002","93.4","0.002","108.454","0.002","1246.19","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H76 N2 O4 -","- C54 H76 N2 O4 -","- C54 H76 N2 O4 -","1","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1867","0.1188","","","0.2247","0.2591","","","","","","1.152","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505716","22.47","0.002","9.0645","0.0008","19.9526","0.0018","90","","123.935","0.002","90","","3371.7","0.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C168 H144 N8 O16 -","4","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1067","0.0573","","","0.1511","0.1724","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505717","11.0067","0.0001","11.8485","0.0001","19.9299","0.0002","90","","94.444","0.001","90","","2591.3","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane","","- C27 H30 N3 O6 -","- C27 H30 N3 O6 -","- C108 H120 N12 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","1.54178","CuKα","","0.1023","0.0866","","","0.2522","0.2753","","","","","","1.095","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505718","8.2623","0.0006","8.2625","0.0007","37.064","0.003","90","","90","","90","","2530.3","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,4-bis(2-(4-pyridyl)ethyl)benzene","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C116 H128 N8 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","0.71073","MoKα","","0.0585","0.0503","","","0.1073","0.1148","","","","","","1.162","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505719","12.43","0.003","5.0616","0.001","22.779","0.005","90","","90.41","0.03","90","","1433.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-Cyclohexane tricarboxylate - 1,4-bis(4-pyridinium)ethylene","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","0.71073","MoKα","","0.1195","0.0565","","","0.1088","0.1411","","","","","","1.09","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505720","4.7854","0.001","14.251","0.003","24.648","0.005","90","","95.48","0.03","90","","1673.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-cyclohexanetricarboxylate - 1,4-bis(2-(4-pyridinium)ethenyl)benzene","","- C19 H20 N O6 -","- C19 H20 N O6 -","- C76 H80 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","0.71073","MoKα","","0.1288","0.0493","","","0.0925","0.126","","","","","","1.061","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505721","8.0056","0.0009","10.0879","0.0012","28.566","0.002","90.016","0.009","91.989","0.008","90.023","0.009","2305.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Fe0.5 N O3 -","- C26 H30 Fe0.5 N O3 -","- C104 H120 Fe2 N4 O12 -","4","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0625","0.0428","","","0.1045","0.1161","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505722","10.6119","0.0008","16.01","0.002","16.438","0.002","64.011","0.012","76.227","0.008","74.387","0.008","2394.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 Fe N2 O6 -","- C54 H64 Fe N2 O6 -","- C108 H128 Fe2 N4 O12 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.1371","0.0574","","","0.1174","0.1429","","","","","","1.002","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505723","10.512","0.0011","10.6129","0.0013","11.9898","0.0017","99.491","0.011","104.692","0.01","92.19","0.009","1271.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Fe N2 O4 -","- C32 H26 Fe N2 O4 -","- C64 H52 Fe2 N4 O8 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0939","0.0528","","","0.1197","0.1365","","","","","","1.051","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505724","9.4041","0.0018","9.801","0.003","16.376","0.005","91.8","0.02","102.506","0.019","106.834","0.019","1403.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Fe N2 O6 -","- C32 H26 Fe N2 O6 -","- C64 H52 Fe2 N4 O12 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71069","MoKα","","0.1374","0.0753","","","0.1881","0.2267","","","","","","1.066","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505725","9.4294","0.0005","11.1365","0.0005","14.5979","0.0008","71.618","0.003","76.482","0.003","82.086","0.003","1411.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Fe N2 O4 -","- C34 H30 Fe N2 O4 -","- C68 H60 Fe2 N4 O8 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.079","0.0546","","0.1493","0.1334","","","","1.073","1.119","1.119","","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505726","9.396","0.001","10.246","0.001","16.126","0.001","99.329","0.004","101.505","0.005","106.72","0.005","1416.6","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C68 H64 Fe2 N4 O10 -","- C68 H62 Fe2 N4 O10 -","- C68 H62 Fe2 N4 O10 -","1","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0962","0.078","","","0.1816","0.1975","","","","","","1.075","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505727","10.238","","10.514","","14.621","0.001","76.225","0.002","85.982","0.002","63.954","0.002","1372.26","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Fe N2 O4 -","- C34 H30 Fe N2 O4 -","- C68 H60 Fe2 N4 O8 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0617","0.0456","","0.1568","0.1298","","","","1.168","1.066","1.066","","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505728","27.972","0.001","19.622","0.001","17.275","0.001","90","","112.206","0.002","90","","8778.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H88 Fe3 N6 O16 -","- C98 H88 Fe3 N6 O16 -","- C392 H352 Fe12 N24 O64 -","4","0.5","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.147","0.0475","","","0.0782","0.0959","","","","","","0.827","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505729","14.9113","0.0001","6.034","0.0001","20.8815","0.0003","90","","110.365","0.001","90","","1761.37","0.04","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C56 H40 N24 O48 -","8","2","","Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas","Polymorphism in 2-4-6 Trinitrotoluene","Crystal Growth & Design","2003","3","6","1027","","10.1021/cg0340704","","","0.71073","MoKα","","0.0517","0.0353","","","0.0854","0.092","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505730","14.91","0.002","6.0341","0.0018","19.68","0.004","90","","90","","90","","1770.6","0.7","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C56 H40 N24 O48 -","8","2","","Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas","Polymorphism in 2-4-6 Trinitrotoluene","Crystal Growth & Design","2003","3","6","1027","","10.1021/cg0340704","","","0.71069","MoKα","","0.0459","0.0309","","","0.0784","0.0842","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505731","26.021","0.0004","25.774","0.0004","8.346","0.0001","90","","98.301","0.0008","90","","5538.73","0.14","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H43 K4 N5 O15 Pd -","- C48 H36 K4 N4 O14 Pd -","- C192 H144 K16 N16 O56 Pd4 -","4","0.5","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0453","0.036","","","0.0902","0.0944","","","","","","1.058","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505732","26.161","0.0006","25.768","0.0006","8.332","0.0001","90","","97.593","0.0015","90","","5567.49","0.19","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H41 K4 N5 O14 Pt -","- C48 H36 K4 N4 O14 Pt -","- C192 H144 K16 N16 O56 Pt4 -","4","0.5","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0396","0.0328","","","0.0797","0.0825","","","","","","1.021","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505733","12.874","0.0002","13.079","0.0002","16.471","0.0004","86.193","0.0006","85.954","0.0006","80.815","0.0007","2726.7","0.09","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H43.5 Cu1.5 N7.5 Na1.5 O9 Pd -","- C66 H44 Cu1.5 N7 Na1.5 O9 Pd -","- C132 H88 Cu3 N14 Na3 O18 Pd2 -","2","1","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0913","0.0532","","","0.1041","0.1194","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505734","12.924","0.0003","13.137","0.0002","16.6","0.0005","85.575","0.0008","85.426","0.0008","80.098","0.0009","2761.78","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H43.5 Cu1.5 N7.5 Na1.5 O9 Pt -","- C66 H44 Cu1.5 N7 Na1.5 O9 Pt -","- C132 H88 Cu3 N14 Na3 O18 Pt2 -","2","1","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0801","0.0521","","","0.1053","0.1165","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505735","16.194","0.0008","35.132","0.0013","6.693","0.0003","90","","106.638","0.002","90","","3648.4","0.3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H68 Cu2 N16 O12 Pt -","- C48 H68 Cu2 N16 O12 Pt -","- C96 H136 Cu4 N32 O24 Pt2 -","2","0.25","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0841","0.0581","","","0.1443","0.1582","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505736","6.9928","0.0002","20.6631","0.001","11.7695","0.0005","90","","98.699","0.002","90","","1681.05","0.12","296","","296","","","","","","","","crystallized in-house from material from Sigma (USA)","6","P 1 21/n 1","-P 2yn","14","vitamine B1","3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium chloride monohydrochloride'","","- C12 H20 Cl2 N4 O2 S -","- C12 H18 Cl2 N4 O2 S -","- C48 H72 Cl8 N16 O8 S4 -","4","1","","Te, Ruth L.; Griesser, Ulrich J.; Morris, Kenneth R.; Byrn, Stephen R.; Stowell, Joseph G.","X-ray Diffraction and Solid-State NMR Investigation of the Single-Crystal to Single-Crystal Dehydration of Thiamine Hydrochloride Monohydrate","Crystal Growth & Design","2003","3","6","997","","10.1021/cg0340749","","","0.71073","MoKα","","","0.049","","","","0.138","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505737","7.0994","0.0006","19.808","0.002","11.6378","0.0011","90","","101.529","0.006","90","","1603.5","0.3","263","","263","","","","","","","","crystallized in-house from material from Sigma (USA)","6","P 1 21/n 1","-P 2yn","14","vitamine B1","3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium chloride monohydrochloride'","","- C12 H18 Cl2 N4 O S -","- C12 H18 Cl2 N4 O S -","- C48 H72 Cl8 N16 O4 S4 -","4","1","","Te, Ruth L.; Griesser, Ulrich J.; Morris, Kenneth R.; Byrn, Stephen R.; Stowell, Joseph G.","X-ray Diffraction and Solid-State NMR Investigation of the Single-Crystal to Single-Crystal Dehydration of Thiamine Hydrochloride Monohydrate","Crystal Growth & Design","2003","3","6","997","","10.1021/cg0340749","","","0.71073","MoKα","","","0.064","","","","0.17","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505738","16.526","0.002","10.3837","0.0014","12.3259","0.0017","90","","130.402","0.002","90","","1610.7","0.4","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","cyclo-bis(4-cyano-7-methoxy-2-aminoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C60 H76 N8 O14 S6 -","2","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0415","0.036","","","0.0963","0.0996","","","","","","0.989","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505739","11.042","0.004","6.121","0.002","13.549","0.005","90","","104.805","0.007","90","","885.3","0.5","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,S)-Cyclo-[phenylalanine-(2-amino-7-cyano -4-methoxyindan-2-carboxylic acid)","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0714","0.0471","","","0.0951","0.1041","","","","","","0.944","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505740","10.9128","0.0012","6.0767","0.0007","13.7533","0.0015","90","","94.08","0.002","90","","909.72","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-Cyclo-[phenylalanine-(2-amino-7-cyano -4-methoxyindan-2-carboxylic acid)","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.087","0.0478","","","0.0985","0.1124","","","","","","0.934","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505741","16.4321","0.0011","10.3701","0.0007","12.2684","0.0008","90","","130.242","0.001","90","","1595.78","0.19","170","2","170","2","","","","","","","","5","C 1 2 1","C 2y","5","","(S,S)-Cyclo-bis(2-amino-4-methoxy-7-cyanoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C60 H76 N8 O14 S6 -","2","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0406","0.0339","","","0.0805","0.0836","","","","","","0.965","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505742","21.156","0.003","8.8635","0.001","18.64","0.002","90","","110.286","0.002","90","","3278.5","0.7","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(R,S)-Cyclo-bis(2-amino-7-cyanoindan-4-methoxy-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C120 H152 N16 O28 S12 -","4","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0782","0.0449","","","0.1118","0.1242","","","","","","0.97","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505743","19.919","0.003","11.9916","0.0019","28.951","0.005","90","","108.562","0.003","90","","6555.5","1.8","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R,R),(S,S)-Cyclo-bis(2-amino-4-methoxy-7-cyanoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C240 H304 N32 O56 S24 -","8","2","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.1985","0.0675","","","0.1487","0.1879","","","","","","0.847","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505744","10.0589","0.0007","13.158","0.0009","15.7738","0.0011","70.127","0.001","76.419","0.001","78.161","0.001","1890.5","0.2","170","2","170","2","","","","","","","","5","P 1","P 1","1","","(S,S)-Cyclo-bis(2-amino-7-cyanoindan-4-methoxy-2-carboxylic acid)","","- C36 H48 N4 O6 S2 -","- C36 H48 N4 O6 S2 -","- C72 H96 N8 O12 S4 -","2","2","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.1282","0.0683","","","0.1616","0.1996","","","","","","1.013","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505745","12.157","0.003","18.073","0.004","22.72","0.005","90","","90","","90","","4992","2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H8 F16 S2 -","- C27 H8 F16 S2 -","- C216 H64 F128 S16 -","8","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals","Crystal Growth & Design","2003","3","5","847","","10.1021/cg034076t","","","0.71073","MoKα","","0.0493","0.0352","","","0.0814","0.088","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505746","8.565","0.003","12.886","0.004","12.896","0.004","91.569","0.006","101.802","0.005","100.209","0.006","1368.2","0.8","143","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H11 F16 S2 -","- C30 H11 F16 S2 -","- C60 H22 F32 S4 -","2","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals","Crystal Growth & Design","2003","3","5","847","","10.1021/cg034076t","","","0.71073","MoKα","","0.0777","0.0479","","","0.1171","0.1379","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505747","29.337","0.006","8.0513","0.0017","31.583","0.006","90","","117.188","0.004","90","","6636","2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H16 F16 S2 -","- C37 H16 F16 S2 -","- C296 H128 F128 S16 -","8","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals","Crystal Growth & Design","2003","3","5","847","","10.1021/cg034076t","","","0.71073","MoKα","","0.1264","0.054","","","0.1108","0.1518","","","","","","1.009","","","","has coordinates,has disorder","301842","2025-08-21","00:37:16",""
"4505748","7.4343","0.0013","8.6973","0.0015","9.772","0.002","64.74","0.02","70.307","0.016","89.487","0.015","531.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(HNMe3)2, Ni(mnt)2","Bis(trimethylammonium), bis(dicyanoethylene-1,2-dithiolato)nickelate","","- C14 H20 N6 Ni S4 -","- C14 H20 N6 Ni S4 -","- C14 H20 N6 Ni S4 -","1","0.5","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","","0.71073","MoKα","","0.107","0.0412","","","0.0881","0.1027","","","","","","1.042","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505749","11.4302","0.0015","13.7495","0.0014","15.4235","0.0017","86.097","0.013","80.736","0.014","70.242","0.014","2251.3","0.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","HNMe3, Ni(mnt)2","Trimethylammonium, bis(dicyanoethylene-1,2-dithiolato)nickelate ethanol solvate","","- C11.8 H12 N5 Ni O0.4 S4 -","- C11.8 H12 N5 Ni O0.4 S4 -","- C59 H60 N25 Ni5 O2 S20 -","5","2.5","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","x-ray","0.71073","MoKα","","0.123","0.0454","","","0.0962","0.1202","","","","","","0.681","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505750","16.5462","0.0015","6.3851","0.0003","17.4351","0.0016","90","","118.047","0.01","90","","1625.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PyH, Ni(mnt)2","","","- C13 H6 N5 Ni S4 -","- C13 H6 N5 Ni S4 -","- C52 H24 N20 Ni4 S16 -","4","1","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","","0.71073","MoKα","","0.0589","0.0337","","","0.0642","0.0687","","","","","","0.893","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505751","8.9923","0.0008","15.603","0.0019","10.8481","0.001","90","","112.439","0.01","90","","1406.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(CNedt)2, Me3NH","bis(1-cyano-1,2-ethylenedithiolato)nickelate trimethylammonium","","- C9 H12 N3 Ni S4 -","- C9 H12 N3 Ni S4 -","- C36 H48 N12 Ni4 S16 -","4","1","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","","0.71073","MoKα","","0.0798","0.0304","","","0.04","0.0464","","","","","","0.723","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505752","8.5003","0.0018","9.2896","0.0019","10.054","0.002","83.58","0.03","76.04","0.03","81.09","0.03","758.9","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 N3 Ni S4 -","- C11 H8 N3 Ni S4 -","- C22 H16 N6 Ni2 S8 -","2","1","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","x-ray","0.71073","MoKα","","","0.0455","","","","0.0967","","","","","","0.885","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505753","7.7352","0.0007","23.0212","0.0019","8.315","0.0007","90","","106.454","0.003","90","","1420","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NB2","","","- C16 H15 N O6 -","- C16 H15 N O6 -","- C64 H60 N4 O24 -","4","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Adducts of 2-Hydroxyethylphthalimide with 1,3-Dihydroxybenene and 1,3,5-Trihydroxybenzene","Crystal Growth & Design","2003","3","5","639","","10.1021/cg034082p","","","0.71073","MoKα","","0.1065","0.0691","","","0.1222","0.1335","","","","","","1.139","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505754","23.306","0.002","8.0979","0.0007","15.7049","0.0014","90","","98.781","0.003","90","","2929.2","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","NB1","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C128 H120 N8 O40 -","8","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Adducts of 2-Hydroxyethylphthalimide with 1,3-Dihydroxybenene and 1,3,5-Trihydroxybenzene","Crystal Growth & Design","2003","3","5","639","","10.1021/cg034082p","","","0.71073","MoKα","","0.0681","0.0445","","","0.1","0.1084","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505755","8.774","0.005","17.261","0.01","10.025","0.005","90","","96.903","0.01","90","","1507.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ag(btsm)(ClO4)","","","- C9 H20 Ag Cl O4 S2 -","- C9 H20 Ag Cl O4 S2 -","- C36 H80 Ag4 Cl4 O16 S8 -","4","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.1474","0.0609","","","0.1044","0.1271","","","","","","1.005","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505756","11.735","0.002","11.735","0.002","28.352","0.006","90","","90","","120","","3381.3","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H66 Ag2 Cl2 O8 S6 -","- C30 H66 Ag2 Cl2 O8 S6 -","- C90 H198 Ag6 Cl6 O24 S18 -","3","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.0543","0.0362","","","0.0809","0.0864","","","","","","1.033","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505757","8.973","0.002","11.276","0.003","17.26","0.005","90","","94.843","0.005","90","","1740.1","0.8","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Ag Cl N0 O4 S2 -","- C11 H24 Ag Cl O4 S2 -","- C44 H96 Ag4 Cl4 O16 S8 -","4","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.0903","0.0496","","","0.1219","0.1402","","","","","","1.023","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505758","10.971","0.009","13.751","0.011","17.288","0.015","90","","90.978","0.014","90","","2608","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Ag Cl O4 S3 -","- C18 H39 Ag Cl O4 S3 -","- C72 H156 Ag4 Cl4 O16 S12 -","4","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.1198","0.0477","","","0.0697","0.0849","","","","","","0.979","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505759","9.316","0.004","9.699","0.005","11.033","0.005","72.942","0.007","87.615","0.007","85.065","0.007","949.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H28 Ag Cl O4 S2 -","- C13 H28 Ag Cl O4 S2 -","- C26 H56 Ag2 Cl2 O8 S4 -","2","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.056","0.0349","","","0.0775","0.0844","","","","","","1.04","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505760","5.5807","0.001","6.1359","0.001","18.425","0.003","92.881","0.003","92.386","0.003","90.412","0.003","629.55","0.18","291","2","291","1","","","","","","","","5","P -1","-P 1","2","","4,4,4',4'-tetramethyl-p-phenylenediamine. 1,8-dibromoperfluorooctane","","- C18 H16 Br2 F16 N2 -","- C18 H16 Br2 F16 N2 -","- C18 H16 Br2 F16 N2 -","1","0.5","","Liantonio, Rosalba; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Perfluorocarbon−Hydrocarbon Self-Assembly: First Crystalline Halogen-Bonded Complex Involving Bromoperfluoroalkanes","Crystal Growth & Design","2003","3","5","799","","10.1021/cg034098f","","","0.71069","MoKα","","0.0566","0.038","","","0.0933","0.0991","","","","","","0.958","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4506416","9.0219","0.0002","5.1183","0.0001","34.1133","0.0007","90","","90","","90","","1575.24","0.06","100","2","100","2","","","","","","","synthesized","5","P n a 21","P 2c -2n","33","","","","- C15 H13 I O3 S2 -","- C15 H13 I O3 S2 -","- C60 H52 I4 O12 S8 -","4","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0252","0.0246","","","0.0524","0.0525","","","","","","1.096","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4506417","21.3874","0.0007","5.5765","0.0003","26.7076","0.0011","90","","100.485","0.004","90","","3132.1","0.2","296","2","296","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F5 O3 S2 -","- C15 H9 F5 O3 S2 -","- C120 H72 F40 O24 S16 -","8","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.054","0.0428","","","0.1155","0.1238","","","","","","1.032","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4506418","16.9301","0.0008","5.6351","0.0003","18.5698","0.0008","90","","111.768","0.002","90","","1645.28","0.14","100","2","100","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F4 I O3 S2 -","- C15 H9 F4 I O3 S2 -","- C60 H36 F16 I4 O12 S8 -","4","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0273","0.0266","","","0.0645","0.0648","","","","","","1.14","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506419","16.7476","0.0006","5.3576","0.0002","9.8572","0.0003","90","","100.589","0.001","90","","869.39","0.05","100","2","100","2","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","","","- C16 H17 N O5 S3 -","- C16 H17 N O5 S3 -","- C32 H34 N2 O10 S6 -","2","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0244","0.0242","","","0.0629","0.0631","","","","","","1.032","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4506420","5.7099","0.0004","10.7256","0.0006","15.2849","0.0012","107.324","0.005","95.601","0.005","99.714","0.004","869.86","0.11","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C15 H16 N2 O5 S3 -","- C15 H16 N2 O5 S3 -","- C30 H32 N4 O10 S6 -","2","1","","Lee, Mijoon; Ikejiri, Masahiro; Klimpel, Dennis; Toth, Marta; Espahbodi, Mana; Hesek, Dusan; Forbes, Christopher; Kumarasiri, Malika; Noll, Bruce C.; Chang, Mayland; Mobashery, Shahriar","Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors.","ACS medicinal chemistry letters","2012","3","6","490","495","10.1021/ml300050b","","x-ray","1.54178","CuKα","","0.0407","0.0381","","","0.0986","0.1004","","","","","","1.077","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4507431","26.531","0.0004","29.2825","0.001","21.2848","0.0004","90","","90","","90","","16536","0.7","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C192 H144 Cu4 N28 O12 -","- C192 H144 Cu4 N28 O12 -","- C768 H576 Cu16 N112 O48 -","4","","","He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong","Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity","ACS Catalysis","2013","3","1","1","","10.1021/cs300640r","","","1.54178","CuKα","","0.1248","0.1044","","","0.2103","0.2221","","","","","","1.006","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507432","13.373","0.005","13.767","0.005","14.926","0.005","104.973","0.005","103.729","0.005","109.545","0.005","2338.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 Cu4 N20 O22 -","- C100 H80 Cu4 N20 O22 -","- C100 H80 Cu4 N20 O22 -","1","0.5","","He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong","Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host–Guest Modulated Catalytic Activity","ACS Catalysis","2013","3","1","1","","10.1021/cs300640r","","","1.54178","CuKα","","0.0962","0.0643","","","0.1513","0.1656","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507433","24.2414","0.0006","12.5158","0.0003","30.0577","0.0008","90","","106.816","0.003","90","","8729.6","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 Cl2 F5 N3 O3 Ru -","- C46 H50 Cl2 F5 N3 O3 Ru -","- C368 H400 Cl16 F40 N24 O24 Ru8 -","8","2","","Nelson, David J.; Queval, Pierre; Rouen, Mathieu; Magrez, Magaly; Toupet, Loïc; Caijo, Frédéric; Borré, Etienne; Laurent, Isabelle; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc; Percy, Jonathan M.","Synergic Effects Between N-Heterocyclic Carbene and Chelating Benzylidene‒Ether Ligands Toward the Initiation Step of Hoveyda‒Grubbs Type Ru Complexes","ACS Catalysis","2013","3","2","259","264","10.1021/cs400013z","","","0.71073","MoKα","","0.1475","0.05","","","0.0759","0.0913","","","","","","0.798","","","","has coordinates","209801","2020-10-21","18:00:00",""
"4507438","7.6922","0.0017","10.824","0.003","11.227","0.003","74.383","0.004","86.307","0.004","80.513","0.005","887.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H8 Br Fe2 N O6 S2 -","- C14 H8 Br Fe2 N O6 S2 -","- C28 H16 Br2 Fe4 N2 O12 S4 -","2","1","","Dey, Subal; Rana, Atanu; Dey, Somdatta Ghosh; Dey, Abhishek","Electrochemical Hydrogen Production in Acidic Water by an Azadithiolate Bridged Synthetic Hydrogenese Mimic: Role of Aqueous Solvation in Lowering Overpotential","ACS Catalysis","2013","3","3","429","","10.1021/cs300835a","","","0.71073","MoKα","","0.0361","0.0331","","","0.095","0.0986","","","","","","0.782","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507767","10.5224","0.0009","8.7192","0.0007","20.0164","0.0017","90","","102.322","0.002","90","","1794.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Zhang, Xiao-Nan; Shi, Min","Phosphine-Catalyzed [3 + 2] Cycloaddition of 4,4-Dicyano-2-methylenebut-3-enoates with Benzyl Buta-2,3-dienoate and Penta-3,4-dien-2-one","ACS Catalysis","2013","3","4","507","","10.1021/cs300751a","","","0.71073","MoKα","","0.0579","0.0453","","","0.1168","0.1263","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507768","6.0338","0.0007","7.3229","0.0008","32.512","0.004","90","","90","","90","","1436.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F3 N2 O7 -","- C11 H13 F3 N2 O7 -","- C44 H52 F12 N8 O28 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0459","0.0367","","","0.0898","0.0943","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507769","5.2612","0.0002","8.0356","0.0003","26.8522","0.001","90","","90.009","0.002","90","","1135.23","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O4 -","- C10 H11 F3 O4 -","- C40 H44 F12 O16 -","4","2","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0521","0.0518","","","0.1551","0.1554","","","","","","1.115","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507770","7.0694","0.001","7.0694","0.001","35.24","0.007","90","","90","","90","","1761.2","0.5","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C7 H10 F3 N O3 -","- C7 H10 F3 N O3 -","- C56 H80 F24 N8 O24 -","8","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0437","0.0437","","","0.1122","0.1122","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507771","6.4729","0.0013","7.3947","0.0015","21.763","0.004","90","","90","","90","","1041.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 F3 N O3 -","- C8 H12 F3 N O3 -","- C32 H48 F12 N4 O12 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.073","0.0699","","","0.1857","0.1914","","","","","","1.053","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507772","5.1139","0.0009","6.3453","0.0011","11.289","0.002","82.575","0.003","79.056","0.003","68.124","0.003","333.07","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","1","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0354","0.0351","","","0.1","0.1005","","","","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507773","7.077","0.002","7.792","0.002","17.241","0.005","83.163","0.006","83.039","0.006","75.993","0.006","911.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N O2 S -","- C19 H19 Cl2 N O2 S -","- C38 H38 Cl4 N2 O4 S2 -","2","1","","Cheng, Jiajia; Tang, Xinjun; Ma, Shengming","Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes","ACS Catalysis","2013","3","4","663","","10.1021/cs300838k","","","0.71073","MoKα","","0.0479","0.0409","","","0.1115","0.1175","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507774","14.8823","0.0006","15.0709","0.0006","15.0819","0.0006","90","","90","","90","","3382.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl N O2 S -","- C16 H22 Cl N O2 S -","- C128 H176 Cl8 N8 O16 S8 -","8","1","","Cheng, Jiajia; Tang, Xinjun; Ma, Shengming","Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes","ACS Catalysis","2013","3","4","663","","10.1021/cs300838k","","","0.71073","MoKα","","0.0504","0.0424","","","0.1163","0.1293","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507775","8.6638","0.001","10.6945","0.0012","21.769","0.002","90","","90","","90","","2017","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O4 S -","- C22 H18 Br N O4 S -","- C88 H72 Br4 N4 O16 S4 -","4","1","","Jia, Min-Qiang; You, Shu-Li","N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde–Ketone Benzoin Reactions","ACS Catalysis","2013","3","4","622","","10.1021/cs4000014","","","0.71073","MoKα","","0.0633","0.0463","","","0.1026","0.1108","","","","","","0.978","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507776","6.5346","0.0006","8.803","0.0009","10.4461","0.0011","85.089","0.009","75.857","0.009","68.462","0.009","542","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Baronsky, Thilo; Beattie, Christopher; Harrington, Ross W.; Irfan, Reyhan; North, Michael; Osende, Javier G.; Young, Carl","Bimetallic Aluminum(salen) Catalyzed Synthesis of Oxazolidinones from Epoxides and Isocyanates","ACS Catalysis","2013","3","4","790","","10.1021/cs4001046","","","0.71073","MoKα","","0.0597","0.0545","","","0.1801","0.1857","","","","","","1.191","","","","has coordinates","301842","2025-08-21","00:37:19",""
"4507881","19.5432","0.001","27.2305","0.0014","23.3159","0.0012","90","","99.748","0.001","90","","12228.9","1.1","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Cl2 F12 N10 O4 P2 Ru2 -","- C60 H49 Cl2 F12 N10 O4 P2 Ru2 -","- C480 H392 Cl16 F96 N80 O32 P16 Ru16 -","8","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71073","MoKα","","","0.0338","","","","0.0869","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507882","11.4748","0.0018","22.961","0.004","11.4873","0.0017","90","","95.161","0.002","90","","3014.3","0.8","296.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl F6 N4 O2 P Ru -","- C30 H18 Cl F6 N4 O2 P Ru -","- C120 H72 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71069","MoKα","","","0.1287","","","","0.3423","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507883","8.6237","0.0008","30.965","0.003","11.965","0.0011","90","","109.38","0.001","90","","3014","0.5","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl F9 N5 P Ru -","- C29 H21 Cl F9 N5 P Ru -","- C116 H84 Cl4 F36 N20 P4 Ru4 -","4","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71069","MoKα","","","0.0442","","","","0.1203","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508109","11.6786","0.0009","19.4125","0.0016","11.7398","0.0009","90","","104.932","0.001","90","","2571.7","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N6 O4 Re -","- C25 H20 Br N6 O4 Re -","- C100 H80 Br4 N24 O16 Re4 -","4","1","","Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel","Photocatalytic Conversion of CO2to CO Using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties","ACS Catalysis","2013","3","8","1685","","10.1021/cs400332y","","","0.71073","MoKα","","0.0647","0.0495","","","0.136","0.1488","","","","","","1.025","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508110","14.843","0.003","16.907","0.004","17.478","0.004","90","","93.767","0.004","90","","4376.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C8H14[OSSO]V(=O)(OPr)3","C8H14[OSSO]V(=O)(OPr)3","","- C44 H72 O4 S2 V -","- C44 H72 O4 S2 V -","- C176 H288 O16 S8 V4 -","4","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0787","0.0627","","","0.1483","0.1604","","","","","","1.055","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508111","17.747","0.005","15.722","0.004","19.957","0.006","90","","103.391","0.004","90","","5417","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C8H14[OSSO]NbCl3","C8H14[OSSO]NbCl3","","- C56 H70 Cl3 Nb O2 S2 -","- C56 H70 Cl3 Nb O2 S2 -","- C224 H280 Cl12 Nb4 O8 S8 -","4","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0854","0.0634","","","0.1493","0.1659","","","","","","1.077","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508112","14.0634","0.0012","11.496","0.001","14.0371","0.0012","90","","101.661","0.0014","90","","2222.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","C8H14[OSSO]TaCl3","C8H14[OSSO]TaCl3","","- C44 H64 Cl3 O2 S2 Ta -","- C44 H64 Cl3 O2 S2 Ta -","- C88 H128 Cl6 O4 S4 Ta2 -","2","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0234","0.0232","","","0.0587","0.0588","","","","","","1.059","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508362","12.129","0.002","11.4374","0.0017","17.545","0.003","90","","95.165","0.007","90","","2424","0.7","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl2 F6 Ir N2 O2 P -","- C18 H28 Cl2 F6 Ir N2 O2 P -","- C72 H112 Cl8 F24 Ir4 N8 O8 P4 -","4","1","","Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A.","Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes","ACS Catalysis","2013","3","10","2304","","10.1021/cs400420n","","","0.71073","MoKα","","0.1021","0.0614","","","0.1642","0.1943","","","","","","1.017","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508363","10.982","0.002","13.584","0.003","15.035","0.003","95.693","0.007","108.315","0.008","110.76","0.007","1934.2","0.7","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 F6 Ir2 N4 O7 S2 -","- C32 H50 F6 Ir2 N4 O7 S2 -","- C64 H100 F12 Ir4 N8 O14 S4 -","2","1","","Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A.","Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes","ACS Catalysis","2013","3","10","2304","","10.1021/cs400420n","","","0.71073","MoKα","","0.0442","0.0276","","","0.0487","0.0518","","","","","","1.039","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508364","20.0576","0.0004","14.3652","0.0003","17.229","0.0004","90","","95.415","0.002","90","","4942.06","0.18","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Tris(acetonitrile)(nitrosyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum hemikis[di-μ-chloro(tetrachloro)dizincate] toluene solvate","","- C49 H45 Cl3 Mo N4 O2 P2 Zn -","- C49 H45 Cl3 Mo N4 O2 P2 Zn -","- C196 H180 Cl12 Mo4 N16 O8 P8 Zn4 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.1531","0.062","","","0.0893","0.107","","","","","","0.916","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508365","12.4979","0.0002","15.4233","0.0003","19.774","0.0004","88.382","0.002","81.163","0.002","87.527","0.001","3761.96","0.12","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","Tris(acetonitrile)(nitrosyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum tetrakis[3'5-bis(trifluoromethyl)phenyl]borate hemipentane solvate","","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","1","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0637","0.048","","","0.1423","0.1478","","","","","","1.115","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508366","16.0776","0.0009","17.0716","0.0013","18.0135","0.0014","105.257","0.007","115.011","0.007","98.938","0.005","4116.7","0.6","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Bis(acetonitrile)(di-μ-chloro)bis(nitrosyl){bis[oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]}dimolybdenum bis{tetrakis[3'5-bis(trifluoromethyl)phenyl]borate} chlorobenzene pentane solvate","","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","1","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.1467","0.1156","","","0.2968","0.3276","","","","","","1.179","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508367","11.5883","0.0001","13.8586","0.0001","24.9475","0.0002","90","","101.155","0.001","90","","3930.82","0.06","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro(nitrosyl)(dicarbonyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum toluene solvate","","- C45 H36 Cl Mo N O4 P2 -","- C45 H36 Cl Mo N O4 P2 -","- C180 H144 Cl4 Mo4 N4 O16 P8 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.045","0.0323","","","0.0809","0.0834","","","","","","1.081","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508368","10.2639","0.0001","21.2569","0.0003","18.332","0.0003","90","","105.192","0.002","90","","3859.88","0.1","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro[(2-{[2'-(diphenylphosphanyl-κ<i>P</i>)biphenyl-2-yl]oxy-κ<i>O</i>}phenyl)(diphenyl)phosphane-κ<i>P</i>](nitrosyl)(trimethylphosphane)molybdenum diethyl ether solvate","","- C82 H84 Cl2 Mo2 N2 O5 P6 -","- C82 H84 Cl2 Mo2 N2 O5 P6 -","- C164 H168 Cl4 Mo4 N4 O10 P12 -","2","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0696","0.0472","","","0.11","0.116","","","","","","1.052","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508369","19.3956","0.0003","12.6738","0.0002","20.4746","0.0003","90","","114.639","0.002","90","","4574.74","0.14","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro[(2-{[2'-(diphenylphosphanyl-κ<i>P</i>)biphenyl-2-yl]oxy-κ<i>O</i>}phenyl)(diphenyl)phosphane-κ<i>P</i>](nitrosyl)(triphenylphosphane)molybdenum","","- C54 H43 Cl Mo N O2 P3 -","- C54 H43 Cl Mo N O2 P3 -","- C216 H172 Cl4 Mo4 N4 O8 P12 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0361","0.027","","","0.0714","0.0733","","","","","","1.08","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508370","8.288","0.007","11.99","0.009","13.424","0.01","100.742","0.015","95.96","0.03","103.708","0.014","1257.9","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ec001","ec001","","- C23 H39 Ir O3 P2 -","- C23 H39 Ir O3 P2 -","- C46 H78 Ir2 O6 P4 -","2","1","","Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.","Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes","ACS Catalysis","2013","3","10","2391","","10.1021/cs400551g","","","0.71073","MoKα","","0.0665","0.0422","","","0.0696","0.0772","","","","","","0.978","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508371","16.707","0.002","18.088","0.002","39.933","0.005","90","","96.48","0.01","90","","11991","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H52 B F24 Ir O3 P2 -","- C55 H52 B F24 Ir O3 P2 -","- C440 H416 B8 F192 Ir8 O24 P16 -","8","1","","Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.","Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes","ACS Catalysis","2013","3","10","2391","","10.1021/cs400551g","","","0.71073","MoKα","","0.0709","0.0537","","","0.1069","0.1138","","","","","","1.115","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508372","12.4548","0.0003","12.8516","0.0003","20.4735","0.0005","90","","93.992","0.001","90","","3269.12","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 N3 Zn -","- C36 H47 N3 Zn -","- C144 H188 N12 Zn4 -","4","1","","Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I.","Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles","ACS Catalysis","2013","3","10","2336","","10.1021/cs400581w","","","0.71073","MoKα","","0.0516","0.037","","","0.0986","0.1083","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508373","32.0382","0.0006","11.1091","0.0002","16.1622","0.0011","90","","118.402","0.008","90","","5060","0.5","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 N2 O3 P Ru -","- C24 H40 N2 O3 P Ru -","- C192 H320 N16 O24 P8 Ru8 -","8","1","","Huff, Chelsea A.; Sanford, Melanie S.","Catalytic CO2Hydrogenation to Formate by a Ruthenium Pincer Complex","ACS Catalysis","2013","3","10","2412","","10.1021/cs400609u","","","1.54178","CuKα","","0.0286","0.0283","","","0.0757","0.0759","","","","","","1.041","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508374","18.625","0.003","20.786","0.003","32.239","0.005","90","","90","","90","","12481","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cr O4 P2 -","- C34 H30 Cr O4 P2 -","- C544 H480 Cr16 O64 P32 -","16","2","","Zhang, Jun; Wang, Xiao; Zhang, Xuejun; Wu, Weijie; Zhang, Gengtao; Xu, Sheng; Shi, Min","Switchable Ethylene Tri-/Tetramerization with High Activity: Subtle Effect Presented by Backbone-Substituent of Carbon-Bridged Diphosphine Ligands","ACS Catalysis","2013","3","10","2311","","10.1021/cs400651h","","","0.71073","MoKα","","0.0698","0.0507","","","0.1261","0.1394","","","","","","1.175","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508375","9.218","0.003","16.424","0.004","24.589","0.008","90","","90","","90","","3722.7","1.9","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Ir O5 S -","- C16 H27 Ir O5 S -","- C128 H216 Ir8 O40 S8 -","8","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0423","0.0235","","","0.0408","0.044","","","","","","1.021","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508376","9.08","0.004","14.954","0.007","15.588","0.007","90","","90","","90","","2116.6","1.7","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 F6 Ir O5 S -","- C16 H21 F6 Ir O5 S -","- C64 H84 F24 Ir4 O20 S4 -","4","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0639","0.0329","","","0.0598","0.0664","","","","","","1.023","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508377","8.2462","0.0013","14.311","0.002","16.825","0.002","90","","103.277","0.007","90","","1932.5","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Ir N O5 S -","- C19 H24 Ir N O5 S -","- C76 H96 Ir4 N4 O20 S4 -","4","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0214","0.0168","","","0.0322","0.0331","","","","","","1.027","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508378","19.779","0.003","8.4715","0.0015","30.216","0.005","90","","128.931","0.006","90","","3938.5","1.2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl Ir O3 S -","- C19 H24 Cl Ir O3 S -","- C152 H192 Cl8 Ir8 O24 S8 -","8","2","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.046","0.03","","","0.0565","0.06","","","","","","1.038","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508379","25.452","0.004","13.8983","0.0017","15.856","0.003","90","","104.624","0.007","90","","5427.2","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cu4 F12 N8 O16 S4 -","- C44 H36 Cu4 F12 N8 O16 S4 -","- C176 H144 Cu16 F48 N32 O64 S16 -","4","1","","Hoover, Jessica M.; Ryland, Bradford L.; Stahl, Shannon S.","Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems","ACS Catalysis","2013","3","11","2599","","10.1021/cs400689a","","","1.54178","CuKα","","0.0554","0.0363","","","0.0827","0.0919","","","","","","0.995","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508380","9.231","0.003","10.439","0.004","15.222","0.004","92.356","0.005","94.503","0.006","113.508","0.008","1336.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O5 -","- C32 H26 N2 O5 -","- C64 H52 N4 O10 -","2","1","","Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun","Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines","ACS Catalysis","2013","3","11","2501","","10.1021/cs400703u","","","0.7107","MoKα","","0.1466","0.0842","","","0.1817","0.2128","","","","","","1.124","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508381","15.715","0.002","22.582","0.003","16.682","0.002","90","","102.4","0.004","90","","5781.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N3 O5.5 -","- C31 H23 N3 O5.5 -","- C248 H184 N24 O44 -","8","1","","Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun","Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines","ACS Catalysis","2013","3","11","2501","","10.1021/cs400703u","","","0.7107","MoKα","","0.1236","0.097","","","0.2437","0.262","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508603","3.9967","0.0002","25.9143","0.0012","12.3646","0.0006","90","","95.947","0.004","90","","1273.73","0.11","292.23","0.1","292.23","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C60 H40 Cl4 N4 O8 -","4","1","","Han, Runfeng; Qi, Jing; Gu, Jixiang; Ma, Donghui; Xie, Xingang; She, Xuegong","N-Heterocyclic Carbene-Catalyzed Formal [3+2] Annulation of Alkynyl Aldehydes with Nitrosobenzenes: A Highly Regioselective Umpolung Strategy","ACS Catalysis","2013","3","12","2705","","10.1021/cs400602v","","","0.7107","MoKα","","0.0815","0.0511","","","0.0998","0.1207","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:20",""
"4508604","11.021","0.005","11.519","0.005","14.052","0.006","68.604","0.007","73.514","0.006","74.287","0.006","1564.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H102 N4 O2 Rh2 -","- C70 H102 N4 O2 Rh2 -","- C70 H102 N4 O2 Rh2 -","1","0.5","","Palacios, Laura; Artigas, Maria Jose; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Hydroxo–Rhodium–N-Heterocyclic Carbene Complexes as Efficient Catalyst Precursors for Alkyne Hydrothiolation","ACS Catalysis","2013","3","12","2910","","10.1021/cs400739y","","","0.71073","MoKα","","0.1317","0.0628","","","0.1073","0.1301","","","","","","0.951","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508605","22.6541","0.00016","8.25169","0.00006","17.39574","0.00012","90","","107.371","0.0003","90","","3103.55","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Goubert, Guillaume; Demers-Carpentier, Vincent; Loach, Richard P.; Lafleur-Lambert, Raphaél; Lemay, Jean-Christian; Boukouvalas, John; McBreen, Peter H.","Aminolactone Chiral Modifiers for Heterogeneous Asymmetric Hydrogenation: Corrected Structure of Pantoyl-Naphthylethylamine, In-Situ Hydrogenolysis, and Scanning Tunneling Microscopy Observation of Supramolecular Aminolactone/Substrate Assemblies on Pt(111)","ACS Catalysis","2013","3","12","2677","","10.1021/cs4007588","","","1.54178","CuKα","","0.0303","0.0301","","","0.085","0.0852","","","","","","1.046","","","","has coordinates,has disorder","301842","2025-08-21","00:37:20",""
"4508606","28.7265","0.001","8.8069","0.0003","14.8574","0.0006","90","","95.337","0.004","90","","3742.5","0.2","115","50","115","50","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 Au Cl N3 O5 S -","- C13 H21 Au Cl N3 O5 S -","- C104 H168 Au8 Cl8 N24 O40 S8 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.54184","CuKα","","0.0352","0.0287","","","0.0704","0.0745","","","","","","1.095","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508607","25.769","0.005","11.48","0.005","18.59","0.005","90","0.005","107.214","0.005","90","0.005","5253","3","150","","150","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Au Cl3 N3 O4 S2 -","- C14 H21 Au Cl3 N3 O4 S2 -","- C112 H168 Au8 Cl24 N24 O32 S16 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.5418","CuKα","","0.0908","0.0821","","","0.2258","0.2371","","","","","","1.072","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508608","24.0394","0.0005","8.8925","0.0001","21.0847","0.0004","90","","116.022","0.002","90","","4050.36","0.14","123","0.1","123","0.1","","","","","","","synthesis","7","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H20 Au Cl3 N3 O3.5 S -","- C14.5 H20 Au Cl3 N3 O3.5 S -","- C116 H160 Au8 Cl24 N24 O28 S8 -","8","2","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.54184","CuKα","","0.061","0.0581","","","0.1663","0.1712","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508609","9.717","0.0001","12.6841","0.0001","13.5632","0.0002","90","","108.02","0.001","90","","1589.68","0.03","150","2","150","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Au Cl2 N3 O3 S -","- C12 H14 Au Cl2 N3 O3 S -","- C48 H56 Au4 Cl8 N12 O12 S4 -","4","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.5418","CuKα","","0.0409","0.0396","","","0.1067","0.108","","","","","","1.129","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4510840","11.898","0.004","9.901","0.009","27.23","0.005","90","","101.02","0.02","90","","3149","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Cl N O -","- C17 H26 Cl N O -","- C136 H208 Cl8 N8 O8 -","8","2","","Torres, Eva; Fernández, Roser; Miquet, Stéphanie; Font-Bardia, Mercè; Vanderlinden, Evelien; Naesens, Lieve; Vázquez, Santiago","Synthesis and Anti-influenza A Virus Activity of 2,2-Dialkylamantadines and Related Compounds","ACS Medicinal Chemistry Letters","2012","3","12","1065","","10.1021/ml300279b","","","0.71073","MoKα","","0.1572","0.0703","","","0.1085","0.1557","","","","","","1.308","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511650","10.2527","0.0012","18.973","0.002","16.977","0.002","90","","100.46","0.002","90","","3247.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H26 Cu2 N3 O10.5 -","- C32.25 H12 Cu2 N3 O10.5 -","- C129 H48 Cu8 N12 O42 -","4","1","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1611","0.0841","","","0.1967","0.2386","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511651","8.2043","0.0013","14.97","0.002","10.6012","0.0016","90","","90.191","0.003","90","","1302","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cu2 N4 O9 -","- C25 H18 Cu2 N4 O8.5 -","- C50 H36 Cu4 N8 O17 -","2","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1331","0.0599","","","0.1116","0.1358","","","","","","0.976","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511652","18.7912","0.0008","18.7912","0.0008","16.8886","0.001","90","","90","","90","","5963.5","0.5","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C18 H10 Cu N O5 -","- C15.5556 H8 Cu0.888889 N0.888889 O3.55556 -","- C280 H144 Cu16 N16 O64 -","18","1.125","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.068","0.0407","","","0.1063","0.1139","","","","","","0.866","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511653","19.5148","0.0014","12.7678","0.0009","14.3466","0.001","90","","114.133","0.001","90","","3262.2","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H26 Cl2 Cu2 N2 O8 -","- C34 H26 Cl2 Cu2 N2 O8 -","- C136 H104 Cl8 Cu8 N8 O32 -","4","1","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.053","0.0454","","","0.1103","0.1173","","","","","","0.904","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511654","15.637","0.004","15.43","0.004","13.332","0.003","90","","116.692","0.004","90","","2873.9","1.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu2 O10 S4 -","- C26 H24 Cu2 O12 S2 -","- C104 H96 Cu8 O48 S8 -","4","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1229","0.0767","","","0.1539","0.1709","","","","","","1.024","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511655","8.4851","0.0015","14.639","0.002","11.1455","0.0019","90","","93.392","0.003","90","","1382","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu2 N4 O9 -","- C26 H22 Cu2 N4 O8.5 -","- C52 H44 Cu4 N8 O17 -","2","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1175","0.0643","","","0.112","0.1293","","","","","","0.944","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511656","18.8743","0.0016","18.8743","0.0016","17.356","0.003","90","","90","","90","","6182.9","1.3","200","2","200","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H28 Cu2 N2 O12 -","- C30 H26 Cu2 N2 O12 -","- C240 H208 Cu16 N16 O96 -","8","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1562","0.0525","","","0.115","0.1659","","","","","","1.068","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511657","12.938","0.005","9.616","0.003","13.784","0.005","90","","91.75","0.03","90","","1714.1","1.1","295","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(2-BrPyH)2CuCl4)","2-Bromopyridinium tetrachlorocoprate(II)","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C40 H40 Br8 Cl16 Cu4 N8 -","4","0.5","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0484","0.0388","","","0.1002","0.106","","","","","","1.089","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511658","7.5639","0.0009","7.815","0.0011","15.5441","0.0017","82.11","0.011","78.869","0.011","67.06","0.008","828.3","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","(3-BrPyH)2CuCl4)","3-Bromopyridinium Tetrachlorocuprate(II)","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0567","0.0377","","","0.0853","0.0952","","","","","","1.067","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511659","6.501","0.002","8.573","0.003","16.192","0.006","89.76","0.07","89.67","0.09","78.7","0.08","884.9","0.6","81","2","81","2","","","","","","","","5","P -1","-P 1","2","(3-BrPyH)2CuBr4)","3-Bromopyridinium Tetrabromocuprate(II)","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0882","0.0509","","","0.084","0.0945","","","","","","0.951","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511660","7.7752","0.0009","27.963","0.003","8.7233","0.001","90","","116.251","0.007","90","","1701","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(4-BrPyH)2CuCl4","4-Bromopyridinium Tetrachlorocuprate(II)","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C40 H40 Br8 Cl16 Cu4 N8 -","4","1","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0779","0.0441","","","0.0873","0.0982","","","","","","1.025","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511661","16.904","0.002","7.7659","0.0012","14.0292","0.0017","90","","98.189","0.01","90","","1822.9","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-BrPyH)2CuBr4","4-Bromopyridinium Tetrabromocuprate(II)","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C40 H40 Br24 Cu4 N8 -","4","0.5","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0979","0.057","","","0.1284","0.1493","","","","","","1.043","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4513648","7.875","","12.431","","10.537","","90","","110.94","","90","","963.384","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K Gd (P O3)4","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd4 K4 O48 P16 -","4","0.5","","Ettis, H.; Mhiri, T.; Naili, H.","Synthesis and crystal structure of a new potassium-gadolinium cyclotetraphosphate, K Gd P4 O12","Crystal Growth and Design","2003","3","","599","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4515854","10.8541","0.0014","11.169","0.002","12.0753","0.0017","112.082","0.015","94.659","0.011","115.759","0.015","1168.1","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N2 O2 S2 -","- C25 H26 N2 O2 S2 -","- C50 H52 N4 O4 S4 -","2","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","0.71073","MoKα","","0.1491","0.0906","","","0.198","0.267","","","","","","0.961","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515855","10.0414","0.0004","15.0433","0.0006","15.5315","0.0006","93.055","0.003","107.51","0.004","106.789","0.004","2116.64","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S2 -","- C23 H22 N2 O2 S2 -","- C92 H88 N8 O8 S8 -","4","2","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0606","0.0495","","","0.1576","0.1652","","","","","","1.139","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515856","5.2088","0.0003","9.272","0.0006","28.3737","0.0017","90","","90","","90","","1370.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0681","0.0644","","","0.1756","0.1816","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515857","16.9687","0.0007","9.905","0.0009","17.5869","0.001","90","","117.124","0.003","90","","2630.8","0.3","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B N S2 -","- C28 H32 B N S2 -","- C112 H128 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.0606","0.0518","","","0.1408","0.15","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515858","8.0507","0.0005","16.79","0.001","25.3603","0.0012","90","","90","","90","","3428","0.3","298","2","298.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C40 H40 B N S2 -","- C40 H40 B N S2 -","- C160 H160 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.061","0.0447","","","0.1054","0.1147","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515859","27.173","0.009","18.901","0.006","23.601","0.012","90","","121.36","0.013","90","","10351","7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H44 Cl3 N2 O2 P2 Ru -","- C59 H44 Cl3 N2 O2 P2 Ru -","- C472 H352 Cl24 N16 O16 P16 Ru8 -","8","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.1073","0.0631","","","0.1825","0.2238","","","","","","1.467","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515860","11.7693","0.0004","12.6976","0.0004","14.8599","0.0005","97.091","0.001","107.794","0.001","113.557","0.001","1859.94","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0375","0.0335","","","0.1127","0.1198","","","","","","1.023","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515861","11.9432","0.0005","12.5744","0.0005","14.4985","0.0007","99.789","0.002","105.371","0.002","115.439","0.001","1792.33","0.14","141","2","141","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0432","0.0359","","","0.0876","0.0947","","","","","","0.99","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515862","19.593","0.005","17.367","0.005","18.153","0.005","90","0.005","108.269","0.005","90","0.005","5866","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H54 Cl2 N6 O8 Ru -","- C67 H54 Cl2 N6 O8 Ru -","- C268 H216 Cl8 N24 O32 Ru4 -","4","1","","Pal, Poulami; Mukherjee, Shruti; Maity, Dinesh; Baitalik, Sujoy","Synthesis, Photophysics, and Switchable Luminescence Properties of a New Class of Ruthenium(II)-Terpyridine Complexes Containing Photoisomerizable Styrylbenzene Units.","ACS omega","2018","3","10","14526","14537","10.1021/acsomega.8b01927","","","0.71073","MoKα","","0.0569","0.0419","","","0.1244","0.1339","","","","","","0.943","","","","has coordinates","225960","2020-10-21","18:00:00",""
"4515863","7.3587","0.0007","10.0065","0.0008","18.5152","0.001","90","","95.836","0.007","90","","1356.3","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 N3 -","- C14 H9 Br2 N3 -","- C56 H36 Br8 N12 -","4","1","","Chen, Zhengwang; Liang, Pei; Zheng, Jing; Zhou, Zhonggao; Wen, Xiaowei; Liu, Tanggao; Ye, Min","Cyanide-Free Ce(III)-Catalyzed Highly Efficient Synthesis of α-Iminonitriles from 2-Aminopyridines and Nitroalkenes via Intermolecular Dehydration Reaction.","ACS omega","2018","3","10","12520","12529","10.1021/acsomega.8b02214","","","0.71073","MoKα","","0.0807","0.044","","","0.0774","0.0915","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515864","6.081","0.005","12.345","0.011","22.898","0.016","90","","93.02","0.02","90","","1717","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5'-fluoro-3-(4-methoxyphenyl)-2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylate","","- C20 H18 F N O4 -","- C20 H18 F N O4 -","- C80 H72 F4 N4 O16 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1137","0.0643","","","0.1539","0.1784","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515865","10.5066","0.0007","35.89","0.003","9.3401","0.0007","90","","103.633","0.004","90","","3422.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N8 O10 -","- C38 H28 N8 O10 -","- C152 H112 N32 O40 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1255","0.0631","","","0.1484","0.1786","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515866","11.8035","0.0016","15.125","0.002","28.887","0.004","90","","90","","90","","5157.1","1.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C196 H240 Br8 Cl8 N32 O16 Pt8 -","4","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.1171","0.0637","","","0.1439","0.1692","","","","","","1.081","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515867","9.0266","0.0005","20.43","0.0009","14.744","0.0006","90","","94.271","0.004","90","","2711.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Br N4 O2 Pt -","- C30 H33 Br N4 O2 Pt -","- C120 H132 Br4 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0893","0.0463","","","0.086","0.1","","","","","","1.005","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515868","10.258","0.002","10.484","0.002","16.122","0.003","80.57","0.03","80.05","0.03","72.63","0.03","1618.2","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 Br Cl2 N4 O2 Pt -","- C32 H37 Br Cl2 N4 O2 Pt -","- C64 H74 Br2 Cl4 N8 O4 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0453","0.0389","","","0.1045","0.1209","","","","","","1.097","","","","has coordinates,has disorder","225964","2020-10-21","18:00:00",""
"4515869","18.083","0.003","12.964","0.002","8.3848","0.0014","90","","92.263","0.004","90","","1964.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N4 Pt -","- C21 H23 Br N4 Pt -","- C84 H92 Br4 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0873","0.0454","","","0.089","0.1036","","","","","","1.018","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515870","9.7737","0.0005","10.0964","0.0005","36.9181","0.0017","90","","97.239","0.002","90","","3614","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Br Cl5 N4 O2 Pt -","- C32 H37 Br Cl5 N4 O2 Pt -","- C128 H148 Br4 Cl20 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0791","0.0479","","","0.1028","0.116","","","","","","1.006","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515871","8.8735","0.0006","10.971","0.0006","17.8017","0.0011","94.577","0.004","93.652","0.004","113.547","0.004","1574.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 B Br N4 O3 Pt -","- C32 H40 B Br N4 O3 Pt -","- C64 H80 B2 Br2 N8 O6 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0972","0.0592","","","0.1169","0.1329","","","","","","1.055","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515872","9.8253","0.0003","9.9194","0.0003","19.4252","0.0006","103.365","0.002","95.89","0.002","99.558","0.002","1796.64","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 B Br N4 O4 Pt -","- C37 H50 B Br N4 O4 Pt -","- C74 H100 B2 Br2 N8 O8 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0724","0.0449","","","0.0834","0.0926","","","","","","1.042","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515873","12.59","0.03","19.81","0.05","18.88","0.04","90","","97.17","0.02","90","","4672","19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O4 S3 -","- C23 H17 N3 O4 S3 -","- C184 H136 N24 O32 S24 -","8","2","","Singsardar, Mukta; Mondal, Susmita; Sarkar, Rajib; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Regioselective Imidation of Imidazoheterocycles with <i>N</i>-Fluorobenzenesulfonimide.","ACS omega","2018","3","10","12505","12512","10.1021/acsomega.8b02088","","","0.71073","MoKα","","0.1507","0.0931","","","0.2481","0.293","","","","","","1.803","","","","has coordinates","225965","2020-10-21","18:00:00",""
"4515874","20.702","0.002","20.702","0.002","16.158","0.002","90","","90","","120","","5997.1","1.1","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C27 H45 Cl Mo3 O10 S4 -","- C27 H46 Cl Mo3 O10 S4 -","- C162 H276 Cl6 Mo18 O60 S24 -","6","0.5","","Fu, Dong; Fabre, Bruno; Loget, Gabriel; Mériadec, Cristelle; Ababou-Girard, Soraya; Cadot, Emmanuel; Leclerc-Laronze, Nathalie; Marrot, Jérôme; de Ponfilly, Quentin","Polyoxothiometalate-Derivatized Silicon Photocathodes for Sunlight-Driven Hydrogen Evolution Reaction.","ACS omega","2018","3","10","13837","13849","10.1021/acsomega.8b01734","","","0.71073","MoKα","","0.0566","0.05","","","0.1298","0.1353","","","","","","1.147","","","","has coordinates","225966","2020-10-21","18:00:00",""
"4515875","31.177","0.003","6.1229","0.0005","14.3335","0.0012","90","","113.771","0.002","90","","2504","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Phenylformamide","N-Phenylformamide","","- C7 H7 N O -","- C7 H7 N O -","- C112 H112 N16 O16 -","16","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.0628","0.0396","","","0.0967","0.1099","","","","","","1.031","","","","has coordinates","225967","2020-10-21","18:00:00",""
"4515876","5.1753","0.0014","19.084","0.004","8.2765","0.0018","90","","90.302","0.009","90","","817.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2,2-trifluoro-N-phenylacetamide","2,2,2-trifluoro-N-phenylacetamide","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C32 H24 F12 N4 O4 -","4","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.1606","0.0818","","","0.1846","0.2344","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515877","9.969","0.003","10.642","0.003","10.172","0.003","90","","90","","90","","1079.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(Phenyl)-2,2,2-trimethylacetamide","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71069","MoKα","","0.0387","0.0368","","","0.0902","0.0924","","","","","","1.123","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515878","9.371","0.0009","7.7868","0.0008","19.5301","0.0019","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515879","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","225971","2020-10-21","18:00:00",""
"4515880","10.1863","0.0008","9.1483","0.0007","11.8856","0.0009","90","","90","","90","","1107.59","0.15","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2,2-Tribromo-<i>N</i>-phenylacetamide","","- C8 H6 Br3 N O -","- C8 H6 Br3 N O -","- C32 H24 Br12 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","1.5418","CuKα","","0.0818","0.0792","","","0.2325","0.2372","","","","","","1.053","","","","has coordinates","225972","2020-10-21","18:00:00",""
"4515881","12.3716","0.0006","9.6865","0.0003","20.7826","0.0013","90","","105.941","0.006","90","","2394.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 Ni O5 Pb S2 -","- C21 H22 N4 Ni O5 Pb S2 -","- C84 H88 N16 Ni4 O20 Pb4 S8 -","4","1","","Roy, Sourav; Halder, Soumi; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Fabrication of an Active Electronic Device Using a Hetero-bimetallic Coordination Polymer.","ACS omega","2018","3","10","12788","12796","10.1021/acsomega.8b02025","","","0.71073","MoKα","","0.0798","0.0538","","","0.0916","0.0987","","","","","","1.094","","","","has coordinates","225973","2020-10-21","18:00:00",""
"4515882","10.60195","0.00019","10.75301","0.00019","11.3032","0.0002","59.987","0.001","80.147","0.001","88.894","0.001","1096.03","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","3C(alpha)","","","- C24 H28 O8 -","- C24 H28 O8 -","- C48 H56 O16 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0926","0.0759","","","0.1905","0.2","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515883","8.7988","0.00016","10.50228","0.00019","13.8851","0.0003","89.745","0.001","76.69","0.001","79.141","0.001","1225.25","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","5b","","","- C26 H32 O10 -","- C26 H32 O10 -","- C52 H64 O20 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0527","0.0435","","","0.1183","0.127","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515884","13.5461","0.0018","25.518","0.003","47.112","0.006","90","","94.719","0.003","90","","16230","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C496 H272 Cl16 Co120 N16 O304 Pd72 -","8","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1101","0.086","","","0.1491","0.1582","","","","","","1.248","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515885","25.9095","0.0015","12.7628","0.0007","25.9267","0.0015","90","","90","","90","","8573.4","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C252 H144 Cl16 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.118","0.1166","","","0.3128","0.3135","","","","","","1.174","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515886","12.9658","0.0007","36.928","0.002","18.5192","0.001","90","","98.141","0.003","90","","8777.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0396","0.0303","","","0.0678","0.0724","","","","","","1.065","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515887","13.0934","0.0006","37.1883","0.0017","18.6966","0.0009","90","","97.344","0.002","90","","9029.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0916","0.0539","","","0.119","0.1359","","","","","","1.031","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515888","12.6823","0.0007","12.8975","0.0007","30.7793","0.0018","95.725","0.003","98.686","0.003","94.004","0.003","4933.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0658","0.0502","","","0.1319","0.1435","","","","","","1.032","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515889","13.0138","0.0007","13.0903","0.0007","31.023","0.0016","96.767","0.003","99.948","0.003","93.099","0.003","5154.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0685","0.0496","","","0.1252","0.1367","","","","","","1.051","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515890","18.8375","0.0014","18.8375","0.0014","22.4956","0.0019","90","","90","","120","","6913.1","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.038","0.0307","","","0.0698","0.0743","","","","","","1.007","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515891","18.9827","0.0005","18.9827","0.0005","22.7666","0.0014","90","","90","","120","","7104.7","0.5","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0497","0.0387","","","0.0935","0.1017","","","","","","1.034","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515892","12.7371","0.0009","13.5459","0.001","28.843","0.002","93.292","0.002","93.675","0.002","111.909","0.002","4589.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C144 H100 Cl4 Co30 N6 O76 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1008","0.0632","","","0.1163","0.1285","","","","","","1.06","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515893","39.915","0.003","12.8254","0.0008","17.5401","0.0011","90","","90","","90","","8979.2","1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C288 H200 Cl8 Co60 N12 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0354","0.0342","","","0.0805","0.081","","","","","","1.104","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515894","12.7433","0.0012","16.7009","0.0016","28.227","0.003","90.39","0.002","94.828","0.002","112.141","0.002","5539.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C198 H112 Cl4 Co30 O76 P6 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0492","0.0362","","","0.0654","0.0686","","","","","","1.058","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515895","11.9099","0.0007","21.2639","0.0013","25.6686","0.0015","114.096","0.001","90.729","0.001","100.805","0.001","5800","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C172 H72 Cl8 Co52 N4 O116 Pd12 -","4","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0601","0.0401","","","0.0729","0.0783","","","","","","1.057","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515896","11.3488","0.0004","13.6232","0.0004","14.1177","0.0005","62.07","0.002","79.979","0.002","69.75","0.002","1809.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0643","0.0435","","","0.1074","0.1253","","","","","","1.05","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515897","11.4009","0.0016","13.94","0.002","14.213","0.002","62.21","0.002","78.778","0.002","69.642","0.002","1872.1","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pt4 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.074","0.0508","","","0.1415","0.1576","","","","","","1.044","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515898","4.034","0.0003","13.7987","0.0013","8.7445","0.0007","90","","97.123","0.001","90","","483","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C0 H0 Cl3 Cu K -","- Cl3 Cu K -","- Cl12 Cu4 K4 -","4","1","","Zhou, Huawei; Liu, Xuejing; He, Guohang; Fan, Lin; Shi, Shaozhen; Wei, Jiazhen; Xu, Wenli; Yuan, Cang; Chai, Ning; Chen, Baoli; Zhang, Yingtian; Zhang, Xianxi; Zhao, Jinsheng; Wei, Xinting; Yin, Jie; Tian, Dongxu","Synthesis, Crystal Structure, UV-Vis Adsorption Properties, Photoelectric Behavior, and DFT Computational Study of All-Inorganic and Lead-Free Copper Halide Salt K<sub>2</sub>Cu<sub>2</sub>Cl<sub>6</sub>.","ACS omega","2018","3","10","14021","14026","10.1021/acsomega.8b01337","","","0.71073","MoKα","","0.0467","0.0429","","","0.1081","0.1128","","","","","","0.842","","","","has coordinates","225977","2020-10-21","18:00:00",""
"4515899","10.08","0.0004","17.9664","0.0008","12.4991","0.0006","90","","96.773","0.002","90","","2247.81","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C76 H72 Cl8 Cu4 N16 O24 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0427","0.033","","","0.0826","0.0879","","","","","","1.03","","","","has coordinates","225978","2020-10-21","18:00:00",""
"4515900","10.3783","0.0018","20.893","0.004","10.1906","0.0018","90","","106.224","0.002","90","","2121.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C84 H72 Cl8 Cu4 N20 O8 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0714","0.0452","","","0.1111","0.121","","","","","","1.009","","","","has coordinates","225980","2020-10-21","18:00:00",""
"4515901","10.0431","0.0009","19.9558","0.0019","11.4121","0.0011","90","","111.678","0.003","90","","2125.4","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C76 H72 Cl8 Cu4 N12 O22 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0591","0.0402","","","0.0911","0.1003","","","","","","1.045","","","","has coordinates,has disorder","225981","2020-10-21","18:00:00",""
"4515902","9.7807","0.0016","16.605","0.003","13.616","0.002","90","","90.203","0.002","90","","2211.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C76 H72 Cl16 Cu4 N8 O8 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0659","0.0425","","","0.1","0.11","","","","","","1.042","","","","has coordinates","225982","2020-10-21","18:00:00",""
"4515903","6.9256","0.0003","23.3181","0.001","11.7998","0.0005","90","","103.829","0.002","90","","1850.34","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 Cu N2 O2 -","- C19 H18 Cl2 Cu N2 O2 -","- C76 H72 Cl8 Cu4 N8 O8 -","4","1","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0603","0.0455","","","0.1261","0.138","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515904","13.0575","0.0014","17.6855","0.0019","17.644","0.002","90","","103.694","0.009","90","","3958.7","0.8","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C41 H45 F6 N4 O4 P -","- C41 H45 F6 N4 O4 P -","- C164 H180 F24 N16 O16 P4 -","4","1","","Greenlee, Andrew J.; Ofosu, Charles K.; Xiao, Qifan; Modan, Mohammed M.; Janzen, Daron E.; Cao, Dennis D.","Pyridinium-Functionalized Pyromellitic Diimides with Stabilized Radical Anion States.","ACS omega","2018","3","1","240","245","10.1021/acsomega.7b01887","","","0.71075","MoKα","","0.052","0.0465","","","0.1179","0.1218","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515905","21.969","0.004","17.259","0.003","20.669","0.003","90","","96.021","0.002","90","","7794","2","297","","297","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N3 O5 -","- C19 H25 N3 O5 -","- C304 H400 N48 O80 -","16","2","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1522","0.0643","","","0.1321","0.1639","","","","","","0.995","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515906","7.372","0.002","19.312","0.006","13.785","0.004","90","","105.509","0.003","90","","1891.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O5 -","- C18 H22 Cl N3 O5 -","- C72 H88 Cl4 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1879","0.1322","","","0.4035","0.4392","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515907","17.67","0.03","8.064","0.012","12.926","0.019","90","","102.53","0.02","90","","1798","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C68 H84 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1334","0.0613","","","0.1397","0.1752","","","","","","0.967","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515908","8.3233","0.0015","8.3363","0.0015","17.223","0.003","102.674","0.002","97.734","0.002","98.563","0.002","1135.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F2 N3 O5 -","- C24 H25 F2 N3 O5 -","- C48 H50 F4 N6 O10 -","2","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.0789","0.0515","","","0.151","0.1812","","","","","","1.06","","","","has coordinates,has disorder","225988","2020-10-21","18:00:00",""
"4515909","10.92936","0.00008","12.8033","0.00009","13.37608","0.00011","90","","112.081","0.0009","90","","1734.45","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Leas, Derek A.; Wu, Jianbo; Ezell, Edward L.; Garrison, Jered C.; Vennerstrom, Jonathan L.; Dong, Yuxiang","Formation of 2-Imino Benzo[<i>e</i>]-1,3-oxazin-4-ones from Reactions of Salicylic Acids and Anilines with HATU: Mechanistic and Synthetic Studies.","ACS omega","2018","3","1","781","787","10.1021/acsomega.7b01824","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0806","0.0822","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515910","9.0317","0.0005","10.0478","0.0005","15.5635","0.0008","90","","90","","90","","1412.37","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2OK-1","2OK-1","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.1508","0.1282","","","0.2979","0.3227","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515911","13.4241","0.0006","13.4241","0.0006","7.2863","0.0004","90","","90","","90","","1313.04","0.11","296","2","296","2","","","","","","","","3","P 41","P 4w","76","OK-17","OK-17","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.0765","0.0608","","","0.145","0.1607","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515912","9.2774","0.0003","22.6668","0.0007","9.8223","0.0003","90","","104.891","0.002","90","","1996.15","0.11","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O -","- C26 H22 O -","- C104 H88 O4 -","4","1","","Sahoo, Prakash Kumar; Gawali, Suhas Shahaji; Gunanathan, Chidambaram","Iron-Catalyzed Selective Etherification and Transetherification Reactions Using Alcohols.","ACS omega","2018","3","1","124","136","10.1021/acsomega.7b01705","","","0.71073","MoKα","","0.0606","0.0398","","","0.0953","0.1071","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515913","22.2703","0.0006","15.8902","0.0005","15.2838","0.0005","90","","93.297","0.003","90","","5399.7","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","","1.54184","CuKα","","0.0784","0.0718","","","0.1911","0.1974","","","","","","1.061","","","","has coordinates","225993","2020-10-21","18:00:00",""
"4515914","22.3412","0.0005","15.9121","0.0003","15.4268","0.0004","90","","93.24","0.002","90","","5475.4","0.2","180","0.1","180","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","x-ray","1.54184","CuKα","","0.0777","0.0695","","","0.1954","0.205","","","","","","1.022","","","","has coordinates","225994","2020-10-21","18:00:00",""
"4515915","7.1234","0.0017","7.7506","0.0019","21.457","0.01","90","","90","","90","","1184.7","0.7","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","Methyl (1a<i>S</i>,4a<i>R</i>,5<i>R</i>,7a<i>R</i>)-5-methyl-2-oxo- octahydrocyclopropa[<i>d</i>]indene- 4a-carboxylate","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yadav, Jhillu Singh; Singh, Shweta; Das, Saibal","Stereoselective Total Syntheses of Acutifolone A, Bisacutifolone A and B, Pinguisenol, and Isonaviculol.","ACS omega","2018","3","1","636","647","10.1021/acsomega.7b01513","","","0.7107","MoKα","","0.081","0.0576","","","0.1268","0.1489","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515916","6.45","0.0003","7.2271","0.0004","15.5635","0.0008","100.475","0.004","94.555","0.004","97.516","0.004","703.3","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 F5 O -","- C16 H9 F5 O -","- C32 H18 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0593","0.0417","","","0.1026","0.1138","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515917","6.1612","0.0003","7.4665","0.0004","20.2688","0.0008","89.766","0.004","87.758","0.003","83.16","0.004","925.07","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 F5 O -","- C20 H17 F5 O -","- C40 H34 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0695","0.0531","","","0.1543","0.1709","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515918","12.4697","0.0015","8.9131","0.0011","17.456","0.002","90","","103.685","0.004","90","","1885","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl S -","- C23 H21 Cl S -","- C92 H84 Cl4 S4 -","4","1","","Vu, Minh Duy; Foo, Ce Qing; Sadeer, Abdul; Shand, Sam S.; Li, Yongxin; Pullarkat, Sumod A.","Triflic-Acid-Catalyzed Tandem Allylic Substitution-Cyclization Reaction of Alcohols with Thiophenols-Facile Access to Polysubstituted Thiochromans.","ACS omega","2018","3","8","8945","8951","10.1021/acsomega.8b01305","","","0.71073","MoKα","","0.1155","0.0535","","","0.107","0.1322","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515919","9.3936","0.0017","4.6798","0.0008","17.703","0.003","90","","100.44","0.0019","90","","765.3","0.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 F8 N4 Ni -","- C18 H6 F8 N4 Ni -","- C36 H12 F16 N8 Ni2 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.028","0.0252","","","0.0686","0.0696","","","","","","1.105","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515920","9.457","0.006","4.715","0.003","17.574","0.011","90","","100.787","0.009","90","","769.8","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Cu F8 N4 -","- C18 H6 Cu F8 N4 -","- C36 H12 Cu2 F16 N8 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.0627","0.0521","","","0.1376","0.1446","","","","","","1.237","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515921","13.3372","0.0011","13.4107","0.0011","15.8542","0.0013","66.936","0.001","65.477","0.001","73.256","0.001","2346.9","0.3","201","2","201","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Hg4 N15 O13 -","- C37 H42 Hg4 N15 O13 -","- C74 H84 Hg8 N30 O26 -","2","1","","Lemes, Maykon A.; Stein, Hilarie N.; Gabidullin, Bulat; Steinmann, Stephan N.; Murugesu, Muralee","Tetrazine-Based Ligand Transformation Driving Metal-Metal Bond and Mixed-Valence Hg<sup>I</sup>/Hg<sup>II</sup>.","ACS omega","2018","3","8","10273","10277","10.1021/acsomega.8b01861","","","0.71073","MoKα","","0.0672","0.0388","","","0.089","0.1017","","","","","","0.979","","","","has coordinates","226000","2020-10-21","18:00:00",""
"4515922","16.4068","0.001","21.1877","0.0013","21.5464","0.0014","94.827","0.001","105.616","0.001","110.717","0.001","6612","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H97 Cl N24 O36 -","- C42 H48 Cl N24 O12 -","- C168 H192 Cl4 N96 O48 -","4","2","","Wang, Xin-Xin; Tian, Fei-Yang; Chen, Kai; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang","Hexamethylcucurbit[3,3]uril-Based Porous Supramolecular Assemblies and Their Adsorption Properties.","ACS omega","2018","3","8","9827","9833","10.1021/acsomega.8b00979","","","0.71073","MoKα","","0.1242","0.083","","","0.2332","0.2557","","","","","","1.004","","","","has coordinates","226001","2020-10-21","18:00:00",""
"4515923","10.8505","0.0005","10.467","0.0004","18.8893","0.0009","90","","105.253","0.005","90","","2069.73","0.17","150.03","0.1","150.03","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu2 N6 O18 -","- C40 H34 Cu2 N6 O18 -","- C80 H68 Cu4 N12 O36 -","2","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0787","0.0524","","","0.1027","0.1221","","","","","","1.055","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515924","16.9098","0.001","11.4225","0.0007","10.4825","0.0007","90","","95.3601","0.0017","90","","2015.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N2 O10 -","- C20 H18 Cu N2 O10 -","- C80 H72 Cu4 N8 O40 -","4","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0362","0.0315","","","0.0791","0.0811","","","","","","1.084","","","","has coordinates","226003","2020-10-21","18:00:00",""
"4515925","9.3247","0.0004","8.2469","0.0004","10.8377","0.0005","90","","92.037","0.004","90","","832.89","0.07","140.1","0.5","140","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 -","- C7 H10 N4 -","- C28 H40 N16 -","4","1","","Tinson, Ryan A. J.; Hughes, David L.; Ward, Leanne; Stephenson, G. Richard","Unusual Nucleophilic Addition of Grignard Reagents in the Synthesis of 4-Amino-pyrimidines.","ACS omega","2018","3","8","8937","8944","10.1021/acsomega.8b01137","","","0.71073","Mo-Kα","","0.0672","0.0498","","","0.1379","0.1477","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515926","6.6437","0.0003","9.4377","0.0004","19.9115","0.0008","90","","99.266","0.003","90","","1232.19","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.0717","0.0393","","","0.1076","0.1539","","","","","","1.105","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515927","7.3648","0.0004","12.6013","0.0008","17.9669","0.001","71.88","0.004","86.822","0.004","86.863","0.004","1581.07","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N2 O7 S2 -","- C34 H24 N2 O7 S2 -","- C68 H48 N4 O14 S4 -","2","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.1792","0.0663","","","0.1913","0.276","","","","","","0.753","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4515928","10.8577","0.0002","14.2462","0.0003","13.918","0.0003","90","","111.138","0.001","90","","2007.99","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 O11 -","- C46 H46 N2 O11 -","- C92 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0565","0.0451","","","0.1325","0.1413","","","","","","1.077","","","","has coordinates","226007","2020-10-21","18:00:00",""
"4515929","10.6658","0.0019","14.335","0.003","13.962","0.003","90","","110.1","0.005","90","","2004.7","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N3 O11 -","- C45 H46 N3 O11 -","- C90 H92 N6 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.1195","0.0584","","","0.1414","0.1672","","","","","","0.935","","","","has coordinates","226008","2020-10-21","18:00:00",""
"4515930","10.5721","0.0011","14.2791","0.0015","13.9602","0.0016","90","","109.686","0.002","90","","1984.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N2 O11 -","- C45 H46 N2 O11 -","- C90 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0644","0.0481","","","0.1362","0.1513","","","","","","1.022","","","","has coordinates","226009","2020-10-21","18:00:00",""
"4515931","18.9584","0.001","16.8577","0.0008","14.0096","0.0007","90","","111.553","0.003","90","","4164.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H29 F9 N6 Pt -","- C52 H29 F9 N6 Pt -","- C208 H116 F36 N24 Pt4 -","4","0.5","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.8857","synchrotron","","0.0482","0.0345","","","0.0701","0.0746","","","","","","1.037","","","","has coordinates,has disorder","226010","2020-10-21","18:00:00",""
"4515932","9.4792","0.0015","12.0922","0.0019","16.675","0.003","109.102","0.003","95.415","0.003","90.85","0.003","1795.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H32 N6 Pt -","- C49 H32 N6 Pt -","- C98 H64 N12 Pt2 -","2","1","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.7293","synchrotron","","0.0865","0.0583","","","0.1336","0.1471","","","","","","1.033","","","","has coordinates","226010","2020-10-21","18:00:00",""
"4515933","8.0473","0.0006","11.4044","0.0009","13.7456","0.0011","70.394","0.001","75.041","0.001","79.862","0.001","1142.53","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C48 H60 N4 O8 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0766","0.0656","","","0.1908","0.2023","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515934","8.9744","0.0008","9.5414","0.0009","11.6948","0.001","95.027","0.002","97.388","0.001","96.992","0.001","980.27","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0538","0.0448","","","0.1175","0.124","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515935","7.942","0.005","19.31","0.02","22.77","0.02","90","","90","","90","","3492","5","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I2 N2 O Pt -","- C14 H18 I2 N2 O Pt -","- C112 H144 I16 N16 O8 Pt8 -","8","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0346","0.0329","","","0.1014","0.1024","","","","","","1.104","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515936","11.333","0.004","13.086","0.004","14.249","0.004","90","","94.272","0.007","90","","2107.3","1.1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 I2 N2 O2 Pt -","- C17 H24 I2 N2 O2 Pt -","- C68 H96 I8 N8 O8 Pt4 -","4","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0285","0.0278","","","0.0805","0.0809","","","","","","1.192","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515937","8.361","0.003","8.63","0.004","10.095","0.004","92.018","0.017","113.755","0.014","106.974","0.019","627.9","0.5","163","","163","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","1","0.5","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0462","0.0333","","","0.0637","0.0668","","","","","","1.098","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515938","17.4884","0.0011","7.707","0.0004","16.2535","0.0009","90","","94.034","0.002","90","","2185.3","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl2 O3 -","- C11 H10 Cl2 O3 -","- C88 H80 Cl16 O24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Synthetic Studies toward the Natural Product Tripartin, the First Natural Histone Lysine Demethylase Inhibitor.","ACS omega","2018","3","8","9303","9309","10.1021/acsomega.8b01341","","x-ray","0.71073","MoKα","","0.0522","0.0338","","","0.08","0.0872","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515939","15.002","0.005","8.676","0.003","16.83","0.005","90","","91.384","0.004","90","","2189.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","- C48 H136 B48 N16 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.2098","0.0935","","","0.2134","0.2565","","","","","","1.226","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515940","14.0962","0.0016","10.5765","0.0016","14.3649","0.0013","90","","91.92","0.003","90","","2140.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 B10 N4 -","- C12 H32 B10 N4 -","- C48 H128 B40 N16 -","4","0.5","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1589","0.1059","","","0.2825","0.3247","","","","","","1.041","","","","has coordinates,has disorder","226015","2020-10-21","18:00:00",""
"4515941","9.553","0.0007","28.914","0.002","9.7711","0.0007","90","","116.859","0.004","90","","2407.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 N4 O2 -","- C14 H38 B10 N4 O2 -","- C56 H152 B40 N16 O8 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1342","0.0692","","","0.1311","0.1591","","","","","","1.014","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515942","14.8016","0.0004","12.2438","0.0004","18.4551","0.0005","90","","99.793","0.003","90","","3295.84","0.17","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 B3 Cl6 F6 N4 O3 -","- C27 H21 B3 Cl6 F6 N4 O3 -","- C108 H84 B12 Cl24 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","0.71073","MoKα","","0.0812","0.0569","","","0.1286","0.1421","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515943","11.6042","0.0002","17.3471","0.0003","13.6414","0.0002","90","","90.3913","0.0015","90","","2745.94","0.08","292.7","0.6","292.7","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 B3 F6 N4 O3 -","- C27 H27 B3 F6 N4 O3 -","- C108 H108 B12 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","1.54184","CuKα","","0.0694","0.0624","","","0.1742","0.1835","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515944","8.25787","0.00017","8.7682","0.0003","15.6385","0.0004","96.208","0.002","97.1322","0.0019","108.099","0.002","1054.98","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C58 H42 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","1.54184","CuKα","","0.0712","0.0595","","","0.1713","0.1822","","","","","","1.08","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515945","8.0332","0.0019","8.569","0.002","18.521","0.003","86.059","0.018","79.08","0.018","63.59","0.03","1121","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C62 H50 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","0.71073","MoKα","","0.1321","0.096","","","0.2589","0.2802","","","","","","1.129","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515946","8.5961","0.0001","11.2877","0.0002","12.684","0.0002","110.581","0.001","95.048","0.001","95.743","0.001","1136.33","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N -","- C32 H25 N -","- C64 H50 N2 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","1.54184","CuKα","","0.0476","0.0454","","","0.1367","0.14","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515947","19.4514","0.0014","8.0224","0.0006","14.5787","0.001","90","","99.218","0.006","90","","2245.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C124 H100 N4 O8 -","4","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0566","0.0463","","","0.1214","0.1274","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515948","8.9806","0.0004","11.4991","0.0005","11.998","0.0006","114.199","0.005","96.923","0.004","102.313","0.004","1073.66","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H26 -","- C31 H26 -","- C62 H52 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0563","0.0472","","","0.1297","0.1354","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515949","25.666","0.004","46.332","0.007","8.4689","0.0013","90","","90","","90","","10071","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H34 Cl N O3 -","- C27 H34 Cl N O3 -","- C432 H544 Cl16 N16 O48 -","16","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0702","0.0549","","","0.1042","0.1101","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515950","9.2802","0.0014","14.072","0.002","11.6193","0.0018","90","","90.084","0.002","90","","1517.4","0.4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl N O3 Si -","- C18 H12 Cl N O3 Si -","- C72 H48 Cl4 N4 O12 Si4 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0404","0.0385","","","0.1008","0.1023","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515951","14.414","0.002","14.414","0.002","24.558","0.004","90","","90","","120","","4418.7","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H60 N2 O7 Si2 -","- C54 H60 N2 O7 Si2 -","- C162 H180 N6 O21 Si6 -","3","0.166667","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0452","0.0424","","","0.1153","0.1175","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515952","60.459","0.013","12.913","0.003","16.786","0.004","90","","100.08","0.006","90","","12903","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H39 N O3 Si5 -","- C27 H39 N O3 Si5 -","- C432 H624 N16 O48 Si80 -","16","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0672","0.0513","","","0.1254","0.1339","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515953","19.675","0.004","13.965","0.003","18.335","0.003","90","","92.701","0.003","90","","5032.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H69 N O3 Si10 -","- C37 H69 N O3 Si10 -","- C148 H276 N4 O12 Si40 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.055","0.0487","","","0.1192","0.123","","","","","","1.124","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515954","13.822","0.004","17.584","0.005","20.129","0.005","87.588","0.004","75.904","0.004","70.969","0.004","4482","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N O4 Si5 -","- C40 H65 N O4 Si5 -","- C160 H260 N4 O16 Si20 -","4","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0872","0.0741","","","0.1714","0.177","","","","","","1.133","","","","has coordinates,has disorder","226019","2020-10-21","18:00:00",""
"4515955","14.3849","0.0018","14.3849","0.0018","22.169","0.004","90","","90","","120","","3972.7","1","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H57 N O3 Si5 -","- C36 H57 N O3 Si5 -","- C144 H228 N4 O12 Si20 -","4","0.333333","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0611","0.0599","","","0.1355","0.1361","","","","","","1.261","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515956","13.19","0.05","16.96","0.06","20.32","0.07","90","","90","","90","","4546","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","NRM018","NRM018","","- C26 H17 N3 O5 -","- C26 H17 N3 O5 -","- C208 H136 N24 O40 -","8","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0803","0.0546","","","0.1261","0.141","","","","","","1.086","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515957","13.399","0.019","10.904","0.014","16.85","0.02","90","","112.68","0.02","90","","2271","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRM010","NRM010","","- C26 H16 Br2 N2 O3 -","- C26 H16 Br2 N2 O3 -","- C104 H64 Br8 N8 O12 -","4","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0597","0.0348","","","0.0755","0.0839","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515958","7.661","0.0005","7.8138","0.0004","23.4172","0.0019","90","","90","","90","","1401.79","0.16","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N4 O2 S -","- C12 H16 N4 O2 S -","- C48 H64 N16 O8 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.081","0.0769","","","0.2093","0.2168","","","","","","1.113","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515959","10.0167","0.0003","7.5935","0.0002","12.506","0.0003","90","","107.618","0.003","90","","906.61","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O3 S -","- C15 H24 N4 O3 S -","- C30 H48 N8 O6 S2 -","2","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.0695","0.0601","","","0.1955","0.1999","","","","","","1.251","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515960","19.453","0.002","7.6077","0.0005","13.2277","0.0007","90","","90","","90","","1957.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","0.71073","MoKα","","0.0512","0.0433","","","0.098","0.1034","","","","","","1.04","","","","has coordinates,has disorder","226024","2020-10-21","18:00:00",""
"4515961","11.561","0.002","20.663","0.004","28.603","0.005","99.883","0.006","90.591","0.006","94.939","0.006","6704","2","153","","153.03","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O2 -","- C46 H38 O2 -","- C368 H304 O16 -","8","4","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.067","0.0638","","","0.1875","0.1912","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4515962","51.797","0.003","51.797","0.003","6.5592","0.0004","90","","90","","120","","15240.2","1.6","153","2","153","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C828 H612 O36 -","18","1","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.0644","0.0522","","","0.1448","0.1545","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515963","13.8545","0.0016","8.0296","0.0009","23.616","0.003","90","","99.037","0.002","90","","2594.6","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H65 B Cl7 Co N9 O3 -","- C44 H65 B Cl7 Co N9 O3 -","- C88 H130 B2 Cl14 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.0951","0.0568","","","0.106","0.121","","","","","","1.011","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515964","10.867","0.0014","10.9382","0.0014","22.644","0.003","90.95","0.003","103.366","0.003","116.98","0.003","2310.7","0.5","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H66 B Cl Co N6 O7 -","- C48 H66 B Cl Co N6 O7 -","- C96 H132 B2 Cl2 Co2 N12 O14 -","2","2","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.113","0.0616","","","0.1161","0.1356","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515965","9.384","0.005","11.242","0.005","9.451","0.005","90","","118.112","0.006","90","","879.4","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RS163B","","","- C20 H24 N O P -","- C20 H24 N O P -","- C40 H48 N2 O2 P2 -","2","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","0.71073","MoKα","","0.1153","0.0742","","","0.1501","0.1855","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515966","9.4402","0.0005","15.011","0.0008","15.5913","0.0008","90","","90","","90","","2209.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","R1","","","- C20 H28 Cl N O P Sn -","- C20 H28 Cl N O P Sn -","- C80 H112 Cl4 N4 O4 P4 Sn4 -","4","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","1.54178","CuKα","","0.0473","0.0435","","","0.1106","0.1161","","","","","","1.066","","","","has coordinates","226030","2020-10-21","18:00:00",""
"4515967","7.8531","0.0005","7.4811","0.0004","34.767","0.002","90","","91.88","0.003","90","","2041.5","0.2","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMAP","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Kim, Sonam; Lee, Hyuck Jin; Nam, Eunju; Jeong, Donghyun; Cho, Jaeheung; Lim, Mi Hee; You, Youngmin","Tailoring Hydrophobic Interactions between Probes and Amyloid-β Peptides for Fluorescent Monitoring of Amyloid-β Aggregation.","ACS omega","2018","3","5","5141","5154","10.1021/acsomega.8b00286","","","0.71073","MoKa","","0.1092","0.0752","","","0.1237","0.1347","","","","","","1.174","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515968","9.8032","0.0002","10.2942","0.0003","32.2199","0.0008","84.987","0.001","82.061","0.001","79.035","0.001","3155.3","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 F2 N2 -","- C27 H18 F2 N2 -","- C162 H108 F12 N12 -","6","3","","Adak, Anirban; Panda, Tamas; Raveendran, Anju; Bejoymohandas, Kochan Sathyaseelan; Asha, K. S.; Prakasham, A. P.; Mukhopadhyay, Balaram; Panda, Manas K.","Distinct Mechanoresponsive Luminescence, Thermochromism, Vapochromism, and Chlorine Gas Sensing by a Solid-State Organic Emitter.","ACS omega","2018","3","5","5291","5300","10.1021/acsomega.8b00250","","","0.71073","MoKα","","0.1529","0.0539","","","0.1244","0.1686","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515969","8.1549","0.0007","14.3911","0.0012","16.5026","0.0012","90","","90","","90","","1936.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C88 H112 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0814","0.0451","","","0.0867","0.1005","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515970","6.8071","0.0017","23.863","0.006","11.839","0.003","90","","106.646","0.006","90","","1842.5","0.8","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0611","0.0424","","","0.0951","0.1054","","","","","","1.0451","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515971","13.9951","0.0007","14.273","0.0008","17.845","0.001","111.769","0.002","91.652","0.002","90.047","0.002","3308.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H28.36 Cl8 Cu I7.64 N7 -","- C64 H28.3603 Cl8 Cu I7.6397 N7 -","- C128 H56.7206 Cl16 Cu2 I15.2794 N14 -","2","1","","Thomassen, Ivar K.; McCormick, Laura J.; Ghosh, Abhik","Synthesis and Molecular Structure of a Copper Octaiodocorrole.","ACS omega","2018","3","5","5106","5110","10.1021/acsomega.8b00616","","","0.7288","synchrotron","","0.0596","0.0399","","","0.0693","0.0741","","","","","","1.158","","","","has coordinates,has disorder","226035","2020-10-21","18:00:00",""
"4515972","9.3213","0.0009","10.4713","0.0009","13.69","0.0012","74.53","0.003","72.545","0.003","75.112","0.003","1205.56","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C60 H58 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0962","0.0552","","","0.1264","0.1437","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515973","10.7035","0.0008","11.4095","0.0009","14.0481","0.001","73.172","0.002","79.467","0.002","69.183","0.002","1528.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 N O2 -","- C40 H33 N O2 -","- C80 H66 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0921","0.0543","","","0.1196","0.1353","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515974","10.5416","0.0008","12.2467","0.0009","14.2079","0.0011","68.214","0.002","81.502","0.003","69.115","0.002","1591.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl N O2 -","- C40 H32 Cl N O2 -","- C80 H64 Cl2 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.2065","0.0792","","","0.1654","0.2081","","","","","","1.008","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515975","11.358","0.0005","17.3299","0.0008","14.9918","0.0007","90","","104.821","0.0014","90","","2852.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 F N O3 -","- C34 H36 F N O3 -","- C136 H144 F4 N4 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0912","0.0511","","","0.1167","0.1337","","","","","","1.025","","","","has coordinates,has disorder","226036","2020-10-21","18:00:00",""
"4515976","10.1699","0.0012","11.6903","0.0014","12.6092","0.0014","96.819","0.004","108.525","0.003","113.464","0.003","1251","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O4 -","- C32 H23 N O4 -","- C64 H46 N2 O8 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.1023","0.0518","","","0.1099","0.1287","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515977","10.7169","0.0009","14.4134","0.0012","13.8384","0.0011","90","","100.691","0.0015","90","","2100.5","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H34 Br N Ni P2 -","- C16 H34 Br N Ni P2 -","- C64 H136 Br4 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0338","0.0285","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515978","8.6545","0.0008","10.983","0.0009","23.2849","0.0019","90","","90.049","0.003","90","","2213.3","0.3","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Br2 N Ni P2 -","- C16 H37 Br2 N Ni P2 -","- C64 H148 Br8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0889","0.0543","","","0.0902","0.1","","","","","","1.002","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515979","10.0515","0.0004","12.4032","0.0005","18.8698","0.0007","90","","96.8592","0.0013","90","","2335.67","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N Ni P2 -","- C22 H41 N Ni P2 -","- C88 H164 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0308","0.0251","","","0.0582","0.0617","","","","","","1.081","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515980","10.1178","0.0005","12.3184","0.0006","18.8095","0.0009","90","","96.5365","0.0008","90","","2329.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 N Ni P2 -","- C22 H39 N Ni P2 -","- C88 H156 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0422","0.03","","","0.0716","0.0777","","","","","","1.026","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515981","8.0453","0.0007","26.962","0.002","11.6488","0.001","90","","94.268","0.003","90","","2519.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Br N Ni P2 -","- C22 H42 Br N Ni P2 -","- C88 H168 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0594","0.0398","","","0.0875","0.0953","","","","","","1.025","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515982","8.5129","0.0011","14.7798","0.0019","10.922","0.0014","90","","98.3608","0.0019","90","","1359.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H42 F6 N Ni P3 -","- C22 H42 F6 N Ni P3 -","- C44 H84 F12 N2 Ni2 P6 -","2","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0486","0.0429","","","0.1141","0.1185","","","","","","1.031","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515983","23.872","0.003","12.8733","0.0014","32.405","0.003","90","","102.298","0.003","90","","9729.9","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 B N Ni O1.5 P2 -","- C52 H74 B N Ni O1.5 P2 -","- C416 H592 B8 N8 Ni8 O12 P16 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0749","0.045","","","0.1041","0.1173","","","","","","1.01","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515984","32.1922","0.0009","15.3802","0.0004","17.2936","0.0005","90","","119.352","0.001","90","","7463.2","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C272 H340 Cl16 D96 N8 Ni12 O2 P16 -","4","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.54178","CuKα","","0.0449","0.0396","","","0.1051","0.1098","","","","","","1.019","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515985","7.5986","0.0004","8.7665","0.0005","17.3743","0.0009","76.1042","0.0019","85.058","0.002","67.0003","0.0018","1034.14","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H39 N Ni P2 -","- C17 H39 N Ni P2 -","- C34 H78 N2 Ni2 P4 -","2","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.058","0.0364","","","0.0644","0.0726","","","","","","1.072","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515986","12.6037","0.0007","8.7388","0.0006","19.9677","0.0012","90","","99.276","0.002","90","","2170.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Cl N Ni P2 -","- C17 H40 Cl N Ni P2 -","- C68 H160 Cl4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0362","0.0267","","","0.0617","0.066","","","","","","1.068","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515987","12.7823","0.0007","8.7196","0.0005","20.1343","0.001","90","","99.226","0.002","90","","2215.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Br N Ni P2 -","- C17 H40 Br N Ni P2 -","- C68 H160 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0319","0.0251","","","0.0605","0.0634","","","","","","1.027","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515988","17.6124","0.0013","12.9737","0.001","18.4955","0.0013","90","","112.686","0.0013","90","","3899.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 B N Ni P2 -","- C41 H60 B N Ni P2 -","- C164 H240 B4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0325","0.0288","","","0.068","0.0699","","","","","","1.06","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515989","8.7102","0.0003","10.8084","0.0004","22.818","0.0007","90","","90.016","0.001","90","","2148.16","0.13","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Cl2 N Ni P2 -","- C16 H37 Cl2 N Ni P2 -","- C64 H148 Cl8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0235","0.0211","","","0.0471","0.0485","","","","","","1.049","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515990","18.8225","0.0005","18.8225","0.0005","8.3226","0.0003","90","","90","","90","","2948.58","0.15","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C12 H21 I N2 Ni -","- C12 H21 I N2 Ni -","- C96 H168 I8 N16 Ni8 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0245","0.0189","","","0.0389","0.0411","","","","","","1.067","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515991","29.3277","0.0014","21.7233","0.0018","15.2203","0.0005","90","","103.351","0.004","90","","9434.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Eu2 N12 O12 -","- C48 H31 Eu2 N12 O12 -","- C192 H124 Eu8 N48 O48 -","4","1","","Yao, Jin; Zhao, Yan-Wu; Zhang, Xian-Ming","Breathing Europium-Terbium Co-doped Luminescent MOF as a Broad-Range Ratiometric Thermometer with a Contrasting Temperature-Intensity Relationship.","ACS omega","2018","3","5","5754","5760","10.1021/acsomega.8b00199","","","0.71073","MoKα","","0.1917","0.1499","","","0.3856","0.4087","","","","","","1.161","","","","has coordinates","226038","2020-10-21","18:00:00",""
"4515992","12.9768","0.0012","15.5079","0.0015","23.549","0.002","90","","96.737","0.001","90","","4706.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Y4 -","- C64 H100 N8 Ni4 O36 Y4 -","- C128 H200 N16 Ni8 O72 Y8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.092","0.0457","","","0.0959","0.1098","","","","","","1.012","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515993","12.8381","0.0006","15.4317","0.0006","23.4889","0.001","90","","96.593","0.003","90","","4622.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Gd4 N8 Ni4 O36 -","- C64 H100 Gd4 N8 Ni4 O36 -","- C128 H200 Gd8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0464","0.037","","","0.0985","0.1032","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515994","12.9219","0.0008","15.516","0.001","23.5346","0.0013","90","","96.576","0.003","90","","4687.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Tb4 -","- C64 H100 N8 Ni4 O36 Tb4 -","- C128 H200 N16 Ni8 O72 Tb8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.09","0.052","","","0.1333","0.1574","","","","","","1.058","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515995","12.832","0.003","15.413","0.003","23.419","0.005","90","","96.765","0.004","90","","4599.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Dy4 N8 Ni4 O36 -","- C64 H100 Dy4 N8 Ni4 O36 -","- C128 H200 Dy8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0702","0.0484","","","0.1129","0.1313","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515996","12.9771","0.0007","15.5019","0.0008","23.5655","0.0013","90","","96.714","0.003","90","","4708.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Ho4 N8 Ni4 O36 -","- C64 H100 Ho4 N8 Ni4 O36 -","- C128 H200 Ho8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0542","0.0357","","","0.0757","0.0831","","","","","","0.978","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515997","12.9222","0.0003","15.4758","0.0003","23.4658","0.0004","90","","96.601","0.001","90","","4661.61","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Er4 N8 Ni4 O36 -","- C64 H100 Er4 N8 Ni4 O36 -","- C128 H200 Er8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0844","0.043","","","0.0977","0.1159","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515998","7.72","0.004","8.727","0.005","11.731","0.006","82.547","0.013","79.592","0.013","67.366","0.012","715.9","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 S -","- C13 H18 N4 S -","- C26 H36 N8 S2 -","2","1","","Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah","Iodine-Catalyzed Chemoselective Hydroamination Reaction Using 5-Mercaptotetrazoles Derivatives.","ACS omega","2018","3","5","4908","4917","10.1021/acsomega.8b00499","","x-ray","0.71073","MoKα","","0.1661","0.0424","","","0.1198","0.1286","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4515999","17.0948","0.0003","7.0396","0.0001","17.6526","0.0003","90","","91.814","0.001","90","","2123.26","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Au B Cl P -","- C21 H30 Au B Cl P -","- C84 H120 Au4 B4 Cl4 P4 -","4","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0399","0.0347","","","0.0788","0.0824","","","","","","1.065","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516000","28.3351","0.0008","11.3935","0.0003","27.095","0.0007","90","","112.237","0.003","90","","8096.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 Au B2 Cl P2 -","- C42 H60 Au B2 Cl P2 -","- C336 H480 Au8 B16 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0428","0.0319","","","0.0672","0.0728","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516001","19.0712","0.0008","18.7238","0.0007","23.2135","0.001","90","","90","","90","","8289.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H57 Au B Cl P2 -","- C44 H57 Au B Cl P2 -","- C352 H456 Au8 B8 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0464","0.0272","","","0.049","0.056","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516002","11.398","0.003","13.023","0.003","18.513","0.004","100.166","0.004","103.867","0.004","110.924","0.004","2385.6","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Ag2 Br4 N4 -","- C40 H40 Ag2 Br4 N4 -","- C80 H80 Ag4 Br8 N8 -","2","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.1238","0.0855","","","0.2535","0.2918","","","","","","1.049","","","","has coordinates","226043","2020-10-21","18:00:00",""
"4516003","8.4181","0.0006","29.944","0.002","15.6855","0.0009","90","","108.026","0.003","90","","3759.8","0.4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Ag2 Br2 Cl2 N6 -","- C39 H38 Ag2 Br2 Cl2 N6 -","- C156 H152 Ag8 Br8 Cl8 N24 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0795","0.0748","","","0.1795","0.1822","","","","","","1.034","","","","has coordinates,has disorder","226044","2020-10-21","18:00:00",""
"4516004","13.0472","0.001","12.5773","0.001","18.2141","0.0015","90","","90.564","0.001","90","","2988.8","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Ag2 Br2 N4 -","- C32 H34 Ag2 Br2 N4 -","- C128 H136 Ag8 Br8 N16 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0423","0.0314","","","0.0733","0.0782","","","","","","1.04","","","","has coordinates","226045","2020-10-21","18:00:00",""
"4516005","20.0687","0.0014","8.9504","0.0006","18.1404","0.0013","90","","106.464","0.001","90","","3124.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl4 N4 Pd2 -","- C30 H34 Cl4 N4 Pd2 -","- C120 H136 Cl16 N16 Pd8 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0451","0.04","","","0.1128","0.1166","","","","","","1.096","","","","has coordinates","226046","2020-10-21","18:00:00",""
"4516006","6.2327","0.0003","10.6629","0.0006","27.47","0.0013","90","","90","","90","","1825.62","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Nandi, Sujay Kumar; Maji, Krishnendu; Haldar, Debasish","Self-Healing Hydrogel from a Dipeptide and HCl Sensing.","ACS omega","2018","3","4","3744","3751","10.1021/acsomega.8b00358","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1173","0.1231","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516007","20.8293","0.0005","7.7968","0.0001","22.183","0.0005","90","","113.025","0.003","90","","3315.56","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N10 O10 -","- C32 H32 N10 O10 -","- C128 H128 N40 O40 -","4","1","","Havel, Václav; Sadilová, Tereza; Šindelář, Vladimír","Unsubstituted Bambusurils: Post-Macrocyclization Modification of Versatile Intermediates.","ACS omega","2018","3","4","4657","4663","10.1021/acsomega.8b00497","","","0.71073","MoKα","","0.0539","0.0389","","","0.0946","0.1031","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516008","7.2243","0.001","8.0299","0.0011","9.8872","0.0013","110.099","0.002","90.348","0.002","98.938","0.002","531","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H5 F3 N4 S -","- C10 H5 F3 N4 S -","- C20 H10 F6 N8 S2 -","2","1","","Liu, Jin; Wang, Yu-Ling; Zhang, Ji-Hong; Yang, Jian-Shan; Mou, Han-Chuan; Lin, Jun; Yan, Sheng-Jiao","Phosphatase CDC25B Inhibitors Produced by Basic Alumina-Supported One-Pot Gram-Scale Synthesis of Fluorinated 2-Alkylthio-4-aminoquinazolines Using Microwave Irradiation.","ACS omega","2018","3","4","4534","4544","10.1021/acsomega.8b00640","","","0.71073","MoKα","","0.0503","0.0355","","","0.0928","0.1094","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516009","6.07198","0.00018","26.2431","0.0007","11.6359","0.0003","90","","96.071","0.002","90","","1843.75","0.09","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C92 H72 N16 O8 -","4","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Imidation of 7-Deazapurines.","ACS omega","2018","3","4","4674","4678","10.1021/acsomega.8b00520","","x-ray","1.54184","CuKα","","0.047","0.0414","","0.0547","0.0481","0.0481","","","","","","1.1098","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516010","5.2108","0.0003","17.0359","0.001","21.6439","0.0013","98.767","0.001","92.401","0.001","94.199","0.001","1891.05","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 Co1.5 N6 -","- C48 H54 Co1.5 N6 -","- C96 H108 Co3 N12 -","2","1","","Koide, Taro; Aritome, Isao; Saeki, Tatsuya; Morita, Yoshitsugu; Shiota, Yoshihito; Yoshizawa, Kazunari; Shimakoshi, Hisashi; Hisaeda, Yoshio","Cobalt-Carbon Bond Formation Reaction via Ligand Reduction of Porphycene-Cobalt(II) Complex and Its Noninnocent Reactivity.","ACS omega","2018","3","4","4027","4034","10.1021/acsomega.8b00239","","","0.71073","MoKα","","0.0823","0.0468","","","0.0798","0.0902","","","","","","1.007","","","","has coordinates","226051","2020-10-21","18:00:00",""
"4516011","23.6733","0.0017","18.9166","0.0013","17.611","0.0013","90","","109.708","0.003","90","","7424.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Cu2 N8 O14 -","- C72 H68 Cu2 N8 O14 -","- C288 H272 Cu8 N32 O56 -","4","1","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1643","0.104","","","0.2757","0.2958","","","","","","0.961","","","","has coordinates,has disorder","226052","2020-10-21","18:00:00",""
"4516012","44.8511","0.001","19.046","0.0004","14.7115","0.0003","90","","102.38","0.001","90","","12274.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H100 Cu4 N12 O37 -","- C112 H100 Cu4 N12 O37 -","- C448 H400 Cu16 N48 O148 -","4","0.5","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1148","0.068","","","0.1871","0.217","","","","","","1.034","","","","has coordinates,has disorder","226053","2020-10-21","18:00:00",""
"4516013","32.6621","0.0015","21.5252","0.001","19.0566","0.0009","90","","90","","90","","13397.9","1.1","173","","173","0.3","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- H81.32 K12.87 O150.66 P5 W30 -","- K12.866 O150.662 P5 W30 -","- K51.464 O602.648 P20 W120 -","4","0.5","","Hayashi, Akio; Wihadi, Muh Nur Khoiru; Ota, Hiromi; López, Xavier; Ichihashi, Katsuya; Nishihara, Sadafumi; Inoue, Katsuya; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative.","ACS omega","2018","3","2","2363","2373","10.1021/acsomega.8b00163","","","0.71073","MoKα","","0.0331","0.0229","","","0.0482","0.0522","","","","","","1.073","","","","has coordinates,has disorder","226054","2020-10-21","18:00:00",""
"4516014","12.43","0.004","9.127","0.003","21.477","0.007","90","","90.584","0.008","90","","2436.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N0 O3 S -","- C27 H32 O3 S -","- C108 H128 O12 S4 -","4","1","","Liu, Teng; Liu, Jianjun; Xia, Shubiao; Meng, Jie; Shen, Xianfu; Zhu, Xiufang; Chen, Wenchang; Sun, Chengke; Cheng, Feixiang","Catalyst-Free 1,6-Conjugate Addition/Aromatization/Sulfonylation of <i>para</i>-Quinone Methides: Facile Access to Diarylmethyl Sulfones.","ACS omega","2018","3","2","1409","1415","10.1021/acsomega.7b01745","","","0.71073","MoKα","","0.2008","0.0744","","","0.2006","0.2529","","","","","","1.025","","","","has coordinates","226055","2020-10-21","18:00:00",""
"4516015","15.7722","0.001","8.8439","0.0007","23.3357","0.0012","90","","128.255","0.003","90","","2556.1","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 F3 N3 O3 S -","- C29 H22 F3 N3 O3 S -","- C116 H88 F12 N12 O12 S4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1052","0.0584","","","0.1032","0.1181","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516016","14.831","0.002","8.5492","0.0013","18.749","0.002","90","","104.09","0.006","90","","2305.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl F6 N3 P Rh -","- C20 H26 Cl F6 N3 P Rh -","- C80 H104 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.0345","0.0308","","","0.0793","0.0817","","","","","","1.019","","","","has coordinates","226057","2020-10-21","18:00:00",""
"4516017","24.1002","0.001","15.1276","0.0006","13.5007","0.0006","90","","116.068","0.002","90","","4421.4","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 F6 N3 P -","- C24 H22 F6 N3 P -","- C192 H176 F48 N24 P8 -","8","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1074","0.0688","","","0.1862","0.2046","","","","","","1.313","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516018","9.1839","0.0012","27.796","0.004","9.7373","0.0013","90","","94.388","0.004","90","","2478.4","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl F6 N3 P Rh -","- C24 H28 Cl F6 N3 P Rh -","- C96 H112 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1078","0.0779","","","0.1589","0.1709","","","","","","1.116","","","","has coordinates","226059","2020-10-21","18:00:00",""
"4516019","11.612","0.0003","13.3307","0.0004","13.8927","0.0005","62.692","0.003","85.611","0.002","70.196","0.003","1789.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 N4 O Ru -","- C36 H48 Cl2 N4 O Ru -","- C72 H96 Cl4 N8 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0243","0.0222","","","0.0526","0.0534","","","","","","1.045","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516020","11.04197","0.00015","13.3361","0.0003","13.4517","0.0003","69.6572","0.0018","83.3894","0.0013","82.6029","0.0013","1836.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl5 N3 O Ru -","- C34 H44 Cl5 N3 O Ru -","- C68 H88 Cl10 N6 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0459","0.0418","","","0.1011","0.1036","","","","","","1.037","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516021","9.9088","0.0002","11.7379","0.0002","14.6956","0.0003","109.254","0.0019","99.6774","0.0018","107.508","0.0018","1469.48","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N3 O2 Ru -","- C30 H39 Cl2 N3 O2 Ru -","- C60 H78 Cl4 N6 O4 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0293","0.0248","","","0.0599","0.0616","","","","","","1.043","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516022","9.8105","0.0003","15.9779","0.0003","14.0138","0.0004","90","","106.163","0.003","90","","2109.85","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Ag2 N6 O2 -","- C46 H56 Ag2 N6 O2 -","- C92 H112 Ag4 N12 O4 -","2","0.5","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","x-ray","0.71073","MoKα","","0.0287","0.0272","","","0.0715","0.0723","","","","","","1.056","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516023","11.585","0.0009","11.6149","0.0011","13.2151","0.0012","99.42","0.002","113.923","0.004","103.89","0.003","1508.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N2 O7 S2 -","- C33 H28 N2 O7 S2 -","- C66 H56 N4 O14 S4 -","2","1","","Wang, Ai-Fang; Hao, Wen-Juan; Zhu, Yi-Long; Li, Guigen; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Double SO<sub>2</sub> Insertion into 1,7-Diynes Leading to Functionalized Naphtho[1,2-<i>c</i>]thiophene 2,2-dioxides.","ACS omega","2018","3","2","1482","1491","10.1021/acsomega.7b01789","","","0.71073","MoKα","","0.1491","0.0647","","","0.1491","0.1827","","","","","","0.833","","","","has coordinates,has disorder","226061","2020-10-21","18:00:00",""
"4516024","8.6965","0.0017","13.393","0.003","21.541","0.004","90","","95.392","0.003","90","","2497.8","0.9","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 Cl2 N3 Pd -","- C25 H33 Cl2 N3 Pd -","- C100 H132 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71075","MoKα","","0.0289","0.026","","","0.0651","0.0668","","","","","","1.052","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516025","14.7426","0.0006","8.5735","0.0003","19.6079","0.0008","90","","90","","90","","2478.35","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H31 Cl2 N3 Pd -","- C24 H31 Cl2 N3 Pd -","- C96 H124 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0973","0.0522","","","0.0875","0.1029","","","","","","1.005","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516026","8.6515","0.0002","13.5074","0.0003","21.4232","0.0006","90","","98.636","0.003","90","","2475.12","0.11","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N3 O Pd -","- C24 H31 Cl2 N3 O Pd -","- C96 H124 Cl8 N12 O4 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0413","0.0337","","","0.0716","0.0771","","","","","","1.077","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516027","8.5727","0.0003","9.0053","0.0004","26.1687","0.001","90","","90","","90","","2020.22","0.14","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N O4 -","- C22 H30 Cl N O4 -","- C88 H120 Cl4 N4 O16 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0664","0.0646","","0.1817","0.1801","0.1817","","","","","","1.0212","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516028","7.8673","0.0002","9.5188","0.0002","26.3409","0.0005","90","","90","","90","","1972.6","0.08","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.488 H33.976 N O3 -","- C21.489 H33.976 N O3 -","- C85.956 H135.904 N4 O12 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0324","0.0313","","0.0785","0.0776","0.0785","","","","","","1.0016","","","","has coordinates","226064","2020-10-21","18:00:00",""
"4516029","8.3874","0.0003","10.6644","0.0006","13.5952","0.0007","69.268","0.005","89.374","0.004","71.779","0.004","1073.44","0.1","150","","150","","","","","","","","local","4","P 1","P 1","1","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.047","0.0465","","0.1294","0.1287","0.1294","","","","","","1.0188","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516030","7.4614","0.0001","9.6133","0.0001","28.5458","0.0002","90","","90","","90","","2047.55","0.04","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C84 H128 Cl4 N4 O8 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0241","0.0236","","0.0613","0.0609","0.0613","","","","","","1.0098","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516031","9.0105","0.0001","13.7999","0.0001","33.4435","0.0002","90","","90","","90","","4158.5","0.06","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O4 -","- C22 H32 Cl N O4 -","- C176 H256 Cl8 N8 O32 -","8","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0342","0.0329","","0.0825","0.0818","0.0825","","","","","","1.0279","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516032","12.707","0.0006","18.741","0.001","19.0369","0.0008","90","","90","","90","","4533.5","0.4","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H70 N2 O8 -","- C46 H70 N2 O8 -","- C184 H280 N8 O32 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0913","0.067","","0.1712","0.1562","0.1712","","","","","","0.9869","","","","has coordinates","226068","2020-10-21","18:00:00",""
"4516033","10.1135","0.0003","8.7052","0.0001","11.4139","0.0003","90","","113.189","0.003","90","","923.7","0.04","150","","150","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl N O2 -","- C21 H30 Cl N O2 -","- C42 H60 Cl2 N2 O4 -","2","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0314","0.0307","","0.084","0.0831","0.084","","","","","","1.0051","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516034","20.5724","0.0006","9.8586","0.0003","9.7866","0.0003","90","","97.143","0.003","90","","1969.47","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O5 -","- C21 H20 Cl N3 O5 -","- C84 H80 Cl4 N12 O20 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0997","0.0677","","","0.1684","0.1989","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516035","21.344","0.0009","9.9544","0.0004","17.4685","0.0008","90","","102.041","0.004","90","","3629.8","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Cl2 N6 O8 -","- C37 H40 Cl2 N6 O8 -","- C148 H160 Cl8 N24 O32 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0712","0.0571","","","0.138","0.1475","","","","","","1.077","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4516036","9.2238","0.0002","12.4815","0.0002","17.0725","0.0003","86.285","0.001","89.375","0.002","82.224","0.002","1943.33","0.06","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cl2 N6 O10 -","- C40 H42 Cl2 N6 O10 -","- C80 H84 Cl4 N12 O20 -","2","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1095","0.1188","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516037","15.721","0.0002","19.4546","0.0003","25.7568","0.0004","90","","97.94","0.002","90","","7802.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl2 N6 O11 -","- C38 H48 Cl2 N6 O11 -","- C304 H384 Cl16 N48 O88 -","8","2","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.1405","0.0699","","","0.1711","0.2243","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516038","11.085","0.003","16.394","0.005","17.644","0.005","71.995","0.013","83.901","0.012","83.563","0.013","3021.4","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22.75 H23 Cl2 Fe N12 O12.75 -","- C22.75 H20 Cl2 Fe N12 O12.75 -","- C91 H80 Cl8 Fe4 N48 O51 -","4","2","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.1395","0.0731","","","0.1603","0.1887","","","","","","1.034","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516039","9.678","0.003","9.79","0.003","16.669","0.005","85.581","0.015","80.683","0.016","81.201","0.015","1538","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 Br2 Cl2 Fe N6 O13 -","- C23 H20 Br2 Cl2 Fe N6 O13 -","- C46 H40 Br4 Cl4 Fe2 N12 O26 -","2","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0481","0.0438","","","0.1016","0.1038","","","","","","1.104","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516040","14.284","0.002","15.268","0.003","17.484","0.003","90","","90","","90","","3813.1","1.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N8 O14 -","- C34 H36 Cl2 Fe N8 O14 -","- C136 H144 Cl8 Fe4 N32 O56 -","4","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0659","0.0495","","","0.1163","0.1241","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516041","10.4074","0.0003","8.6512","0.0003","18.1328","0.0006","90","","101.926","0.003","90","","1597.37","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 F6 O6 Pt S2 -","- C8 H12 F6 O6 Pt S2 -","- C32 H48 F24 O24 Pt4 S8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0211","0.0194","","","0.042","0.0427","","","","","","1.137","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516042","17.013","0.0007","8.5689","0.0003","16.9747","0.0008","90","","105.959","0.005","90","","2379.24","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F3 N3 O5 -","- C24 H24 F3 N3 O5 -","- C96 H96 F12 N12 O20 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0569","0.0519","","","0.1231","0.1264","","","","","","1.065","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516043","12.0242","0.0007","13.0156","0.0007","14.2406","0.001","91.582","0.005","102.85","0.005","102.152","0.005","2117.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H49 Cl N6 O2 Pt -","- C47 H48 Cl N6 O2 Pt -","- C94 H96 Cl2 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0414","0.0342","","","0.0792","0.0826","","","","","","1.059","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516044","12.8497","0.0003","13.011","0.0004","14.5696","0.0004","113.345","0.003","91.507","0.002","100.935","0.002","2181.88","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H45 F3 N6 O2 Pt -","- C46 H42 F3 N6 O2 Pt -","- C92 H84 F6 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0417","0.0323","","","0.0771","0.081","","","","","","1.05","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516045","20.2522","0.0007","8.1634","0.0003","15.925","0.0005","90","","94.862","0.003","90","","2623.36","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F3 N3 O3 Pt S -","- C26 H28 F3 N3 O3 Pt S -","- C104 H112 F12 N12 O12 Pt4 S4 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0547","0.0491","","","0.0988","0.1011","","","","","","1.182","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516046","20.8435","0.0006","7.8008","0.0002","34.8632","0.0011","90","","90","","90","","5668.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H28 F3 N3 O6 Pt S -","- C26 H28 F3 N3 O6 Pt S -","- C208 H224 F24 N24 O48 Pt8 S8 -","8","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0658","0.0564","","","0.0933","0.0959","","","","","","1.31","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516047","11.2411","0.001","13.8079","0.0013","14.6138","0.0014","90.265","0.005","106.81","0.004","109.349","0.004","2036","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Cl2 N6 Pt -","- C44 H46 Cl2 N6 Pt -","- C88 H92 Cl4 N12 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0863","0.0569","","","0.1382","0.1574","","","","","","1.038","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516048","9.7792","0.0003","18.2967","0.0005","11.3037","0.0003","90","","98.915","0.003","90","","1998.1","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 N6 Pt2 -","- C44 H36 Cl2 N6 Pt2 -","- C88 H72 Cl4 N12 Pt4 -","2","0.5","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0431","0.0377","","","0.0853","0.0878","","","","","","1.189","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516049","11.4693","0.0003","15.1911","0.0003","16.1768","0.0003","99.025","0.001","105.146","0.002","106.101","0.002","2532.71","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H64 Cl2 N6 Pt2 -","- C57 H52 Cl2 N6 Pt2 -","- C114 H104 Cl4 N12 Pt4 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.052","0.034","","","0.0777","0.0861","","","","","","1.071","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516050","12.3755","0.0004","18.4144","0.0005","22.6884","0.0007","90","","94.834","0.003","90","","5152","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H46 Cl2 F6 N6 O4 Pt2 -","- C49 H40 Cl2 F6 N6 O4 Pt2 -","- C196 H160 Cl8 F24 N24 O16 Pt8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0695","0.0463","","","0.0793","0.0876","","","","","","1.041","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516051","20.463","0.002","8.8637","0.0009","14.0198","0.0014","90","","111.426","0.003","90","","2367.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N11 O4 -","- C25 H17 N11 O4 -","- C100 H68 N44 O16 -","4","0.5","","De, Avik; Mondal, Raju","Toxic Metal Sequestration Exploiting a Unprecedented Low-Molecular-Weight Hydrogel-to-Metallogel Transformation.","ACS omega","2018","3","6","6022","6030","10.1021/acsomega.8b00758","","","0.71073","MoKα","","0.1414","0.0591","","","0.1253","0.1614","","","","","","0.945","","","","has coordinates","226076","2020-10-21","18:00:00",""
"4516052","7.1699","0.0004","20.7822","0.001","12.9758","0.0007","90","","102.72","0.005","90","","1886.02","0.18","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Cl N4 O4 -","- C19 H14 Ag Cl N4 O4 -","- C76 H56 Ag4 Cl4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0644","0.0356","","","0.0722","0.0862","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516053","12.3045","0.0005","14.5456","0.0007","21.5645","0.0008","90","","97.044","0.004","90","","3830.4","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H17 Ag N4 O4 -","- C20 H17 Ag N4 O4 -","- C160 H136 Ag8 N32 O32 -","8","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0515","0.0337","","","0.0592","0.0648","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516054","9.0545","0.0002","9.0558","0.0002","21.896","0.0005","90","","91.239","0.002","90","","1794.96","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Ag N4 O4 -","- C19 H15 Ag N4 O4 -","- C76 H60 Ag4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0458","0.0289","","","0.0501","0.0571","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516055","10.275","0.002","9.5886","0.0018","14.718","0.003","90","","97.405","0.003","90","","1438","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0746","0.045","","","0.1147","0.129","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516056","11.496","","12.24","","13.457","","79.41","","67.16","","71.68","","1652.5","","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 F N2 O6 -","- C29 H33 F N2 O6 -","- C58 H66 F2 N4 O12 -","2","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0729","0.0472","","","0.1184","0.1286","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516057","8.7813","0.0011","8.4703","0.0011","24.136","0.003","90","","93.158","0.002","90","","1792.5","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F3 N O5 -","- C16 H22 F3 N O5 -","- C64 H88 F12 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.1088","0.0587","","","0.1487","0.1776","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516058","11.1233","0.0011","16.7726","0.0016","12.5093","0.0013","90","","114.965","0.002","90","","2115.8","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N O4 -","- C25 H26 F N O4 -","- C100 H104 F4 N4 O16 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0964","0.0486","","","0.1009","0.1223","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516059","10.612","0.005","17.232","0.008","21.162","0.01","88.192","0.007","87.296","0.007","79.182","0.007","3796","3","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Val-Val-Aib)4-OMe.3MeOH","","- C63.5 H118 N12 O16.5 -","- C63.5 H118 N12 O16.5 -","- C127 H236 N24 O33 -","2","2","","Tsuji, Genichiro; Misawa, Takashi; Doi, Mitsunobu; Demizu, Yosuke","Extent of Helical Induction Caused by Introducing α-Aminoisobutyric Acid into an Oligovaline Sequence.","ACS omega","2018","3","6","6395","6399","10.1021/acsomega.8b01030","","","0.71073","MoKα","","0.145","0.0922","","","0.2264","0.2515","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516060","13.572","0.004","9.116","0.002","21.854","0.006","90","","103.824","0.003","90","","2625.5","1.2","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 N Nb O3 -","- C24 H36 Cl2 N Nb O3 -","- C96 H144 Cl8 N4 Nb4 O12 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","","0.0246","","","","0.0585","","","","","","1.062","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516061","9.9108","0.0003","12.5655","0.0005","13.0149","0.0005","95.967","0.003","101.025","0.003","106.341","0.003","1505.05","0.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 N Nb O3 -","- C30 H32 Cl2 N Nb O3 -","- C60 H64 Cl4 N2 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.033","0.0275","","","0.0702","0.0733","","","","","","1.013","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516062","15.469","0.003","10.6814","0.0019","24.897","0.004","90","","93.169","0.005","90","","4107.5","1.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 Cl2 N3 Nb O -","- C39 H64 Cl2 N3 Nb O -","- C156 H256 Cl8 N12 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0769","0.0495","","","0.1186","0.1291","","","","","","1.103","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516063","12.5502","0.0004","14.0719","0.0005","23.5634","0.0009","89.366","0.003","88.443","0.003","75.219","0.003","4022.2","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 N3 Nb O -","- C40 H66 N3 Nb O -","- C160 H264 N12 Nb4 O4 -","4","2","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.1584","0.1366","","","0.3099","0.3184","","","","","","1.251","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516064","11.3778","0.0005","12.9307","0.0005","18.995","0.0006","86.879","0.003","81.525","0.003","77.672","0.003","2699.58","0.18","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H55 F15 N3 Nb O3 -","- C45 H55 F15 N3 Nb O3 -","- C90 H110 F30 N6 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0723","0.0643","","","0.1972","0.2013","","","","","","1.043","","","","has coordinates,has disorder","301843","2025-08-21","01:58:46",""
"4516065","11.7181","0.0003","18.3197","0.0005","20.1982","0.0005","90","","91.823","0.002","90","","4333.79","0.19","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H64 F9 N4 Nb O -","- C39 H64 F9 N4 Nb O -","- C156 H256 F36 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.0387","0.034","","","0.0862","0.089","","","","","","1.07","","","","has coordinates,has disorder","226085","2020-10-21","18:00:00",""
"4516066","17.905","0.003","12.0354","0.0015","19.691","0.003","90","","115.352","0.002","90","","3834.6","1","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 F12 N3 Nb O2 -","- C32 H48 F12 N3 Nb O2 -","- C128 H192 F48 N12 Nb4 O8 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0374","0.0313","","","0.0853","0.0946","","","","","","1","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516067","11.903","0.003","18.13","0.005","20.798","0.006","90","","104.299","0.005","90","","4349","2","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H64 F5 N4 Nb O -","- C41 H64 F5 N4 Nb O -","- C164 H256 F20 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.1009","0.0736","","","0.1896","0.2163","","","","","","1.058","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516068","27.6738","0.0003","10.7124","0.0002","24.3659","0.0003","90","","94.188","0.001","90","","7204.05","0.18","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Er2 N6 O18 -","- C72 H78 Al2 Er2 N6 O18 -","- C288 H312 Al8 Er8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","1.54184","CuKα","","0.0243","0.0216","","","0.0508","0.0526","","","","","","1.069","","","","has coordinates","226086","2020-10-21","18:00:00",""
"4516069","28.6269","0.0007","10.5683","0.0003","24.3695","0.0005","90","","94.926","0.002","90","","7345.5","0.3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Er2 Fe2 N6 O18 -","- C72 H78 Er2 Fe2 N6 O18 -","- C288 H312 Er8 Fe8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","0.71073","MoKα","","0.0307","0.0249","","","0.0476","0.0497","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516070","15.0669","0.0004","12.2725","0.0003","15.5128","0.0004","90","","90.079","0.002","90","","2868.45","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Br O Ti -","- C14 H19 Br O Ti -","- C112 H152 Br8 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0618","0.0485","","","0.1165","0.1285","","","","","","0.986","","","","has coordinates,has disorder","226088","2020-10-21","18:00:00",""
"4516071","15.01162","0.00013","11.84446","0.00011","15.51368","0.00015","90","","90","","90","","2758.4","0.04","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl O Ti -","- C14 H19 Cl O Ti -","- C112 H152 Cl8 O8 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.0593","0.0599","","","","","","1.05","","","","has coordinates","226089","2020-10-21","18:00:00",""
"4516072","12.9173","0.0002","16.12491","0.00019","12.6854","0.0002","90","","111.141","0.002","90","","2464.41","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br2 O Ti -","- C9 H14 Br2 O Ti -","- C72 H112 Br16 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0322","0.0312","","","0.0812","0.0824","","","","","","1.083","","","","has coordinates","226090","2020-10-21","18:00:00",""
"4516073","12.489","0.0003","11.4556","0.0002","14.6289","0.0003","90","","90","","90","","2092.94","0.08","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C87.28 H101.84 Cl8.72 O7.28 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0319","0.0266","","","0.0635","0.0659","","","","","","1.054","","","","has coordinates,has disorder","226091","2020-10-21","18:00:00",""
"4516074","7.9901","0.0004","17.6571","0.0009","7.9779","0.0004","90","","90.444","0.005","90","","1125.5","0.1","100","0.19","100","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O Ti -","- C12 H15 Cl O Ti -","- C48 H60 Cl4 O4 Ti4 -","4","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0482","0.0476","","","0.1298","0.1304","","","","","","1.161","","","","has coordinates","226092","2020-10-21","18:00:00",""
"4516075","13.089","0.0008","10.6775","0.0006","9.3276","0.0006","90","","90","","90","","1303.6","0.14","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H17 Cl O Ti -","- C13 H17 Cl O Ti -","- C52 H68 Cl4 O4 Ti4 -","4","0.5","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0713","0.0601","","","0.1394","0.1461","","","","","","1.154","","","","has coordinates,has disorder","226093","2020-10-21","18:00:00",""
"4516076","7.9674","0.0002","8.6081","0.0003","10.2555","0.0003","87.587","0.001","76.718","0.001","67.665","0.001","632.4","0.03","299","","299.25","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F N O2 -","- C16 H10 F N O2 -","- C32 H20 F2 N2 O4 -","2","1","","Saraiah, Bonagiri; Gautam, Vibha; Acharya, Anand; Pasha, Mohamed Afzal; Ila, Hiriyakkanavar","One-Pot Synthesis of 2-(Het)aryl/alkyl-3-cyanobenzofurans from 2-(2-Bromoaryl)-3-(het)aryl-3-(methylthio)acrylonitriles and Benzyl Carbamate.","ACS omega","2018","3","7","8355","8364","10.1021/acsomega.8b01172","","","0.71073","MoKα","","0.1023","0.0598","","","0.1402","0.1579","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516077","13.7647","0.0003","13.7647","0.0003","20.651","0.0009","90","","90","","90","","3912.7","0.2","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C160 H192 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0495","0.0463","","","0.1272","0.132","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516078","8.4665","0.0006","10.312","0.0007","11.9037","0.0006","100.24","0.005","103.121","0.005","103.246","0.006","955.83","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0865","0.0675","","","0.1599","0.1709","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516079","13.8204","0.0017","7.1084","0.0007","24.264","0.004","90","","105.34","0.014","90","","2298.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C80 H104 Cl8 N32 O8 -","8","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0578","0.0472","","","0.121","0.1304","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516080","14.9349","0.0004","14.9349","0.0004","20.242","0.0006","90","","90","","90","","4515","0.2","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C11 H14 N4 O -","- C11 H14 N4 O -","- C176 H224 N64 O16 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0634","0.0481","","","0.132","0.1477","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516081","8.6523","0.0004","11.7604","0.0007","12.8395","0.0006","75.686","0.004","82.561","0.004","71.602","0.004","1199.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 N4 -","- C12 H16 N4 -","- C48 H64 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","","0.71073","MoKα","","0.0657","0.0513","","","0.1277","0.1384","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516082","14.81904","0.00015","14.81904","0.00015","20.4674","0.0004","90","","90","","90","","4494.72","0.11","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C192 H224 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0437","0.0382","","","0.0926","0.0975","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516083","9.7088","0.0013","11.3662","0.0015","14.8567","0.0019","90","","97.069","0.002","90","","1627","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Salfeena, Chettiyan Thodi F.; Jalaja, Renjitha; Davis, Rincy; Suresh, Eringathodi; Somappa, Sasidhar B.","Synthesis of 1,2,4-Trisubstituted-(1<i>H</i>)-imidazoles through Cu(OTf)<sub>2</sub>-/I<sub>2</sub>-Catalyzed C-C Bond Cleavage of Chalcones and Benzylamines.","ACS omega","2018","3","7","8074","8082","10.1021/acsomega.8b01017","","","0.71073","MoKα","","0.0461","0.0386","","","0.0989","0.1026","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516084","19.3428","0.0005","6.4501","0.0002","28.2467","0.0007","90","","90","","90","","3524.14","0.17","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H16 O13 -","- C17 H12 O13 -","- C136 H96 O104 -","8","2","","Tokutomi, Hisashi; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Molecular Structure of the Photo-Oxidation Product of Ellagic Acid in Solution.","ACS omega","2018","3","9","11179","11183","10.1021/acsomega.8b01716","","","1.54187","CuKα","","0.1435","0.0898","","","0.2192","0.2584","","","","","","1.033","","","","has coordinates","226097","2020-10-21","18:00:00",""
"4516085","28.322","0.002","28.322","0.002","9.9011","0.001","90","","90","","120","","6878","1","295.15","","295","2","","","","","","","","7","R 3 :H","R 3","146","(pyridine)(acetonitrile)3-Ru(II)-phenyloxazoline","","","- C26.67 H27 F6 N5.33 O P Ru -","- C26.66 H26 F6 N5.33 O P Ru -","- C239.94 H234 F54 N47.97 O9 P9 Ru9 -","9","1","","Nakagawa, Yoko; Imokawa, Yusuke; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Chanthamath, Soda; Shibatomi, Kazutaka; Iwasa, Seiji","Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions.","ACS omega","2018","3","9","11286","11289","10.1021/acsomega.8b01510","","x-ray","0.71069","MoKα","","0.0637","0.0534","","","0.1327","0.1438","","","","","","1.079","","","","has coordinates","226098","2020-10-21","18:00:00",""
"4516086","15.9559","0.0008","20.5495","0.0009","9.8687","0.0004","90","","105.489","0.003","90","","3118.3","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C152 H104 N8 O24 Zn4 -","4","2","","Dutta, Basudeb; Dey, Arka; Maity, Suvendu; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Supramolecular Assembly of a Zn(II)-Based 1D Coordination Polymer through Hydrogen Bonding and π···π Interactions: Crystal Structure and Device Applications.","ACS omega","2018","3","9","12060","12067","10.1021/acsomega.8b01924","","","0.71073","MoKα","","0.115","0.0691","","","0.1574","0.1818","","","","","","1.033","","","","has coordinates","226099","2020-10-21","18:00:00",""
"4516087","6.79795","0.00018","9.9618","0.0003","12.8161","0.0004","90","","98.897","0.007","90","","857.46","0.05","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Chennapuram, Madhu; Owolabi, Isiaka Alade; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Takeshita, Mitsuhiro; Nakano, Hiroto","New Hybrid-type Squaramide-Fused Amino Alcohol Organocatalyst for Enantioselective Domino Michael Addition/Cyclization Reaction of Oxoindolines with Cyclic 1,3-Diketones.","ACS omega","2018","3","9","11718","11726","10.1021/acsomega.8b01271","","","1.54187","CuKα","","0.041","0.0409","","","0.109","0.1092","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516088","12.6496","0.0017","9.9333","0.0013","19.755","0.003","90","","100.395","0.002","90","","2441.5","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","2","","Bai, Hairui; Liu, Fujun; Wang, Xiaojing; Wang, Ping; Huang, Chao","Three-Component One-Pot Approach to Highly Efficient and Sustainable Synthesis of the Functionalized Quinolones via Linear/Branched Domino Protocols, Key Synthetic Methods for the Floxacin of Quinolone Drugs.","ACS omega","2018","3","9","11233","11251","10.1021/acsomega.8b01378","","","0.71073","MoKα","","0.1162","0.0539","","","0.114","0.1408","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516089","20.1803","0.0008","6.2496","0.0003","17.1447","0.0008","90","","100.701","0.002","90","","2124.67","0.17","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","[Ni2(Hhissal)2(adi)(H2O)2].8H2O","","","- C32 H56 N6 Ni2 O20 -","- C32 H56 N6 Ni2 O20 -","- C64 H112 N12 Ni4 O40 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Encapsulation of a Water Octamer Chain in a Chiral 2D Sheetlike Supramolecular Coordination Network Composed of Dinickel-Dicarboxylate Subunits.","ACS omega","2018","3","9","11062","11070","10.1021/acsomega.8b01355","","","0.71073","MoKα","","0.051","0.0431","","","0.1181","0.1306","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516090","14.2494","0.0006","15.1062","0.0007","17.1323","0.0007","90","","101.223","0.003","90","","3617.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl2 O2 S2 Ti -","- C36 H48 Cl2 O2 S2 Ti -","- C144 H192 Cl8 O8 S8 Ti4 -","4","1","","Lapenta, Rosita; Buonerba, Antonio; Luciano, Ermanno; Della Monica, Francesco; De Nisi, Assunta; Monari, Magda; Grassi, Alfonso; Capacchione, Carmine; Milione, Stefano","Phenylene-Bridged OSSO-Type Titanium Complexes in the Polymerization of Ethylene and Propylene.","ACS omega","2018","3","9","11608","11616","10.1021/acsomega.8b01550","","","0.71073","MoKα","","0.1723","0.0581","","","0.083","0.1099","","","","","","1.109","","","","has coordinates","226103","2020-10-21","18:00:00",""
"4516091","19.755","0.005","13.633","0.004","24.145","0.007","90","","103.603","0.003","90","","6320","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C256 H160 Cl8 O48 P8 Re8 S16 -","4","1","","Procopio, Elsa Quartapelle; Dova, Davide; Cauteruccio, Silvia; Forni, Alessandra; Licandro, Emanuela; Panigati, Monica","Dirhenium Coordination Complex Endowed with an Intrinsically Chiral Helical-Shaped Diphosphine Oxide.","ACS omega","2018","3","9","11649","11654","10.1021/acsomega.8b01290","","","0.71073","MoKα","","0.0939","0.0564","","","0.1284","0.156","","","","","","1.155","","","","has coordinates","226104","2020-10-21","18:00:00",""
"4516092","25.524","0.005","13.835","0.003","9.914","0.002","90","","90","","90","","3500.9","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C168 H184 N24 O8 -","8","1","","Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng","Ultrasensitive Colorimetric and Ratiometric Detection of Cu<sup>2+</sup>: Acid-Base Properties, Complexation, and Binding Studies.","ACS omega","2018","3","9","10471","10480","10.1021/acsomega.8b01483","","","0.71073","MoKα","","0.0644","0.053","","","0.1353","0.144","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516093","6.898","0.0004","8.2874","0.0005","9.6802","0.0006","79.149","0.003","69.618","0.003","83.152","0.003","508.6","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","1","0.5","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0418","0.0364","","","0.1023","0.1062","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516094","12.6435","0.0009","12.8892","0.0009","13.5633","0.0009","65.757","0.003","76.834","0.003","81.409","0.004","1958.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H51 Mo2 N6 O10 -","- C35 H51 Mo2 N6 O10 -","- C70 H102 Mo4 N12 O20 -","2","1","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0646","0.0456","","","0.1398","0.1619","","","","","","1.094","","","","has coordinates","226107","2020-10-21","18:00:00",""
"4516095","14.6664","0.0012","10.081","0.0006","40.221","0.002","90","","97.759","0.007","90","","5892.3","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H29 I N O4 -","- C35 H30 I N O3 -","- C280 H240 I8 N8 O24 -","8","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.0664","0.049","","","0.1282","0.1439","","","","","","1.026","","","","has coordinates","226108","2020-10-21","18:00:00",""
"4516096","15.8788","0.0008","9.357","0.0004","21.2905","0.0009","90","","92.12","0.004","90","","3161.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 I N2 O -","- C36 H27 I N2 O -","- C144 H108 I4 N8 O4 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.1362","0.0746","","","0.1787","0.2304","","","","","","0.995","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516097","11.5071","0.0018","38.741","0.005","9.4077","0.0014","90","","113.662","0.006","90","","3841.3","1","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 I N2 O2 -","- C48 H37 I N2 O2 -","- C192 H148 I4 N8 O8 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","0.71073","MoKα","","0.0556","0.0409","","","0.0914","0.0976","","","","","","0.992","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516098","10.653","0.0005","19.224","0.0008","17.802","0.0008","90","","93.951","0.002","90","","3637.1","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C134 H164 B4 Cl8 F16 N8 O8 Ru4 -","2","0.5","","César, Vincent; Mallardo, Valentina; Nano, Adela; DePeter, Sadie F.; Bastin, Stéphanie; Sournia-Saquet, Alix; Maisse-François, Aline; Lugan, Noël; Bellemin-Laponnaz, Stéphane","Homo- and Heteropolymetallic Complexes of the Hybrid, Ambidentate N-Heterocyclic Carbene Ligand IMes-acac.","ACS omega","2018","3","11","15582","15591","10.1021/acsomega.8b02268","","x-ray","0.71073","MoKα","","0.0494","0.0454","","","0.1279","0.1322","","","","","","1.161","","","","has coordinates,has disorder","226111","2020-10-21","18:00:00",""
"4516099","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1921","0.1082","","","0.3217","0.3627","","","","","","0.999","","","","has coordinates","226112","2020-10-21","18:00:00",""
"4516100","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.0857","0.0622","","","0.1435","0.1533","","","","","","1.144","","","","has coordinates","226114","2020-10-21","18:00:00",""
"4516101","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C0 H0 Cs2 Hg N0 O0 S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.086","0.0626","","","0.1594","0.1731","","","","","","1.046","","","","has coordinates","226115","2020-10-21","18:00:00",""
"4516102","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1928","0.1042","","","0.214","0.2323","","","","","","1.233","","","","has coordinates","226116","2020-10-21","18:00:00",""
"4516103","11.9267","0.0015","15.095","0.002","17.872","0.002","108.373","0.002","105.652","0.002","101.258","0.002","2798.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 S8 Si4 -","- C46 H46 Cl6 S8 Si4 -","- C92 H92 Cl12 S16 Si8 -","2","1","","Li, Bingbing; Zhang, Sheng; Li, Lu; Ma, Zhiying; Li, Chunli; Xu, Li; Wang, Hua","All-Thiophene-Based Double Helix: Synthesis, Crystal Structure, Chiroptical Property and Arylation.","ACS omega","2018","3","11","16014","16020","10.1021/acsomega.8b02492","","","0.71073","MoKα","","0.0855","0.0658","","","0.1598","0.1708","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516104","8.804","0.0004","14.0866","0.0007","11.5559","0.0006","90","","111.296","0.001","90","","1335.28","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Cu3 I6 N3 -","- C15 H18 Cu3 I6 N3 -","- C30 H36 Cu6 I12 N6 -","2","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.029","0.0225","","","0.0454","0.0478","","","","","","1.042","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516105","13.9901","0.001","10.819","0.0008","24.0532","0.0017","90","","99.243","0.001","90","","3593.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cu6 I8 N3 -","- C18 H27 Cu6 I8 N3 -","- C72 H108 Cu24 I32 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0356","","","0.0853","0.0886","","","","","","1.151","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516106","10.455","0.0003","26.2454","0.0008","23.854","0.0007","90","","97.093","0.002","90","","6495.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Cu10 I14 N4 -","- C36 H56 Cu10 I14 N4 -","- C144 H224 Cu40 I56 N16 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.0372","0.0336","","","0.0892","0.0913","","","","","","1.007","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516107","33.6214","0.0015","10.7706","0.0005","25.1921","0.0012","90","","124.618","0.001","90","","7507.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H75 Cu10 I14 N5 -","- C46 H75 Cu10 I14 N5 -","- C184 H300 Cu40 I56 N20 -","4","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0342","","","0.0876","0.0937","","","","","","1.038","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516108","14.4604","0.001","10.8225","0.0007","25.1937","0.0017","90","","106.194","0.001","90","","3786.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl2 Cu5 I7 N3 -","- C20 H29 Cl2 Cu5 I7 N3 -","- C80 H116 Cl8 Cu20 I28 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0322","0.0284","","","0.0668","0.0684","","","","","","1.034","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516109","28.346","0.003","11.4404","0.0012","24.058","0.002","90","","106.029","0.002","90","","7498.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br2 Cu5 I7 N3 -","- C20 H29 Br2 Cu5 I7 N3 -","- C160 H232 Br16 Cu40 I56 N24 -","8","2","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0292","0.0248","","","0.0506","0.0517","","","","","","1.198","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516110","9.1888","0.0004","11.3217","0.0005","16.2778","0.0007","73.591","0.001","77.461","0.001","87.998","0.001","1585.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cu3 I7 N2 -","- C18 H26 Cu3 I7 N2 -","- C36 H52 Cu6 I14 N4 -","2","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0159","0.0148","","","0.0366","0.0371","","","","","","1.082","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516111","14.1523","0.0014","10.6793","0.0011","25.264","0.003","90","","104.984","0.002","90","","3688.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cu5 I7 N5 -","- C22 H29 Cu5 I7 N5 -","- C88 H116 Cu20 I28 N20 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0256","0.0242","","","0.0522","0.0526","","","","","","1.264","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516112","36.7069","0.0009","10.6697","0.0003","24.9824","0.0006","90","","129.192","0.001","90","","7583.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C168 H268 Cu40 I56 N20 O16 -","8","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.04","0.0356","","","0.0878","0.0907","","","","","","1.023","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516113","9.14864","0.00016","11.5032","0.0002","15.6073","0.0003","72.6495","0.0016","81.6726","0.0015","72.6336","0.0016","1493.48","0.05","200","0.14","200","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Cl N3 Pd -","- C34 H28 Br2 Cl N3 Pd -","- C68 H56 Br4 Cl2 N6 Pd2 -","2","1","","Mollar-Cuni, Andrés; Ventura-Espinosa, David; Martín, Santiago; Mayoral, Álvaro; Borja, Pilar; Mata, Jose A.","Stabilization of Nanoparticles Produced by Hydrogenation of Palladium-N-Heterocyclic Carbene Complexes on the Surface of Graphene and Implications in Catalysis.","ACS omega","2018","3","11","15217","15228","10.1021/acsomega.8b02193","","x-ray","0.71073","MoKα","","0.0335","0.0268","","","0.0654","0.07","","","","","","1.051","","","","has coordinates","226119","2020-10-21","18:00:00",""
"4516114","12.8106","0.0004","12.8106","0.0004","30.5131","0.001","90","","90","","90","","5007.5","0.3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H40 Co F12 N8 O8 P2 -","- C48 H40 Co F12 N8 O8 P2 -","- C192 H160 Co4 F48 N32 O32 P8 -","4","0.25","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.037","0.0295","","","0.0647","0.0688","","","","","","1.053","","","","has coordinates","226120","2020-10-21","18:00:00",""
"4516115","28.0797","0.0009","13.4393","0.0004","25.3112","0.0008","90","","103.746","0.002","90","","9278.2","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C280 H240 Cl16 Co8 F96 N48 O32 P16 -","8","1","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.1171","0.0775","","","0.2463","0.2832","","","","","","1.006","","","","has coordinates","226121","2020-10-21","18:00:00",""
"4516116","7.5725","0.0006","11.9171","0.0008","24.932","0.002","90","","90","","90","","2249.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Mn N4 O10 -","- C22 H14 Mn N4 O10 -","- C88 H56 Mn4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.0604","0.0593","","","0.217","0.22","","","","","","1.056","","","","has coordinates","226122","2020-10-21","18:00:00",""
"4516117","7.4271","0.0015","11.953","0.003","24.759","0.004","90","","90","","90","","2198","0.8","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Co N4 O10 -","- C22 H14 Co N4 O10 -","- C88 H56 Co4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1639","0.0663","","","0.1668","0.252","","","","","","1.061","","","","has coordinates","226123","2020-10-21","18:00:00",""
"4516118","10.0616","0.0005","10.8559","0.0006","26.2066","0.0015","90","","97.322","0.002","90","","2839.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 Co2 N10 O10 -","- C55 H47 Co2 N10 O10 -","- C110 H94 Co4 N20 O20 -","2","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1245","0.0699","","","0.1859","0.2333","","","","","","1.101","","","","has coordinates","226124","2020-10-21","18:00:00",""
"4516119","8.9867","0.0015","9.0117","0.0015","14.865","0.003","99.135","0.003","106.863","0.004","90.159","0.003","1136","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O -","- C30 H27 N O -","- C60 H54 N2 O2 -","2","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.067","0.0475","","","0.1221","0.1346","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516120","4.6994","0.0003","11.1712","0.0006","25.7495","0.0017","90","","90","","90","","1351.8","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.0436","0.0381","","","0.0921","0.0965","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516121","14.1735","0.0005","14.6182","0.0005","17.4983","0.0005","110.609","0.001","92.046","0.002","100.845","0.002","3312.32","0.19","100","2","100","2","","","","","","","","10","P 1","P 1","1","A-rxn1 - 2016AN001ANP01","","","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C110 H108 B2 Br2 Cl18 F8 N10 O18 P4 Pd2 -","2","2","","Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana","N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity.","ACS omega","2018","3","11","15653","15656","10.1021/acsomega.8b02387","","","0.71073","MoKα","","0.0759","0.0485","","","0.1092","0.1211","","","","","","1.029","","","","has coordinates,has disorder","226127","2020-10-21","18:00:00",""
"4516122","16.9414","0.0006","17.1524","0.0006","17.6605","0.0005","90","","109.597","0.002","90","","4834.6","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Mohamady, Samy; Kralt, Braden; Samwel, Shery K.; Taylor, Scott D.","Efficient One-Pot, Two-Component Modular Synthesis of 3,5-Disubstituted Pyrazoles.","ACS omega","2018","3","11","15566","15574","10.1021/acsomega.8b02304","","","0.71073","MoKα","","0.1472","0.0524","","","0.0773","0.091","","","","","","1.011","","","","has coordinates","226128","2020-10-21","18:00:00",""
"4516123","15.6529","0.0009","9.5364","0.0006","23.3615","0.0014","90","","90","","90","","3487.2","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1055","0.0798","","","0.2569","0.2848","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516124","16.3607","0.0005","8.454","0.0003","22.5078","0.0007","90","","90","","90","","3113.13","0.18","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1413","0.0628","","","0.1456","0.192","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516125","13.9836","0.0003","20.8953","0.0004","11.0131","0.0002","90","","103.717","0.002","90","","3126.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C156 H84 Fe4 N32 O8 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0282","0.0232","","","0.0602","0.0632","","","","","","1.051","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516126","11.7126","0.0003","11.7544","0.0003","12.9014","0.0003","108.604","0.002","101.649","0.002","105.849","0.002","1535.85","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C78 H42 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0545","","","","","","1.082","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516127","10.3737","0.0003","11.6856","0.0003","16.95","0.0004","90.491","0.002","91.962","0.002","98.758","0.002","2029.38","0.09","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H33 Cl Fe N8 O2 Sn -","- C47 H33 Cl Fe N8 O2 Sn -","- C94 H66 Cl2 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0631","0.0661","","","","","","1.034","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516128","11.6681","0.0006","16.5135","0.0008","16.9193","0.001","66.775","0.005","86.024","0.005","79.263","0.004","2943.4","0.3","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H47 Cl4 Fe N8 O2 Sn -","- C72 H47 Cl4 Fe N8 O2 Sn -","- C144 H94 Cl8 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.1555","0.0915","","","0.1994","0.2393","","","","","","1.027","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516129","11.2634","0.0004","11.312","0.0004","14.9929","0.0005","90.824","0.003","91.078","0.003","97.186","0.003","1894.66","0.11","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H33 Fe N4 O2 Sn -","- C51 H33 Fe N4 O2 Sn -","- C102 H66 Fe2 N8 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0326","0.0312","","","0.0779","0.0791","","","","","","1.062","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516130","13.977","0.0002","21.1365","0.0002","11.0927","0.0001","90","","105.033","0.001","90","","3164.91","0.06","150","2","150","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe In N8 O2 -","- C39 H21 Fe In N8 O2 -","- C156 H84 Fe4 In4 N32 O8 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0328","0.0253","","","0.0628","0.0664","","","","","","1.042","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516131","24.6695","0.0014","18.6531","0.001","20.3858","0.0011","90","","90","","90","","9380.8","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-(mu2-azide)-bis(perchlorate)-di-copper(ii) perchlorate hydrate","","","- C32 H63 Cl3 Cu2 N11 O12.5 -","- C32 H62 Cl3 Cu2 N11 O12.5 -","- C256 H496 Cl24 Cu16 N88 O100 -","8","1","","Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco","Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex.","ACS omega","2018","3","11","15692","15701","10.1021/acsomega.8b01710","","","0.7107","MoKα","","0.0966","0.0777","","","0.2285","0.2609","","","","","","1.034","","","","has coordinates,has disorder","226132","2020-10-21","18:00:00",""
"4516132","12.7702","0.0017","28.911","0.003","5.2268","0.0006","90","","90","","90","","1929.7","0.4","293","2","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C92 H72 N24 -","4","1","","Banerji, Biswadip; Chandrasekhar, Kadaiahgari; Sreenath, Kancham; Roy, Saheli; Nag, Sayoni; Saha, Krishna Das","Synthesis of Triazole-Substituted Quinazoline Hybrids for Anticancer Activity and a Lead Compound as the EGFR Blocker and ROS Inducer Agent.","ACS omega","2018","3","11","16134","16142","10.1021/acsomega.8b01960","","","0.71073","MoKα","","0.1005","0.041","","","0.0853","0.1004","","","","","","0.96","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516133","15.833","0.0005","6.44809","0.00019","15.5345","0.0005","90","","90.5223","0.0015","90","","1585.89","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(9H-pyreno[4,5-d]imidazol-10-yl)benzaldehyde","","- C24 H14 N2 O -","- C24 H14 N2 O -","- C96 H56 N8 O4 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0549","0.0521","","","0.1573","0.1617","","","","","","1.107","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516134","13.7747","0.0002","8.1613","0.0001","22.0303","0.0003","90","","102.249","0.0007","90","","2420.25","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0446","0.0402","","","0.1154","0.1191","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516135","13.4961","0.0007","7.3977","0.0003","17.2981","0.0009","90","","108.456","0.006","90","","1638.22","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl2 Cu2 N6 P2 -","- C34 H32 Cl2 Cu2 N6 P2 -","- C68 H64 Cl4 Cu4 N12 P4 -","2","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0272","0.0255","","","0.0678","0.0687","","","","","","1.045","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516136","13.4532","0.0006","7.4445","0.0002","17.5935","0.0008","90","","106.285","0.004","90","","1691.34","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br Cu N3 P -","- C17 H16 Br Cu N3 P -","- C68 H64 Br4 Cu4 N12 P4 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","","0.71073","MoKα","","0.0312","0.0268","","","0.0649","0.0677","","","","","","1.034","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516137","9.636","0.0002","10.2333","0.0003","12.8232","0.0003","69.01","0.002","81.979","0.002","71.386","0.002","1118.36","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0496","0.0513","","","","","","1.051","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516138","9.3162","0.0003","18.1124","0.0007","23.9326","0.0009","90","","90","","90","","4038.4","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C144 H128 Ag8 F24 N24 O24 P8 S8 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0387","0.0342","","","0.0725","0.0743","","","","","","1.061","","","","has coordinates,has disorder","226136","2020-10-21","18:00:00",""
"4516139","9.3737","0.0006","10.3726","0.0006","11.0196","0.0008","108.252","0.006","102.115","0.006","110.351","0.005","890.77","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0999","0.0779","","","0.2136","0.2468","","","","","","0.932","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516140","19.4767","0.0007","8.5915","0.0003","20.9829","0.0006","90","","96.19","0.003","90","","3490.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Au Cl N3 P -","- C17 H16 Au Cl N3 P -","- C136 H128 Au8 Cl8 N24 P8 -","8","2","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0333","0.0273","","","0.0578","0.0609","","","","","","1.043","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516141","11.9962","0.0003","14.6765","0.0004","13.8899","0.0004","90","","93.394","0.002","90","","2441.2","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","","0.71073","MoKα","","0.0605","0.0323","","","0.0542","0.0602","","","","","","0.95","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516142","11.997","0.002","14.728","0.003","13.94","0.003","90","","93.44","0.03","90","","2458.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","x-ray","0.63","synchrotron","","0.0483","0.0371","","","0.084","0.0884","","","","","","0.955","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516143","15.127","0.0017","9.2725","0.001","15.5544","0.0017","90","","109.256","0.001","90","","2059.7","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 F2 I O2 S -","- C22 H13 F2 I O2 S -","- C88 H52 F8 I4 O8 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0352","0.032","","","0.0771","0.0795","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516144","17.286","0.002","8.3835","0.0011","14.2909","0.0019","90","","90","","90","","2071","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H17 I O3 S -","- C22 H17 I O3 S -","- C88 H68 I4 O12 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0408","0.0383","","","0.0912","0.0937","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516145","8.3914","0.0009","10.1833","0.0011","11.436","0.0012","66.578","0.001","82.676","0.001","85.465","0.001","888.96","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br I O3 S -","- C17 H16 Br I O3 S -","- C34 H32 Br2 I2 O6 S2 -","2","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0331","0.0307","","","0.0857","0.087","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516146","8.9059","0.0004","10.388","0.0005","11.1079","0.0005","64.715","0.001","88.475","0.001","80.124","0.001","914.16","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 N O13 P Pb2 S -","- C11 H14 N O13 P Pb2 S -","- C22 H28 N2 O26 P2 Pb4 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.031","0.0269","","","0.0686","0.0717","","","","","","0.956","","","","has coordinates","226141","2020-10-21","18:00:00",""
"4516147","9.4266","0.0007","12.5779","0.0009","13.2779","0.001","100.972","0.001","90.825","0.001","104.333","0.001","1494.3","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H28 N2 O16 P2 Pb3 S -","- C17 H28 N2 O16 P2 Pb3 S -","- C34 H56 N4 O32 P4 Pb6 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.0464","0.0398","","","0.1094","0.1138","","","","","","1.011","","","","has coordinates","226142","2020-10-21","18:00:00",""
"4516148","10.19","0.008","6.636","0.005","18.242","0.014","90","","104.79","0.02","90","","1192.7","1.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H32 F N O2 S -","- C28 H32 F N O2 S -","- C56 H64 F2 N2 O4 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.064","0.0461","","","0.1074","0.1212","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516149","7.212","0.004","8.116","0.004","36.696","0.017","90","","90","","90","","2147.9","1.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C104 H112 F4 N4 O4 S4 -","4","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0826","0.059","","","0.1269","0.1372","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516150","9.5976","0.0012","37.906","0.004","55.277","0.006","90","","90","","90","","20110","4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br N O S -","- C26 H28 Br N O S -","- C936 H1008 Br36 N36 O36 S36 -","36","9","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","1.54178","CuKα","","0.1524","0.1354","","","0.3398","0.353","","","","","","1.044","","","","has coordinates","226145","2020-10-21","18:00:00",""
"4516151","9.603","0.002","7.0203","0.0016","15.771","0.004","90","","93.616","0.003","90","","1061.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C52 H56 F2 N2 O2 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0686","0.0466","","","0.092","0.104","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516152","11.8883","0.0003","7.4114","0.0003","20.6224","0.0007","90","","95.281","0.003","90","","1809.31","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","x-ray","0.71073","MoKα","","0.0431","0.0354","","","0.094","0.0986","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516153","15.959","0.005","8.47","0.002","21.482","0.006","90","","108.034","0.004","90","","2761.1","1.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 S -","- C28 H33 N3 O4 S -","- C112 H132 N12 O16 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.0701","0.0545","","","0.1192","0.129","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516154","11.08","0.02","11.755","0.018","11.961","0.014","63.18","0.17","66.29","0.17","71.29","0.18","1254","4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N3 O4 S -","- C26 H31 N3 O4 S -","- C52 H62 N6 O8 S2 -","2","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.106","0.0621","","","0.1244","0.1519","","","","","","0.87","","","","has coordinates","226149","2020-10-21","18:00:00",""
"4516155","16.4194","0.0007","10.6606","0.0005","11.1508","0.0004","90","","107.03","0.003","90","","1866.26","0.14","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl2 N O2 -","- C21 H17 Cl2 N O2 -","- C84 H68 Cl8 N4 O8 -","4","1","","Zhang, Mingming; Prior, Allan M.; Maddox, Marcus M.; Shen, Wan-Jou; Hevener, Kirk E.; Bruhn, David F.; Lee, Robin B.; Singh, Aman P.; Reinicke, Justin; Simmons, Charles J.; Hurdle, Julian G.; Lee, Richard E.; Sun, Dianqing","Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives.","ACS omega","2018","3","12","18343","18360","10.1021/acsomega.8b03174","","","0.71069","MoKα","","","0.0447","","","","0.0483","","","","","","1.141","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516156","16.077","0.0007","16.3313","0.0009","16.9952","0.0009","90","","107.066","0.002","90","","4265.7","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 I3 P Pb -","- C12 H28 I3 P Pb -","- C96 H224 I24 P8 Pb8 -","8","4","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.1017","0.0552","","","0.1097","0.1364","","","","","","1.113","","","","has coordinates,has disorder","226151","2020-10-21","18:00:00",""
"4516157","24.56","0.002","13.0686","0.0011","16.1499","0.0014","90","","110.037","0.002","90","","4869.8","0.7","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H39 I6 N P2 Pb2 -","- C40 H39 I6 N P2 Pb2 -","- C160 H156 I24 N4 P8 Pb8 -","4","0.5","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0522","0.0371","","","0.0783","0.0854","","","","","","1.154","","","","has coordinates,has disorder","226152","2020-10-21","18:00:00",""
"4516158","15.3593","0.0006","11.1506","0.0004","7.9441","0.0003","90","","100.889","0.001","90","","1336.05","0.09","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H22 I6 P2 Pb2 -","- C7.998 H24 I6 P2 Pb2 -","- C15.996 H48 I12 P4 Pb4 -","2","0.25","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0409","0.0296","","","0.0661","0.0718","","","","","","1.062","","","","has coordinates,has disorder","226153","2020-10-21","18:00:00",""
"4516159","8.1978","0.001","8.1978","0.001","6.0037","0.0008","90","","90","","90","","403.47","0.09","170","","170","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C4 H12 I P -","- C4 H12 I P -","- C8 H24 I2 P2 -","2","0.125","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0501","0.0423","","","0.0914","0.0962","","","","","","1.232","","","","has coordinates,has disorder","226154","2020-10-21","18:00:00",""
"4516160","10.0382","0.0008","10.0382","0.0008","23.738","0.002","90","","90","","120","","2071.5","0.3","170","2","170","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H12 I3 P Pb -","- C4 H12 I3 P Pb -","- C24 H72 I18 P6 Pb6 -","6","1","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0489","0.0471","","","0.1125","0.1144","","","","","","1.108","","","","has coordinates","226155","2020-10-21","18:00:00",""
"4516161","16.097","0.0009","9.1111","0.0005","17.2334","0.001","90","","114.177","0.002","90","","2305.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N3 O3 -","- C27 H20 Br N3 O3 -","- C108 H80 Br4 N12 O12 -","4","1","","Maity, Pampa; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Tandrima; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Pyrrolo[3,4-c]pyridine-Based Fluorescent Chemosensor for Fe3+/Fe2+ Sensitivity and Their Application in Living HepG2 Cells","ACS Omega","2018","3","12","18646","","10.1021/acsomega.8b02110","","","0.71073","MoKα","","0.028","0.0258","","","0.087","0.0906","","","","","","0.73","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516162","18.4872","0.0014","18.4872","0.0014","18.4872","0.0014","90","","90","","90","","6318.5","0.8","120","2","120","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","Bis-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]nickel(II) di-tetrafluoroborate","","- C24 H18 B2 F8 N18 Ni -","- C24 H18 B2 F8 N18 Ni0.99 -","- C192 H144 B16 F64 N144 Ni7.92 -","8","0.0833333","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0926","0.0781","","","0.2314","0.2621","","","","","","1.09","","","","has coordinates","226157","2020-10-21","18:00:00",""
"4516163","12.3764","0.0007","16.8545","0.0014","21.0272","0.0019","107.562","0.008","91.665","0.006","106.956","0.006","3966.9","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2,4-Di(pyrazol-1-yl)-6-hydroxy-1,3,5-triazinate]-tris[2,4,6-tri- (pyrazol-1-yl)-1,3,5-triazine][1H-pyrazole]dicopper(II) tri(tetrafluoroborate) nitromethane (7/6.25) solvate","","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C108.5 H111.5 B6 Cu4 F24 N84.5 O27 -","2","1","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0805","0.0742","","","0.2103","0.2185","","","","","","1.033","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516164","17.8353","0.0008","25.3177","0.0013","27.4906","0.0011","90","","90","","90","","12413.3","1","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) di(tetrafluoroborate)","","- C26 H20 B2 F8 Fe N16 -","- C26 H20 B2 F8 Fe N16 -","- C416 H320 B32 F128 Fe16 N256 -","16","0.5","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0851","0.0755","","","0.2077","0.2157","","","","","","1.091","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516165","15.2393","0.0002","31.6772","0.0003","15.9371","0.0002","90","","111.945","0.001","90","","7136.01","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) diperchlorate nitromethane (1/) solvate","","- C26.9 H23.2 Cl2 Fe N16.9 O9.93 -","- C26.9 H22.7 Cl2 Fe N16.9 O9.925 -","- C215.2 H181.6 Cl16 Fe8 N135.2 O79.4 -","8","2","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0728","0.0672","","","0.1822","0.1869","","","","","","1.079","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516166","34.0363","0.0008","7.9956","0.0002","18.5251","0.0004","90","","97.374","0.001","90","","4999.7","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-bismesitylphenanthrone-9,10-diimine","","- C32 H30 N2 -","- C32 H30 N2 -","- C256 H240 N16 -","8","1","","Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A.","Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone.","ACS omega","2018","3","12","16858","16865","10.1021/acsomega.8b02981","","","0.71073","MoKα","","0.0626","0.0459","","","0.1136","0.124","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516167","7.62509","0.00011","8.44847","0.00012","15.92585","0.00016","104.231","0.001","94.45","0.001","103.15","0.0012","958.65","0.02","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","m-CF3-dithiatriazine dimer","4,9-bis[3-(trifluoromethyl)phenyl]-1l4,2l4,6l4,7l4-Tetrathia-3,5,8,10,11,12-hexaazatricyclo[5.3.1.12,6]dodeca-1(11),2,4,6(12),7,9-hexaene","","- C8 H4 F3 N3 S2 -","- C8 H4 F3 N3 S2 -","- C32 H16 F12 N12 S8 -","4","2","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.1067","0.1076","","","","","","1.082","","","","has coordinates,has disorder","226159","2020-10-21","18:00:00",""
"4516168","22.90772","0.00016","4.66989","0.00003","22.2724","0.0002","90","","106.678","0.0009","90","","2282.39","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mCF3-bicyclic","7-[3-(Trifluoromethyl)phenyl]-1l4,3l4,5l4-trithia-2,4,6,8,9-pentaazabicyclo [3.3.1]nona-1(9),2,3,5,7-pentaene","","- C8 H4 F3 N5 S3 -","- C8 H4 F3 N5 S3 -","- C64 H32 F24 N40 S24 -","8","1","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0286","0.028","","","0.0741","0.0744","","","","","","1.075","","","","has coordinates","226159","2020-10-21","18:00:00",""
"4516169","10.4125","0.0008","7.9214","0.0006","17.1706","0.0013","90","","100.71","0.001","90","","1391.59","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O5 S -","- C33 H29 N O5 S -","- C66 H58 N2 O10 S2 -","2","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0456","0.0353","","","0.0832","0.0898","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516170","11.977","0.0015","11.977","0.0015","47.127","0.012","90","","90","","120","","5854.6","1.8","296.15","","296.15","","","","","","","","","5","P 61","P 61","169","","","","- C48 H38 N2 O6 S2 -","- C48 H38 N2 O6 S2 -","- C288 H228 N12 O36 S12 -","6","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0731","0.0459","","","0.0835","0.0915","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516171","6.2228","0.0006","16.253","0.001","17.111","0.001","90","","90","","90","","1730.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 N O3 -","- C23 H13 N O3 -","- C92 H52 N4 O12 -","4","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.0897","0.0398","","","0.0714","0.086","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516172","13.4246","0.0005","5.6336","0.0002","7.7042","0.0003","90","","90.883","0.003","90","","582.59","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O -","- C16 H12 O -","- C32 H24 O2 -","2","0.5","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0681","0.0662","","","0.1626","0.1637","","","","","","1.118","","","","has coordinates,has disorder","226163","2020-10-21","18:00:00",""
"4516173","7.353","0.001","13.0226","0.0009","32.757","0.004","90","","90","","90","","3136.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C168 H104 N8 O16 -","8","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.1783","0.047","","","0.0868","0.1106","","","","","","0.929","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516174","5.843","0.0002","3.9026","0.0002","30.318","0.002","90","","94.535","0.004","90","","689.17","0.06","293","1","293","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C38 H22 N2 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0547","0.0498","","","0.1352","0.1484","","","","","","1.119","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516175","11.0189","0.0003","5.6659","0.0002","46.0573","0.0015","90","","90","","90","","2875.45","0.16","150","2","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","2","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0308","0.0288","","","0.0699","0.0722","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516176","3.8218","0.0002","5.7496","0.0003","27.25","0.0013","90","","93.862","0.005","90","","597.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0429","0.039","","","0.0991","0.1018","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516177","6.4009","0.0002","7.3211","0.0003","13.9114","0.0006","90","","100.161","0.004","90","","641.69","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0344","0.0326","","","0.0922","0.0934","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516178","11.4973","0.001","14.4173","0.0013","15.8364","0.0014","90","","109.373","0.001","90","","2476.4","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N O23 P Tb2 -","- C13 H24 N O23 P Tb2 -","- C52 H96 N4 O92 P4 Tb8 -","4","1","","Jiao, Cheng-Qi; Sun, Meng; Liu, Fang; Zhou, Ya-Nan; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Terbium Oxalatophosphonate as Efficient Multiresponsive Luminescent Sensors for Chromate Anions and Tryptophan Molecules.","ACS omega","2018","3","12","16735","16742","10.1021/acsomega.8b02486","","","0.71073","MoKα","","0.0447","0.0293","","","0.0545","0.0576","","","","","","1.001","","","","has coordinates,has disorder","226169","2020-10-21","18:00:00",""
"4516179","24.483","0.002","4.4738","0.0004","19.705","0.002","90","","113.73","","90","","1975.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrodpp","","","- C23 H22 N6 -","- C23 H22 N6 -","- C92 H88 N24 -","4","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.2181","0.0852","","","0.2269","0.3066","","","","","","0.869","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516180","7.4514","0.0007","10.2478","0.0009","12.0251","0.001","74.076","0.002","89.764","0.002","85.604","0.002","880.27","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dpp phosphate","","","- C16 H20 N5 O3 P -","- C16 H20 N5 O3 P -","- C32 H40 N10 O6 P2 -","2","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.1225","0.0852","","","0.2203","0.255","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516181","13.5644","0.0003","14.7817","0.0004","23.8992","0.0006","103.053","0.002","95.08","0.002","108.299","0.002","4365.7","0.2","149","2","149.4","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 N12 O20 Re4 S4 -","- C68 H92 N12 O20 Re4 S4 -","- C136 H184 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0857","0.0597","","","0.1323","0.1424","","","","","","1.044","","","","has coordinates,has disorder","226172","2020-10-21","18:00:00",""
"4516182","20.384","0.0018","17.0684","0.0013","21.821","0.012","90","","94.39","0.02","90","","7570","4","151","2","150.7","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N8 O16 Re4 S4 -","- C68 H56 N8 O16 Re4 S4 -","- C272 H224 N32 O64 Re16 S16 -","4","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1088","0.0652","","","0.1598","0.1808","","","","","","1.051","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516183","14.247","0.0009","14.3139","0.0007","25.3456","0.0014","79.388","0.005","82.079","0.005","84.365","0.005","5017.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 N10 O18 Re4 S4 -","- C74 H70 N10 O18 Re4 S4 -","- C148 H140 N20 O36 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1988","0.0908","","","0.2184","0.2575","","","","","","0.879","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516184","13.8133","0.0004","13.9339","0.0005","14.4964","0.0005","71.743","0.003","78.559","0.003","80.466","0.003","2580.96","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","1","0.5","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.7107","MoKα","","0.0759","0.0457","","","0.0975","0.1098","","","","","","1.144","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516185","14.9664","0.0007","17.7611","0.0008","22.4582","0.0011","92.133","0.004","101.334","0.004","106.648","0.004","5580.2","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H96 N12 O20 Re4 S4 -","- C102 H96 N12 O20 Re4 S4 -","- C204 H192 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0969","0.0556","","","0.1194","0.1349","","","","","","0.957","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516186","13.305","0.003","21.832","0.004","12.476","0.003","90","","101.87","0.03","90","","3546.5","1.4","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Ir N6 O2 -","- C40 H29 Ir N6 O2 -","- C160 H116 Ir4 N24 O8 -","4","1","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.1407","0.0795","","","0.1448","0.1635","","","","","","0.952","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516187","12.147","0.002","12.958","0.002","14.044","0.003","75.832","0.003","67.388","0.003","74.135","0.003","1938.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","1","0.5","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.0455","0.0392","","","0.1048","0.1087","","","","","","1.084","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516188","9.0272","0.0006","29.178","0.002","18.4176","0.0014","90","","99.641","0.002","90","","4782.6","0.6","130","2","130.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H124 Ir2 N10 O4 -","- C108 H123.58 Ir2 N10 O5.79 -","- C216 H247.16 Ir4 N20 O11.58 -","2","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0563","0.0532","","","0.1042","0.1056","","","","","","1.249","","","","has coordinates","226174","2020-10-21","18:00:00",""
"4516189","18.644","0.003","8.9321","0.0013","25.915","0.004","90","","96.994","0.005","90","","4283.5","1.1","99.69","","99.69","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Ir N5 O2 -","- C49 H52 Ir N5 O2 -","- C196 H208 Ir4 N20 O8 -","4","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0754","0.0622","","","0.1593","0.1695","","","","","","1.158","","","","has coordinates","226175","2020-10-21","18:00:00",""
"4516190","19.025","0.011","9.09","0.005","25.534","0.013","90","","96.237","0.013","90","","4390","4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H104 Ir2 N10 O7 -","- C98 H106 Ir2 N10 O7 -","- C196 H212 Ir4 N20 O14 -","2","0.5","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0824","0.0576","","","0.1096","0.1195","","","","","","1.104","","","","has coordinates","226176","2020-10-21","18:00:00",""
"4516191","10.914","0.0015","11.6724","0.0017","9.8263","0.0015","90","","106.975","0.006","90","","1197.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C56 H44 Cl4 N8 -","4","1","","Dey, Amrita; Singsardar, Mukta; Sarkar, Rajib; Hajra, Alakananda","Environment-Friendly Protocol for the Chlorination of Imidazoheterocycles by Chloramine-T.","ACS omega","2018","3","3","3513","3521","10.1021/acsomega.7b01844","","","0.71073","MoKα","","0.0959","0.056","","","0.1356","0.1689","","","","","","0.848","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516192","13.101","0.0017","17.775","0.002","21.174","0.003","90","","93.628","0.005","90","","4920.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Co5POM","Na10[WCo3(H2O)2(CoW9O34)2]","","- Co2.44 Na9 O54 W9.56 -","- Co2.443 Na9 O54 W9.557 -","- Co9.772 Na36 O216 W38.228 -","4","1","","Thakur, Neha; Das Adhikary, Subhasis; Kumar, Mukesh; Mehta, Daisy; Padhan, Anil K.; Mandal, Debaprasad; Nagaiah, Tharamani C.","Ultrasensitive and Highly Selective Electrochemical Detection of Dopamine Using Poly(ionic liquids)-Cobalt Polyoxometalate/CNT Composite.","ACS omega","2018","3","3","2966","2973","10.1021/acsomega.7b02049","","","0.71073","MoKα","","0.0505","0.0384","","","0.0743","0.078","","","","","","1.152","","","","has coordinates,has disorder","226178","2020-10-21","18:00:00",""
"4516193","9.163","0.008","8.368","0.008","24.984","0.016","90","","97.39","0.02","90","","1900","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1657","0.1004","","","0.3007","0.3471","","","","","","1.102","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516194","21.333","0.013","7.865","0.005","11.834","0.008","90","","100.552","0.014","90","","1952","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1497","0.1103","","","0.3092","0.3416","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516195","23.398","0.003","7.4277","0.001","12.2111","0.0014","90","","92.075","0.004","90","","2120.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1076","0.0536","","","0.1227","0.1646","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516196","14.1404","0.0003","5.79829","0.00012","14.2252","0.0003","90","","90","","90","","1166.33","0.04","100","","100","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H14 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei; Han, Dan; Chen, Shiyou; Yang, Dong; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu; Dong, Angang","A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions","ACS Energy Letters","2018","3","6","1443","","10.1021/acsenergylett.8b00661","","","0.71073","MoKα","","0.0302","0.028","","0.0575","0.0565","0.0575","","","","","","1.0827","","","","has coordinates","226182","2020-10-21","18:00:00",""
"4516197","14.62","0.009","14.62","0.009","6.392","0.004","90","","90","","90","","1366.3","1.5","296","2","296","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C5.4 H22.2 I7 N3.6 O2.4 Sn2 -","- I7 Sn2 -","- I14 Sn4 -","2","0.25","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.1847","0.0588","","","0.1588","0.2114","","","","","","0.802","","","","has coordinates","226183","2020-10-21","18:00:00",""
"4516198","13.0062","0.0018","19.617","0.004","6.3852","0.0013","90","","90","","90","","1629.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H16 I4 N2 O2 Sn -","- C4 H16 I4 N2 O2 Sn -","- C16 H64 I16 N8 O8 Sn4 -","4","0.5","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0384","0.0335","","","0.0809","0.0841","","","","","","1.068","","","","has coordinates","226184","2020-10-21","18:00:00",""
"4516199","10.1959","0.0002","9.0234","0.0002","8.9297","0.0002","90","","100.36","0.001","90","","808.15","0.03","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 I4 N2 O2 Sn -","- C4 H16 I4 N2 O2 Sn -","- C8 H32 I8 N4 O4 Sn2 -","2","0.5","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0237","0.02","","","0.0429","0.0443","","","","","","1.065","","","","has coordinates","226185","2020-10-21","18:00:00",""
"4516200","8.92","0.004","8.92","0.004","10.934","0.004","90","","90","","120","","753.4","0.6","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C1.4 H6.2 I3 N1.6 O0.4 Sn -","- C2.01 I3 N1.34 Sn -","- C6.03 I9 N4.02 Sn3 -","3","0.333333","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0844","0.0802","","","0.2229","0.2287","","","","","","1.296","","","","has coordinates","226187","2020-10-21","18:00:00",""
"4516781","8.2491","0.0002","10.4883","0.0002","11.6077","0.0003","82.052","0.001","77.374","0.002","88.501","0.001","970.58","0.04","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","- C38 H33 Cl4 N3 O13 -","1","1","","Chu, Hang; Smith, Joel M.; Felding, Jakob; Baran, Phil S.","Scalable Synthesis of (-)-Thapsigargin.","ACS central science","2017","3","1","47","51","10.1021/acscentsci.6b00313","","x-ray","1.54178","CuKα","","0.0427","0.0425","","","0.1295","0.1299","","","","","","1.205","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516782","18.9642","0.0008","11.2161","0.0004","13.5628","0.0005","90","","90","","90","","2884.87","0.19","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","CX-10-036","CX-10-036","","- C25 H33 N O8 -","- C25 H33 N O8 -","- C100 H132 N4 O32 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0824","0.0563","","","0.1375","0.1501","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516783","8.7826","0.0004","22.1496","0.001","10.3099","0.0005","90","","109.928","0.002","90","","1885.5","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","CX-10-028","CX-10-028","","- C42 H48 B N O10 -","- C42 H48 B N O10 -","- C84 H96 B2 N2 O20 -","2","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0338","0.0311","","","0.0732","0.0747","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516784","10.9374","0.0003","11.9604","0.0003","27.4814","0.0007","90","","90","","90","","3595","0.16","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CX-10-076","CX-10-076","","- C33 H57 N O12 -","- C33 H57 N O12 -","- C132 H228 N4 O48 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0411","0.0389","","","0.1064","0.1083","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516785","20.8804","0.0007","20.8804","0.0007","11.5639","0.0005","90","","90","","120","","4366.3","0.3","100","","100","","","","","","","","","4","P 32","P 32","145","6-AH-235","6-AH-235","","- C58 H90.76 N2 O18.38 -","- C58 H90.764 N2 O18.382 -","- C174 H272.292 N6 O55.146 -","3","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0537","0.0448","","","0.1071","0.113","","","","","","1.023","","","","has coordinates","239537","2020-10-21","18:00:00",""
"4516786","3.8199","0.0017","19.117","0.009","25.488","0.012","90","","90","","90","","1861.3","1.5","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","0.5","","Mamada, Masashi; Inada, Ko; Komino, Takeshi; Potscavage, Jr, William J; Nakanotani, Hajime; Adachi, Chihaya","Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System.","ACS central science","2017","3","7","769","777","10.1021/acscentsci.7b00183","","","0.71075","MoKα","","0.1495","0.1323","","","0.2638","0.2726","","","","","","1.335","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516787","12.6909","0.0005","16.3914","0.001","20.9924","0.0009","81.335","0.004","76.622","0.004","80.613","0.004","4162.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Tris(3,4,7,8-tetramethyl-1,10-phenanthroline)nickel(II) ditetraphenylborate","'Tris(3,4,7,8-tetramethyl-1,10-phenanthroline)nickel(II) ditetraphenylborate'","","- C102 H100 B2 N6 Ni O2 -","- C102 H100 B2 N6 Ni O2 -","- C204 H200 B4 N12 Ni2 O4 -","2","1","","Bunescu, Ala; Lee, Sunwoo; Li, Qian; Hartwig, John F.","Catalytic Hydroxylation of Polyethylenes.","ACS central science","2017","3","8","895","903","10.1021/acscentsci.7b00255","","","0.71073","MoKα","","0.1297","0.072","","","0.1068","0.1305","","","","","","0.954","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516788","25.102","0.002","6.0323","0.0006","28.707","0.003","90","","111.423","0.005","90","","4046.6","0.7","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 O8 -","- C22 H26 O8 -","- C176 H208 O64 -","8","1","","Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A.","Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist.","ACS central science","2017","3","12","1329","1336","10.1021/acscentsci.7b00488","","x-ray","0.71073","MoKα","K-L~3~","0.0966","0.0592","","","0.1322","0.1539","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516789","15.183","0.0005","6.01","0.0002","36.8552","0.0013","90","","95.228","0.002","90","","3349","0.2","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","2","","Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A.","Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist.","ACS central science","2017","3","12","1329","1336","10.1021/acscentsci.7b00488","","x-ray","0.71073","MoKα","K-L~3~","0.0772","0.0544","","","0.1105","0.1197","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516951","9.044","0.003","13.524","0.003","20.436","0.005","90","","90","","90","","2499.5","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl N O Ru -","- C29 H30 Cl N O Ru -","- C116 H120 Cl4 N4 O4 Ru4 -","4","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.0335","0.0325","","","0.0875","0.0885","","","","","","1.065","","","","has coordinates","239648","2020-10-21","18:00:00",""
"4516952","10.5006","0.0001","17.8634","0.0001","34.4468","0.0001","90","","98.1","0.001","90","","6396.95","0.07","110","0.02","110","0.1","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C47 H45 F6 N O P2 Ru -","- C47 H45 F6 N O P2 Ru -","- C282 H270 F36 N6 O6 P12 Ru6 -","6","3","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","x-ray","1.54178","CuKα","","0.0427","0.0414","","","0.1086","0.11","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516953","10.429","0.003","16.431","0.005","14.06","0.005","90","","98.59","0.014","90","","2382.3","1.3","173","2","173","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C49 H49 Cl4 F6 N O P2 Ru -","- C49 H49 Cl4 F6 N O P2 Ru -","- C98 H98 Cl8 F12 N2 O2 P4 Ru2 -","2","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.06","0.0561","","","0.1479","0.1519","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517034","10.994","0.006","12.322","0.012","15.365","0.015","90","","104.93","0.06","90","","2011","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acac)-(4-pyrrolidino)pyridinozinc(II)","","- C9.5 H13 N O2 Zn0.5 -","- C9.5 H13 N O2 Zn0.5 -","- C76 H104 N8 O16 Zn4 -","8","1","","Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P.","Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures","Crystal Growth & Design","2003","3","5","631","","10.1021/cg0340594","","","0.71073","MoKα","","0.0373","0.0329","","","0.1106","0.1236","","","","","","1.125","","","","has coordinates","271327","2021-12-10","13:10:59",""
"4517138","9.2693","0.0002","9.4061","0.0002","15.4687","0.0003","88.6025","0.0008","87.6725","0.0008","80.3371","0.0009","1328.24","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 Fe O2 P -","- C31 H33 Fe O2 P -","- C62 H66 Fe2 O4 P2 -","2","1","","Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong","Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer","ACS Macro Letters","2014","3","12","1281","","10.1021/mz5006603","","","0.71073","MoKα","","0.0588","0.0558","","","0.1123","0.1162","","","","","","1.133","","","","has coordinates","243459","2020-10-21","18:00:00",""
"4517139","41.3534","0.0006","64.6397","0.0009","8.1309","0.0001","90","","90","","90","","21734.5","0.5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H31 Fe O2 P -","- C30 H31 Fe O2 P -","- C960 H992 Fe32 O64 P32 -","32","2","","Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong","Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer","ACS Macro Letters","2014","3","12","1281","","10.1021/mz5006603","","","0.71073","MoKα","","0.0813","0.0466","","","0.0755","0.079","","","","","","1.314","","","","has coordinates","243460","2020-10-21","18:00:00",""
"4517357","11.181","0.0008","28.583","0.003","12.309","0.001","90","","90","","90","","3933.8","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acac)-(4-pyrrolidino)pyridinozinc(II)","","- C9.5 H13 N O2 Zn0.5 -","- C9.5 H13 N O2 Zn0.5 -","- C152 H208 N16 O32 Zn8 -","16","1","","Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P.","Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures","Crystal Growth & Design","2003","3","5","631","","10.1021/cg0340594","","","0.71073","MoKα","","0.0334","0.03","","","0.0993","0.1027","","","","","","0.963","","","","has coordinates","247260","2020-10-21","18:00:00",""
"4518396","38.361","0.003","15.8528","0.0012","17.6645","0.0012","90","","100.831","0.004","90","","10550.9","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H172 N4 O6 Si2 Zn -","- C110 H172 N4 O6 Si2 Zn -","- C440 H688 N16 O24 Si8 Zn4 -","4","0.5","","Choi, Sunghan; Kim, Chul Hoon; Baeg, Jin-Ook; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook","Collisional Electron Transfer Route between Homogeneous Porphyrin Dye and Catalytic TiO2/Re(I) Particles for CO2 Reduction","ACS Applied Energy Materials","2020","3","12","11581","11596","10.1021/acsaem.0c01300","","","0.71073","MoKα","","0.1247","0.0767","","","0.1811","0.2268","","","","","","1.066","","","","has coordinates","260394","2021-01-03","18:58:08",""
"5000155","3.8014","0.0003","11.6153","0.001","12.9843","0.0012","90","","94.984","0.006","90","","571.15","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C24 H20 N4 O8 -","4","1","","Boese, Roland; Bläser, Dieter; Nussbaumer, Michael; Krygowski, Tadeusz Marek","Low temperature crystal and molecular structure of nitrobenzene","Structural Chemistry","1992","3","5","363","368","10.1007/BF00678559","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"5900002","5.67","","5.67","","4.726","","90","","90","","90","","151.94","","","","","","","","","","","","","4","P -4 21 m","","113","","Diaminomethanal","","- C H4 N2 O -","- C N4 O -","- C2 N8 O2 -","2","0.25","","","","Strukturbericht","","3","","660","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900004","6.89","","6.96","","8.45","","90","","90","","90","","405.21","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Monomethylurea","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","","","Strukturbericht","","3","","660","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900006","5.06","","7.28","","5.81","","90","","101.52","","90","","209.71","","","","","","","","","","","","","5","P 1 21/m 1","","11","","Methylamine boron triflouride","","- C H5 B F3 N -","- C H5 B F3 N -","- C2 H10 B2 F6 N2 -","2","0.5","","Geller, S.; Hoard, J. L.","Structures of molecular addition compounds. I. Monomethyl amine–boron trifluoride, H~3~CH~2~N–BF~3~","Acta Crystallographica","1950","3","2","121","129","10.1107/S0365110X50000276","","","","","","","","","","","","","","","","","","","","","has coordinates","297325","2025-01-15","11:29:10",""
"5900007","7.76","","7.2","","8.34","","90","","90","","90","","465.97","","","","","","","","","","","","","5","P n m a","","62","","Acetonitrile boron triflouride","","- C2 H3 B F3 N -","- C4 H6 B2 F6 N2 -","- C8 H12 B4 F12 N4 -","2","0.25","","Hoard, J. L.; Owen, T. B.; Buzzell, A.; Salmon, O. N.","Structures of molecular addition compounds. II. Methyl cyanide‒boron trifluoride, H~3~CCN‒BF~3~","Acta Crystallographica","1950","3","2","130","137","10.1107/S0365110X50000288","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900011","4.58","","13.31","","4.58","","90","","105.33","","90","","269.26","","","","","","","","","","","","","3","P 1 21/c 1","","14","","Diiodine acetylene","","- C2 H2 I2 -","- C2 I2 -","- C4 I4 -","2","0.5","","","","Strukturbericht","","3","","666","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900012","4.768","","12.897","","4.784","","90","","105.08","","90","","284.05","","","","","","","","","","","","","3","P 1 21/c 1","","14","","Diiodine ethylene","","- C2 H4 I2 -","- C2 I2 -","- C4 I4 -","2","0.5","","","","Strukturbericht","","3","","665","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900026","9.06","","8.58","","7.34","","90","","98","","90","","565.02","","","","143","","","","","","","","","4","C 1 2/m 1","","12","","Trimethylamine hydrogen chloride","","- C3 H10 Cl N -","- C3 Cl N -","- C12 Cl4 N4 -","4","0.5","","King, M. V.; Lipscomb, W. N.","The low-temperature modification of n-propyl-ammonium chloride","Acta Crystallographica","1950","3","3","227","230","10.1107/S0365110X50000562","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900027","6.22","","6.22","","7.377","","90","","90","","90","","285.4","","","","293","","","","","","","","","4","P 4/n m m","","129","","Trimethylamine hydrogen chloride","","- C3 H10 Cl N -","- Cl -","- Cl2 -","2","","","King, M. V.; Lipscomb, W. N.","The structures of the n-propylammonium halides at room temperature","Acta Crystallographica","1950","3","3","222","227","10.1107/S0365110X50000550","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900028","6.94","","5.77","","19.22","","90","","90","","90","","769.64","","","","","","","","","","","","","3","P b c a","","61","","Propyltrimethylhydrazine","","- C6 H16 N2 -","- C6 H16 N2 -","- C24 H64 N8 -","4","0.5","","Binnie, W. P.; Robertson, J. M.","The crystal structure of hexamethylenediamine","Acta Crystallographica","1950","3","6","424","429","10.1107/S0365110X50001245","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900032","6.546","","7.847","","6.086","","90","","90","","90","","312.62","","","","","","","","","","","","","3","P c a b","","61","","Ethanedioic acid of form alpha","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","","","Strukturbericht","","3","","671","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900033","5.3","","6.09","","5.51","","90","","115.5","","90","","160.52","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethanedioic acid of form beta","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","","","Strukturbericht","","3","","672","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910156","5.81","","5.81","","5.81","","90","","90","","90","","196.123","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- F10 Ho3 Na -","- F78 Ho18 Na2 -","- F78 Ho18 Na2 -","","","","Wyckoff, R. W. G.","Page 484-486 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","484","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910158","4.691","","5.72","","4.925","","90","","90.38","","90","","132.147","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- O4 W Zn -","- O20 W4 Zn4 -","- O20 W4 Zn4 -","","","","Wyckoff, R. W. G.","Page 41-43 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910159","7.4","","13.83","","5.16","","90","","109.3","","90","","498.407","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- F8 N4 P4 -","- F16 N8 P8 -","- F16 N8 P8 -","","","","Wyckoff, R. W. G.","Page 467 & 468 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","467","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910160","7.46","","7.46","","7.46","","90","","90","","90","","415.161","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Si -","- O584 P64 Si4 -","- O584 P64 Si4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910161","8.4028","","8.4028","","8.4028","","90","","90","","90","","593.297","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mn2 Ni O4 -","- Mn136 Ni48 O640 -","- Mn136 Ni48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910163","5.362","","5.362","","11.718","","90","","90","","90","","336.905","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Na O4 Re -","- Na24 O128 Re24 -","- Na24 O128 Re24 -","","","","Wyckoff, R. W. G.","Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910164","7.89","","7.89","","7.89","","90","","90","","90","","491.169","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Sn -","- O584 P64 Sn4 -","- O584 P64 Sn4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910166","7.34","","7.34","","10.38","","90","","90","","90","","559.229","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- F14 Fe3 Na5 -","- F336 Fe20 Na68 -","- F336 Fe20 Na68 -","","","","Wyckoff, R. W. G.","Page 492 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","492","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910167","8.6","","8.6","","8.6","","90","","90","","90","","636.056","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mn O4 Ti2 -","- Mn48 O640 Ti136 -","- Mn48 O640 Ti136 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910168","8.3956","","6.6982","","4.8291","","90","","90","","90","","271.566","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu O4 S -","- Cu16 O96 S16 -","- Cu16 O96 S16 -","","","","Wyckoff, R. W. G.","Page 40 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","40","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910169","9.88","","9.88","","9.88","","90","","90","","90","","964.43","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu S4 Ti2 -","- Cu136 S640 Ti48 -","- Cu136 S640 Ti48 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910170","5.835","","5.835","","10.815","","90","","90","","120","","318.889","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Cd2 Mo3 O8 -","","","","","","Wyckoff, R. W. G.","Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","467","467","","","","","","","","","","","","","","","","","","","","","","","177123","2020-10-21","18:00:00",""
"5910171","7.1214","","7.1214","","6.2926","","90","","90","","90","","319.125","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Ho O4 V -","- Ho48 O192 V48 -","- Ho48 O192 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910172","10.87","","10.87","","10.87","","90","","90","","90","","1284.37","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu2 S4 Sn -","- Cu136 S640 Sn48 -","- Cu136 S640 Sn48 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910173","8.781","","8.781","","8.781","","90","","90","","90","","677.067","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd O4 Rh2 -","- Cd48 O640 Rh136 -","- Cd48 O640 Rh136 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910174","10.818","","10.818","","10.818","","90","","90","","90","","1266.02","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd In2 S4 -","- Cd48 In136 S640 -","- Cd48 In136 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910175","7.24","","7.24","","17.94","","90","","90","","120","","814.386","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tricesium vanadium nonachloride","","- Cl9 Cs3 V2 -","- Cl144 Cs20 V16 -","- Cl144 Cs20 V16 -","","","","Wyckoff, R. W. G.","Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910176","6.7","","6.7","","7.6","","90","","90","","90","","341.164","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- Cr K3 O8 -","- Cr4 K12 O64 -","- Cr4 K12 O64 -","","","","Wyckoff, R. W. G.","Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","455","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910177","5.708","","5.708","","10.74","","90","","90","","90","","349.923","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Hg Se4 -","- Al8 Hg4 Se32 -","- Al8 Hg4 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910178","9.103","","5.526","","7.337","","90","","90","","90","","369.074","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cr O4 -","- Ba Cr O4 -","- Ba4 Cr4 O16 -","4","0.5","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","303133","2025-11-01","10:43:46",""
"5910180","7.32","","7.32","","17.97","","90","","90","","120","","833.875","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Triesium titanium nonachloride","","- Cl9 Cs3 Ti2 -","- Cl144 Cs20 Ti16 -","- Cl144 Cs20 Ti16 -","","","","Wyckoff, R. W. G.","Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910181","8.01","","6.18","","10.85","","90","","90","","90","","537.095","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 Rb2 Se -","- O16 Rb8 Se4 -","- O16 Rb8 Se4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910182","5.08","","5.08","","11.7","","90","","90","","90","","301.935","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- As Bi O4 -","- As24 Bi24 O128 -","- As24 Bi24 O128 -","","","","Wyckoff, R. W. G.","Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910184","5.464","","4.887","","11.81","","90","","101","","90","","309.563","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Bi O4 Sb -","- Bi8 O40 Sb8 -","- Bi8 O40 Sb8 -","","","","Wyckoff, R. W. G.","Page 44 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","44","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910185","8.53","","8.53","","8.53","","90","","90","","90","","620.65","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mg O4 Rh2 -","- Mg48 O640 Rh136 -","- Mg48 O640 Rh136 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910186","10.708","","10.708","","10.708","","90","","90","","90","","1227.79","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- In2 Mg S4 -","- In136 Mg48 S640 -","- In136 Mg48 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910187","5.654","","5.654","","13.03","","90","","90","","90","","416.539","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- K O4 Tc -","- K24 O128 Tc24 -","- K24 O128 Tc24 -","","","","Wyckoff, R. W. G.","Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910189","9.639","","9.639","","6.785","","90","","90","","90","","630.397","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- Cs F13 Sb4 -","- Cs2 F26 Sb8 -","- Cs2 F26 Sb8 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910190","5.16","","5.16","","10.91","","90","","90","","90","","290.485","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Nb O4 Y -","- Nb24 O128 Y24 -","- Nb24 O128 Y24 -","","","","Wyckoff, R. W. G.","Pages 19, 20 & 21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910191","8.592","","5.63","","7.129","","90","","90","","90","","344.851","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O4 Pb Se -","- O16 Pb4 Se4 -","- O16 Pb4 Se4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910193","5.775","","5.775","","9.915","","90","","90","","120","","286.37","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Mo3 O8 Zn2 -","- Mo36 O80 Zn8 -","- Mo36 O80 Zn8 -","","","","Wyckoff, R. W. G.","Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","467","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910194","5.374","","5.374","","12.094","","90","","90","","90","","349.273","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Ag I O4 -","- Ag24 I24 O128 -","- Ag24 I24 O128 -","","","","Wyckoff, R. W. G.","Pages 19 & 21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910195","8.39","","8.39","","8.39","","90","","90","","90","","590.59","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu Ga2 O4 -","- Cu48 Ga136 O544 -","- Cu48 Ga136 O544 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910196","7.05","","7.05","","8.05","","90","","120.55","","90","","344.565","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sodium Octafluotantalate","","- F8 Na3 Ta -","- F28 Na8 Ta4 -","- F28 Na8 Ta4 -","","","","Wyckoff, R. W. G.","Page 456 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","456","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910197","7.9","","6.25","","10.5","","90","","90","","90","","518.438","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K2 O4 Te -","- K8 O16 Te4 -","- K8 O16 Te4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910198","6.78","","6.78","","7.88","","90","","90","","90","","362.231","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- K3 O8 Ta -","- K12 O64 Ta4 -","- K12 O64 Ta4 -","","","","Wyckoff, R. W. G.","Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","455","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910199","6.967","","6.967","","6.866","","90","","90","","90","","333.269","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Ga O4 P -","- Ga16 O72 P16 -","- Ga16 O72 P16 -","","","","Wyckoff, R. W. G.","Pages 19, 20 & 22 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910200","8.107","","8.107","","8.107","","90","","90","","90","","532.82","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2 Mg O4 -","- Co136 Mg48 O640 -","- Co136 Mg48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910202","9.108","","9.108","","9.108","","90","","90","","90","","755.56","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mo Na2 O4 -","- Mo48 Na136 O328 -","- Mo48 Na136 O328 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910203","5.505","","8.383","","6.219","","90","","90","","90","","286.997","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr O4 Zn -","- Cr16 O64 Zn16 -","- Cr16 O64 Zn16 -","","","","Wyckoff, R. W. G.","Page 37 & 38 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","37","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910204","7.399","","7.399","","6.496","","90","","90","","90","","355.625","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Ce O4 V -","- Ce48 O160 V48 -","- Ce48 O160 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910206","5.795","","5.795","","10.267","","90","","90","","120","","298.594","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Mn2 Mo3 O8 -","- Mn8 Mo36 O80 -","- Mn8 Mo36 O80 -","","","","Wyckoff, R. W. G.","Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","467","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910207","9.824","","9.824","","9.824","","90","","90","","90","","948.124","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu S4 V2 -","- Cu48 S640 V136 -","- Cu48 S640 V136 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910208","8.078","","8.078","","8.078","","90","","90","","90","","527.122","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cd O4 -","- Al136 Cd48 O640 -","- Al136 Cd48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910211","6.7101","","6.7101","","6.1126","","90","","90","","90","","275.223","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- As O4 Sc -","- As48 O160 Sc48 -","- As48 O160 Sc48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910212","7.28","","7.28","","8.9","","90","","90","","120","","408.492","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cl9 Cs3 Fe2 -","- Cl45 Cs5 Fe4 -","- Cl45 Cs5 Fe4 -","","","","Wyckoff, R. W. G.","Page 478 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","478","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910215","5.426","","8.925","","5.878","","90","","90","","90","","284.654","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr Cu O4 -","- Cr16 Cu16 O128 -","- Cr16 Cu16 O128 -","","","","Wyckoff, R. W. G.","Page 37 & 38 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","37","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910219","7.66","","6","","10.47","","90","","90","","90","","481.201","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K2 O4 Se -","- K8 O16 Se4 -","- K8 O16 Se4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910221","7.266","","7.266","","6.394","","90","","90","","90","","337.57","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- O4 Sm V -","- O160 Sm48 V48 -","- O160 Sm48 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910222","7.026","","7.026","","6.231","","90","","90","","90","","307.591","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Lu O4 V -","- Lu48 O160 V48 -","- Lu48 O160 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910223","7.071","","7.071","","6.263","","90","","90","","90","","313.144","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- O4 Tm V -","- O160 Tm48 V48 -","- O160 Tm48 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910224","9.1297","","9.1297","","9.1297","","90","","90","","90","","760.973","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na2 O4 W -","- Na136 O328 W48 -","- Na136 O328 W48 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910225","9.914","","9.914","","9.914","","90","","90","","90","","974.421","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 Cr S4 -","- Al136 Cr48 S640 -","- Al136 Cr48 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910226","5.752","","5.752","","9.865","","90","","90","","120","","282.661","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Mo3 Ni2 O8 -","- Mo36 Ni8 O80 -","- Mo36 Ni8 O80 -","","","","Wyckoff, R. W. G.","Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","467","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910228","5.51","","5.448","","32.84","","90","","90","","90","","985.807","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- Bi4 O12 Ti3 -","- Bi16 O48 Ti12 -","- Bi16 O48 Ti12 -","","","","Wyckoff, R. W. G.","Page 488-489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","488","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910230","8.495","","8.495","","8.495","","90","","90","","90","","613.042","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co O4 Rh2 -","- Co48 O640 Rh136 -","- Co48 O640 Rh136 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910231","10.58","","10.58","","10.58","","90","","90","","90","","1184.29","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co In2 S4 -","- Co48 In136 S640 -","- Co48 In136 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910233","7.211","","7.211","","6.35","","90","","90","","90","","330.191","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Gd O4 V -","- Gd48 O160 V48 -","- Gd48 O160 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910234","5.61","","5.67","","9.05","","90","","90","","90","","287.869","","","","","","","","","","","","","3","P 2 2 2","P 2 2","16","","","","- Al P S4 -","- Al2 P2 S20 -","- Al2 P2 S20 -","","","","Wyckoff, R. W. G.","Page 36 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","36","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910235","10.33","","7.74","","5.88","","90","","90","","90","","470.131","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Ge O4 -","- Ba32 Ge16 O96 -","- Ba32 Ge16 O96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910236","8.57","","8.57","","8.57","","90","","90","","90","","629.423","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd Ga2 O4 -","- Cd48 Ga136 O640 -","- Cd48 Ga136 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910237","6.186","","6.186","","12.37","","90","","90","","90","","473.358","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Hg In2 Te4 -","- Hg4 In8 Te32 -","- Hg4 In8 Te32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910238","7.37","","7.37","","8.34","","90","","90","","90","","453.003","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- Cs3 O8 Ta -","- Cs12 O64 Ta4 -","- Cs12 O64 Ta4 -","","","","Wyckoff, R. W. G.","Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","455","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910239","6.98","","6.98","","24.2","","90","","90","","90","","1179.03","","","","","","","","","","","","","3","P 41","P 4w","76","","antimony iodine ocyachloride","","- Cl8 I Sb -","- Cl128 I16 Sb16 -","- Cl128 I16 Sb16 -","","","","Wyckoff, R. W. G.","Pages 452-455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","452","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910241","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cu Mn2 O4 -","- Cu48 Mn136 O640 -","- Cu48 Mn136 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910242","10.045","","10.045","","10.045","","90","","90","","90","","1013.56","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Mn S4 -","- Cr136 Mn48 S640 -","- Cr136 Mn48 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910244","8.613","","8.613","","8.613","","90","","90","","90","","638.945","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mn O4 Rh2 -","- Mn48 O640 Rh136 -","- Mn48 O640 Rh136 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910245","10.715","","10.715","","10.715","","90","","90","","90","","1230.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- In2 Mn S4 -","- In136 Mn48 S640 -","- In136 Mn48 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910246","7.329","","7.329","","6.4356","","90","","90","","90","","345.683","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Nd O4 V -","- Nd48 O160 V48 -","- Nd48 O160 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910247","11.051","","11.051","","11.051","","90","","90","","90","","1349.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Cu Te4 -","- Cr136 Cu48 Te640 -","- Cr136 Cu48 Te640 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910248","7.1025","","7.1025","","6.3536","","90","","90","","90","","320.511","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- As O4 Tb -","- As48 O160 Tb48 -","- As48 O160 Tb48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910249","4.8","","5.65","","5.1","","90","","91.3","","90","","138.276","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- O4 Sc Ta -","- O20 Sc4 Ta4 -","- O20 Sc4 Ta4 -","","","","Wyckoff, R. W. G.","Page 41-43 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910250","9.792","","5.663","","4.555","","90","","90","","90","","252.584","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be Cr2 O4 -","- Be16 Cr32 O96 -","- Be16 Cr32 O96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910251","5.746","","5.746","","10.68","","90","","90","","90","","352.616","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Cd Se4 -","- Al8 Cd4 Se32 -","- Al8 Cd4 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910252","8.318","","8.318","","8.318","","90","","90","","90","","575.515","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2 Ge O4 -","- Co136 Ge48 O640 -","- Co136 Ge48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910253","7.52","","7.52","","7.52","","90","","90","","90","","425.259","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Ge O7 P2 -","- Ge4 O28 P8 -","- Ge4 O28 P8 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","303119","2025-10-31","15:51:36",""
"5910254","5.488","","5.488","","10.26","","90","","90","","90","","309.012","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Hg S4 -","- Al8 Hg4 S32 -","- Al8 Hg4 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910255","9.95","","9.95","","9.95","","90","","90","","90","","985.075","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr Ga2 S4 -","- Cr48 Ga136 S640 -","- Cr48 Ga136 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910256","6.9939","","6.9939","","6.2595","","90","","90","","90","","306.181","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- As O4 Tl -","- As48 O160 Tl48 -","- As48 O160 Tl48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910257","6.952","","6.952","","6.23","","90","","90","","90","","301.098","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- As Lu O4 -","- As48 Lu48 O160 -","- As48 Lu48 O160 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910258","8.221","","8.221","","8.221","","90","","90","","90","","555.615","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ge Ni2 O4 -","- Ge48 Ni136 O640 -","- Ge48 Ni136 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910259","7","","7","","6.256","","90","","90","","90","","306.544","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- As O4 Tm -","- As48 O160 Tm48 -","- As48 O160 Tm48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910261","10.619","","10.619","","10.619","","90","","90","","90","","1197.43","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe In2 S4 -","- Fe48 In136 S640 -","- Fe48 In136 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910262","5.64","","5.64","","12.7","","90","","90","","90","","403.982","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Ba O4 W -","- Ba24 O128 W24 -","- Ba24 O128 W24 -","","","","Wyckoff, R. W. G.","Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910263","5.4","","5.4","","11.9","","90","","90","","90","","347.004","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- O4 Sr W -","- O128 Sr24 W24 -","- O128 Sr24 W24 -","","","","Wyckoff, R. W. G.","Pages 19, 20 & 22 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910264","8.36","","6.42","","11.26","","90","","90","","90","","604.338","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs2 O4 Se -","- Cs8 O16 Se4 -","- Cs8 O16 Se4 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910266","7.66","","5.85","","10.13","","90","","90","","90","","453.935","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be F4 Rb2 -","- Be4 F16 Rb8 -","- Be4 F16 Rb8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910267","9.635","","9.635","","6.563","","90","","90","","90","","609.264","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F13 Rb Sb4 -","- F26 Rb2 Sb8 -","- F26 Rb2 Sb8 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910268","5.74","","5.74","","5.74","","90","","90","","90","","189.119","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- F10 Na Tm3 -","- F78 Na2 Tm18 -","- F78 Na2 Tm18 -","","","","Wyckoff, R. W. G.","Page 484-486 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","484","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910269","8.721","","8.721","","8.721","","90","","90","","90","","663.283","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Th -","- O584 P64 Th4 -","- O584 P64 Th4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910272","9.968","","9.968","","9.968","","90","","90","","90","","990.431","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 S4 Zn -","- Al136 S544 Zn48 -","- Al136 S544 Zn48 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910273","5.568","","8.208","","5.977","","90","","90","","90","","273.162","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr O4 V -","- Cr16 O64 V16 -","- Cr16 O64 V16 -","","","","Wyckoff, R. W. G.","Page 37 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","37","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910274","5.937","","5.937","","11.87","","90","","90","","90","","418.393","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Te4 Zn -","- Ga8 Te32 Zn4 -","- Ga8 Te32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910275","5.507","","5.507","","10.23","","90","","90","","90","","310.246","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Hg S4 -","- Ga8 Hg4 S32 -","- Ga8 Hg4 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910276","7.1541","","7.1541","","6.3953","","90","","90","","90","","327.319","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- As Eu O4 -","- As48 Eu48 O160 -","- As48 Eu48 O160 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910277","4.6","","5.665","","4.912","","90","","90.5","","90","","127.997","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Ni O4 W -","- Ni4 O20 W4 -","- Ni4 O20 W4 -","","","","Wyckoff, R. W. G.","Page 41 & 42 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","41","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910278","7.81","","7.81","","7.81","","90","","90","","90","","476.38","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 O4 Pb -","- Fe136 O640 Pb48 -","- Fe136 O640 Pb48 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910280","8.435","","5.341","","6.875","","90","","90","","90","","309.728","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be F4 Pb -","- Be4 F16 Pb4 -","- Be4 F16 Pb4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910282","5.714","","5.714","","10.78","","90","","90","","90","","351.965","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Hg Se4 -","- Ga8 Hg4 Se32 -","- Ga8 Hg4 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910283","8.18","","8.18","","8.18","","90","","90","","90","","547.343","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Hf O7 P2 -","- Hf4 O584 P64 -","- Hf4 O584 P64 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910284","8.6796","","8.6796","","4.9914","","90","","90","","120","","325.651","","","","","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- K3 O14 V5 -","- K9 O58 V13 -","- K9 O58 V13 -","","","","Wyckoff, R. W. G.","Page 493 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","493","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910285","9.636","","9.636","","6.365","","90","","90","","90","","591.006","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F13 K Sb4 -","- F26 K2 Sb8 -","- F26 K2 Sb8 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910286","6.122","","6.122","","12.24","","90","","90","","90","","458.742","","","","","","","","","","","","","3","I -4","I -4","82","","","","- In2 Te4 Zn -","- In8 Te32 Zn4 -","- In8 Te32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910287","5.78","","5.78","","5.78","","90","","90","","90","","193.101","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Er3 F10 Na -","- Er18 F78 Na2 -","- Er18 F78 Na2 -","","","","Wyckoff, R. W. G.","Page 484-486 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","484","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910288","5.763","","5.763","","11.8","","90","","90","","90","","391.904","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Hg In2 Se4 -","- Hg4 In8 Se32 -","- Hg4 In8 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910289","10.59","","10.59","","10.59","","90","","90","","90","","1187.65","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr In2 S4 -","- Cr48 In136 S640 -","- Cr48 In136 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910290","9.269","","5.814","","7.49","","90","","90","","90","","403.636","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl O4 Rb -","- Cl4 O16 Rb4 -","- Cl4 O16 Rb4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910291","7.42","","11.69","","14.72","","90","","90","","90","","1276.81","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","anhydrous potassium pentaborate","","- B5 K O8 -","- B320 K64 O512 -","- B320 K64 O512 -","","","","Wyckoff, R. W. G.","Pages 469-471 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","469","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910292","5.273","","5.273","","10.44","","90","","90","","90","","290.279","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 S4 Zn -","- Ga8 S32 Zn4 -","- Ga8 S32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910293","7.908","","5.913","","10.73","","90","","90","","90","","501.735","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cr O4 Tl2 -","- Cr4 O16 Tl8 -","- Cr4 O16 Tl8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910294","8.56","","8.56","","8.56","","90","","90","","90","","627.222","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Pu -","- O584 P64 Pu4 -","- O584 P64 Pu4 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910295","6.093","","6.093","","11.81","","90","","90","","90","","438.442","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Te4 -","- Cd4 Ga8 Te32 -","- Cd4 Ga8 Te32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910296","8.325","","8.325","","8.325","","90","","90","","90","","576.969","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co Ga2 O4 -","- Co48 Ga136 O640 -","- Co48 Ga136 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910297","7.179","","7.179","","6.324","","90","","90","","90","","325.927","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- O4 Tb V -","- O160 Tb48 V48 -","- O160 Tb48 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910299","7.1","","7.1","","6.279","","90","","90","","90","","316.524","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Er O4 V -","- Er48 O160 V48 -","- Er48 O160 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910300","7.043","","7.043","","6.248","","90","","90","","90","","309.925","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- O4 V Yb -","- O160 V48 Yb48 -","- O160 V48 Yb48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910301","6.78","","6.78","","7.86","","90","","90","","90","","361.312","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- K3 Nb O8 -","- K12 Nb4 O64 -","- K12 Nb4 O64 -","","","","Wyckoff, R. W. G.","Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","455","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910302","7.39","","7.39","","8.93","","90","","90","","120","","422.349","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Tricesium arsenic nonachloride","","- As2 Cl9 Cs3 -","- As4 Cl45 Cs9 -","- As4 Cl45 Cs9 -","","","","Wyckoff, R. W. G.","Page 475-477 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910303","6.213","","6.213","","5.486","","90","","90","","90","","211.767","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- B O4 Ta -","- B48 O192 Ta48 -","- B48 O192 Ta48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910304","7.367","","7.367","","6.468","","90","","90","","90","","351.036","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- O4 Pr V -","- O160 Pr48 V48 -","- O160 Pr48 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910305","8.501","","8.501","","8.501","","90","","90","","90","","614.342","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Mo O4 -","- Fe136 Mo48 O640 -","- Fe136 Mo48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910306","9.47","","5.81","","7.4","","90","","90","","90","","407.153","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- B F4 Tl -","- B4 F16 Tl4 -","- B4 F16 Tl4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910307","6.204","","6.204","","12.4","","90","","90","","90","","477.271","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd In2 Te4 -","- Cd4 In8 Te32 -","- Cd4 In8 Te32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910308","7.29","","5.63","","9.83","","90","","90","","90","","403.45","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be F4 K2 -","- Be4 F16 K8 -","- Be4 F16 K8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910309","10.833","","10.833","","10.833","","90","","90","","90","","1271.3","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Hg In2 S4 -","- Hg48 In136 S640 -","- Hg48 In136 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910310","5.675","","5.675","","5.675","","90","","90","","90","","182.767","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- F10 Na Y3 -","- F78 Na2 Y18 -","- F78 Na2 Y18 -","","","","Wyckoff, R. W. G.","Page 484-486 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","484","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910311","7.2999","","7.2999","","6.4573","","90","","90","","90","","344.1","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Bi O4 V -","- Bi48 O160 V48 -","- Bi48 O160 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910312","8.73","","5.65","","6.613","","90","","90","","90","","326.183","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Be F4 -","- Ba4 Be4 F16 -","- Ba4 Be4 F16 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910314","8.624","","6.715","","4.744","","90","","90","","90","","274.726","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Co O4 S -","- Co16 O96 S16 -","- Co16 O96 S16 -","","","","Wyckoff, R. W. G.","Pages 40 & 41 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","40","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910315","5.339","","5.339","","11.869","","90","","90","","90","","338.325","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Na O4 Te -","- Na24 O128 Te24 -","- Na24 O128 Te24 -","","","","Wyckoff, R. W. G.","Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910316","4.66","","5.69","","4.98","","90","","90","","90","","132.047","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Co O4 W -","- Co4 O20 W4 -","- Co4 O20 W4 -","","","","Wyckoff, R. W. G.","Page 41-43 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910317","5.564","","5.564","","10.32","","90","","90","","90","","319.488","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Al2 Cd S4 -","- Al8 Cd4 S32 -","- Al8 Cd4 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910318","5.496","","5.496","","10.99","","90","","90","","90","","331.964","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Ga2 Se4 Zn -","- Ga8 Se32 Zn4 -","- Ga8 Se32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910319","9.637","","9.637","","6.584","","90","","90","","90","","611.468","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","","- F13 Sb4 Tl -","- F26 Sb8 Tl2 -","- F26 Sb8 Tl2 -","","","","Wyckoff, R. W. G.","Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","489","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910320","8.262","","8.262","","8.262","","90","","90","","90","","563.969","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga2 Ni O4 -","- Ga136 Ni48 O640 -","- Ga136 Ni48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910321","10.443","","10.443","","10.443","","90","","90","","90","","1138.87","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Se4 Zn -","- Cr136 Se640 Zn48 -","- Cr136 Se640 Zn48 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910322","7.1434","","7.1434","","6.313","","90","","90","","90","","322.141","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Dy O4 V -","- Dy48 O160 V48 -","- Dy48 O160 V48 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910323","8.54","","8.54","","8.54","","90","","90","","90","","622.836","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O4 Rh2 Zn -","- O640 Rh136 Zn48 -","- O640 Rh136 Zn48 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910324","5.767","","5.767","","9.915","","90","","90","","120","","285.577","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Co2 Mo3 O8 -","- Co8 Mo36 O80 -","- Co8 Mo36 O80 -","","","","Wyckoff, R. W. G.","Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","467","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910325","7.66","","5.89","","10.33","","90","","90","","90","","466.063","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- K2 Mn O4 -","- K8 Mn4 O16 -","- K8 Mn4 O16 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910326","5.71","","5.71","","11.42","","90","","90","","90","","372.339","","","","","","","","","","","","","3","I -4","I -4","82","","","","- In2 Se4 Zn -","- In8 Se32 Zn4 -","- In8 Se32 Zn4 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910327","8.001","","6.074","","10.722","","90","","90","","90","","521.069","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cr O4 Rb2 -","- Cr4 O16 Rb8 -","- Cr4 O16 Rb8 -","","","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910328","5.921","","5.921","","13.052","","90","","90","","90","","457.58","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- I O4 Rb -","- I24 O128 Rb24 -","- I24 O128 Rb24 -","","","","Wyckoff, R. W. G.","Pages 19, 20 & 22 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910329","9.065","","5.472","","7.304","","90","","90","","90","","362.305","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Mn O4 -","- Ba4 Mn4 O16 -","- Ba4 Mn4 O16 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910330","8.12","","8.12","","8.12","","90","","90","","90","","535.387","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al2 O4 Sn -","- Al136 O640 Sn48 -","- Al136 O640 Sn48 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910331","5.36","","5.36","","11.94","","90","","90","","90","","343.031","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo O4 Sr -","- Mo24 O128 Sr24 -","- Mo24 O128 Sr24 -","","","","Wyckoff, R. W. G.","Pages 19, 20 & 22 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910332","6.56","","4.892","","10.9","","90","","90","","90","","349.798","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na2BeF4","","- Be F4 Na2 -","- Be F4 Na2 -","- Be4 F16 Na8 -","4","0.5","","Wyckoff, R. W. G.","Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","95","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910333","9.629","","9.629","","9.629","","90","","90","","90","","892.778","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Cu S4 -","- Cr136 Cu48 S640 -","- Cr136 Cu48 S640 -","","","","Wyckoff, R. W. G.","Page 76 & 78 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910334","9.85","","7.42","","5.73","","90","","90","","90","","418.789","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge O4 Sr2 -","- Ge16 O96 Sr32 -","- Ge16 O96 Sr32 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910336","5.577","","5.577","","10.08","","90","","90","","90","","313.518","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 S4 -","- Cd4 Ga8 S32 -","- Cd4 Ga8 S32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910337","10","","5.8","","4.5","","90","","90","","90","","261","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Be Cs2 F4 -","- Be16 Cs32 F96 -","- Be16 Cs32 F96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910338","4.8","","5.65","","5.09","","90","","91.42","","90","","137.998","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Nb O4 Sc -","- Nb4 O20 Sc4 -","- Nb4 O20 Sc4 -","","","","Wyckoff, R. W. G.","Page 41-43 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910339","8.411","","8.411","","8.411","","90","","90","","90","","595.036","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Ge O4 -","- Fe136 Ge48 O640 -","- Fe136 Ge48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910340","5.742","","5.742","","10.73","","90","","90","","90","","353.774","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Se4 -","- Cd4 Ga8 Se32 -","- Cd4 Ga8 Se32 -","","","","Wyckoff, R. W. G.","Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","72","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910341","7.0548","","7.0548","","6.3159","","90","","90","","90","","314.344","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- As Ho O4 -","- As48 Ho48 O160 -","- As48 Ho48 O160 -","","","","Wyckoff, R. W. G.","Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","15","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910342","8.338","","8.338","","8.338","","90","","90","","90","","579.676","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Ce O7 P2 -","- Ce4 O584 P64 -","- Ce4 O584 P64 -","","","","Wyckoff, R. W. G.","Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","429","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910343","9.103","","5.446","","7.301","","90","","90","","90","","361.947","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe O4 -","- Ba4 Fe4 O16 -","- Ba4 Fe4 O16 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910345","9.304","","5.845","","7.51","","90","","90","","90","","408.408","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl O4 Tl -","- Cl4 O16 Tl4 -","- Cl4 O16 Tl4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910346","8.68","","8.68","","8.68","","90","","90","","90","","653.972","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd O4 V2 -","- Cd48 O640 V136 -","- Cd48 O640 V136 -","","","","Wyckoff, R. W. G.","Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910347","4.829","","5.759","","4.998","","90","","91.1","","90","","138.97","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Mn O4 W -","- Mn4 O20 W4 -","- Mn4 O20 W4 -","","","","Wyckoff, R. W. G.","Page 41-43 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910348","10.304","","6.032","","4.913","","90","","90","","90","","305.361","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mg2 O4 -","- Ge16 Mg32 O96 -","- Ge16 Mg32 O96 -","","","","Wyckoff, R. W. G.","Pages 91 & 94 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","91","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910349","8.376","","8.376","","8.376","","90","","90","","90","","587.638","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Fe O4 -","- Cr136 Fe48 O640 -","- Cr136 Fe48 O640 -","","","","Wyckoff, R. W. G.","Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"5910350","7.22","","7.22","","17.93","","90","","90","","120","","809.441","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Triesium chromium nonachloride","","- Cl9 Cr2 Cs3 -","- Cl132 Cr16 Cs20 -","- Cl132 Cr16 Cs20 -","","","","Wyckoff, R. W. G.","Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","475","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910351","7.61","","7.61","","9.32","","90","","90","","120","","467.429","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cl9 Cs3 Sb2 -","- Cl45 Cs5 Sb4 -","- Cl45 Cs5 Sb4 -","","","","Wyckoff, R. W. G.","Page 478 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","478","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910352","8.593","","5.466","","7.641","","90","","96.39","","90","","356.663","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr3 K O8 -","- Cr20 K4 O64 -","- Cr20 K4 O64 -","","","","Wyckoff, R. W. G.","Page 464 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","464","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910353","9.034","","5.645","","7.364","","90","","90","","90","","375.541","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba O4 Se -","- Ba4 O16 Se4 -","- Ba4 O16 Se4 -","","","","Wyckoff, R. W. G.","Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","46","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910354","4.871","","4.871","","10.57","","90","","90","","90","","250.791","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Ge O4 Zr -","- Ge24 O128 Zr24 -","- Ge24 O128 Zr24 -","","","","Wyckoff, R. W. G.","Pages 19, 20 & 21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"5910355","14.53","","3.79","","6.29","","90","","90","","90","","346.382","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Ba O9 Ti4 -","- Ba4 O52 Ti32 -","- Ba4 O52 Ti32 -","","","","Wyckoff, R. W. G.","Page 479 & 480 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000464","8.9404","","8.0226","","11.7395","","90","","100.72","","90","","827.32","","","","","","","","","","","","","6","P 1 21/n 1","","","","","","- C H2 Ag3 O9 P2 V -","","","","","","Barthelet, K.; Riou, D.; Ferey, G.","Hydrothermal synthesis and structure determination of Ag-3((VO2)-O-V){O3P-CH2-PO3} or MIL-42: a new vanadium(V) methylendiphosphonate inserting silver cations","Solid State Sciences","2001","3","","203","209","10.1016/S1293-2558(00)01132-8","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000473","7.4219","","31.5289","","13.6682","","90","","91.807","","90","","3196.83","","","","","","","","","","","","","6","P 1 21/n 1","","","","","","- C3 H16 Be3 N2 O16 P4 -","","","","","","Harrison, W. T. A.","[H3N(CH2)(3)NH3].Be3(HPO4)(4), a three-dimensional framework beryllophosphate containing tetrahedral 10-rings and 12-rings","International Journal of Inorganic Materials","2001","3","","17","22","10.1016/S1466-6049(00)00101-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000545","6.9931","","6.9733","","17.6113","","90","","90","","90","","858.81","","","","","","","","","","","","","5","P 21 c n","","","","","","- D6 K O9 P U -","","","","","","Cole, M.; Fitch, A. N.; Prince, E.","Low-temperature structure of KUO2PO4.3D2O determined from combined synchrotron radiation and neutron powder diffraction measurements","Journal of Materials Chemistry","1993","3","","519","522","10.1039/jm9930300519","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000750","7.7888","","6.6973","","6.8413","","90","","90","","90","","356.87","","","","5","","","","","","","","","1","P b c a","","","","","","- O3 -","","","","","","Marx, R.; Ibberson, R. M.","Powder diffraction study on solid ozone","Solid State Sciences","2001","3","","195","202","10.1016/S1293-2558(00)01131-6","","","","","","","","","","","","","","","","","","","","","","201984","2020-10-21","18:00:00",""
"6000756","13.5505","","7.1407","","14.704","","90","","90","","90","","1422.76","","","","","","","","","","","","","5","Pmn2","","","","","","- H O31 P6 Rb6 V6 -","","","","","","Le, Fur E; De, Villars B; Tortelier, J.; Pivan, J. Y.","New data on rubidium vanadium phosphate Structure determination of the disordered (V-V-P-V) compound Rb-6(V2O3)(2)(VO)(2)(PO4)(4)(HP2-xVxO7) with x similar to 0.6","International Journal of Inorganic Materials","2001","3","","9","15","10.1016/S1466-6049(00)00100-8","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7101000","13.0132","0.001","8.6004","0.0007","14.162","0.0011","90","","91.558","0.002","90","","1584.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","301853","2025-08-21","21:49:53",""
"7101001","5.5429","0.0005","9.5351","0.0008","15.1955","0.0013","82.937","0.002","85.273","0.002","77.19","0.002","775.9","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Clarke, Paul A.; Martin, William H. C.; Hargreaves, Jason M.; Wilson, Claire; Blake, Alexander J.","The one-pot, multi-component construction of highly substituted tetrahydropyran-4-ones using the Maitland–Japp reaction","Organic & Biomolecular Chemistry","2005","3","19","3551","","10.1039/b508252h","","","","","","","","","","","","","","","","","","","","","has coordinates","282904","2023-04-28","18:18:02",""
"7112563","16.266","0.004","11.114","0.003","9.8401","0.0016","90","","101.629","0.013","90","","1742.4","0.7","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","0.71073","MoKα","","0.074","0.047","","","0.108","0.121","","","","","","1.017","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112564","10.139","0.002","8.597","0.002","20.157","0.005","90","","90","","90","","1757","0.7","90","0.5","90","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","1.54178","CuKα","","0.034","0.032","","","0.083","0.084","","","","","","1.054","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112565","10.0348","0.0005","12.0728","0.0006","13.3158","0.001","110.46","0.005","102.622","0.004","101.132","0.004","1409.38","0.16","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C60 H60 N8 O12 -","2","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","1.54178","CuKα","","0.044","0.037","","","0.096","0.102","","","","","","1.025","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112566","8.9371","0.0004","10.3208","0.0005","16.1899","0.0007","77.863","0.002","81.983","0.002","78.622","0.002","1423.75","0.11","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C30.4 H18.8 Cl4.8 N4 O2 -","- C29 H16 Cl2 N4 O2 -","- C58 H32 Cl4 N8 O4 -","2","1","","Ongarora, Benson G.; Hu, Xiaoke; Li, Hairong; Fronczek, Frank R.; Vicente, M Graça H","Syntheses and properties of trimethylaminophenoxy-substituted Zn((II))-phthalocyanines.","MedChemComm","2012","3","2","179","194","10.1039/C1MD00232E","","","1.54178","CuKα","","0.0697","0.0656","","","0.1435","0.1451","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112567","9.608","0.001","14.966","0.001","17.648","0.001","112.645","0.001","98.126","0.001","90.686","0.002","2312.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cl N2 O6 Zn -","- C49 H63 Cl N2 O6 Zn -","- C98 H126 Cl2 N4 O12 Zn2 -","2","1","","Pucci, Daniela; Bellini, Tommaso; Crispini, Alessandra; D'Agnano, Igea; Liguori, Paola F.; Garcia-Orduña, Pilar; Pirillo, Sante; Valentini, Alessandra; Zanchetta, Giuliano","DNA binding and cytotoxicity of fluorescent curcumin-based Zn(ii) complexes","MedChemComm","2012","3","4","462","","10.1039/c2md00261b","","","0.7378","synchrotron","","0.099","0.0733","","","0.2035","0.2275","","","","","","1.079","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112568","11.372","0.004","11.428","0.005","11.129","0.004","90","","90","","90","","1446.3","1","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","none","","","- C13 H21 B F3 P -","- C13 H21 B F3 P -","- C52 H84 B4 F12 P4 -","4","1","","Li, Zibo; Chansaenpak, Kantapat; Liu, Shuanglong; Wade, Casey R.; Conti, Peter S.; Gabbaï, François P.","Harvesting 18F-fluoride ions in water via direct 18F–19F isotopic exchange: radiofluorination of zwitterionic aryltrifluoroborates and in vivo stability studies","MedChemComm","2012","3","10","1305","","10.1039/c2md20105d","","","0.71073","MoKα","","0.0301","0.0285","","","0.0706","0.0715","","","","","","1.047","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112569","9.163","0.01","12.426","0.014","17.335","0.019","90","","100.483","0.018","90","","1941","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 B F3 O2 P -","- C21 H19 B F3 O2 P -","- C84 H76 B4 F12 O8 P4 -","4","1","","Li, Zibo; Chansaenpak, Kantapat; Liu, Shuanglong; Wade, Casey R.; Conti, Peter S.; Gabbaï, François P.","Harvesting 18F-fluoride ions in water via direct 18F–19F isotopic exchange: radiofluorination of zwitterionic aryltrifluoroborates and in vivo stability studies","MedChemComm","2012","3","10","1305","","10.1039/c2md20105d","","","0.71073","MoKα","","0.1446","0.0895","","","0.2502","0.2884","","","","","","1.024","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112570","11.7974","0.0015","13.942","0.0018","13.4238","0.0017","90","","101.254","0.002","90","","2165.5","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,8,9,13,13-Hexamethyl-2a,3,10c,12,13,14-hexahydro-2H-1,4,10- trioxa-dibenzo[c,g]phenanthrene-7,11-dione","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","1","","Venkatesham, A.; Rao, R. Srinivasa; Nagaiah, K.; Yadav, J. S.; RoopaJones, G.; Basha, S. J.; Sridhar, B.; Addlagatta, A.","Synthesis of new chromeno-annulated cis-fused pyrano[3,4-c]pyran derivatives via domino Knoevenagel–hetero-Diels–Alder reactions and their biological evaluation towards antiproliferative activity","MedChemComm","2012","3","6","652","","10.1039/c2md20023f","","","0.71073","MoKα","","0.0524","0.0431","","","0.1197","0.1279","","","","","","1.035","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112571","15.4539","0.0011","7.4613","0.0005","16.2148","0.0011","90","","106.214","0.001","90","","1795.3","0.2","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2,8,-Trimethyl-2a,3,10c,12,13,14-hexahydro-2H-1,4,10-trioxa-dibenzo[c.g] phenanthrene-7,11-dione","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","1","","Venkatesham, A.; Rao, R. Srinivasa; Nagaiah, K.; Yadav, J. S.; RoopaJones, G.; Basha, S. J.; Sridhar, B.; Addlagatta, A.","Synthesis of new chromeno-annulated cis-fused pyrano[3,4-c]pyran derivatives via domino Knoevenagel–hetero-Diels–Alder reactions and their biological evaluation towards antiproliferative activity","MedChemComm","2012","3","6","652","","10.1039/c2md20023f","","","0.71073","MoKα","","0.0491","0.0462","","","0.1298","0.1329","","","","","","1.043","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112572","15.248","0.0013","12.5719","0.001","14.0243","0.0012","90","","115.645","0.003","90","","2423.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H27 N3 O2 -","- C112 H108 N12 O8 -","4","1","","Mahesh Kumar, P.; Siva Kumar, K.; Meda, Chandana L. T.; Rajeshwar Reddy, G.; Mohakhud, Pradeep K.; Mukkanti, K.; Rama Krishna, G.; Malla Reddy, C.; Rambabu, D.; Shiva Kumar, K.; Krishna Priya, K.; Chennubhotla, Keerthana Sarma; Banote, Rakesh Kumar; Kulkarni, Pushkar; Parsa, Kishore V. L.; Pal, Manojit","(Pd/C-mediated)coupling‒iodocyclization‒coupling strategy in discovery of novel PDE4 inhibitors: a new synthesis of pyrazolopyrimidines","MedChemComm","2012","3","6","667","","10.1039/c2md00273f","","","0.71073","MoKα","","0.1569","0.1304","","","0.3633","0.3845","","","","","","2.591","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112573","7.3912","0.0004","12.3586","0.0006","20.4375","0.001","90","","94.331","0.002","90","","1861.53","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 I N2 O2 -","- C21 H16 I N3 O2 -","- C84 H64 I4 N12 O8 -","4","1","","Mahesh Kumar, P.; Siva Kumar, K.; Meda, Chandana L. T.; Rajeshwar Reddy, G.; Mohakhud, Pradeep K.; Mukkanti, K.; Rama Krishna, G.; Malla Reddy, C.; Rambabu, D.; Shiva Kumar, K.; Krishna Priya, K.; Chennubhotla, Keerthana Sarma; Banote, Rakesh Kumar; Kulkarni, Pushkar; Parsa, Kishore V. L.; Pal, Manojit","(Pd/C-mediated)coupling‒iodocyclization‒coupling strategy in discovery of novel PDE4 inhibitors: a new synthesis of pyrazolopyrimidines","MedChemComm","2012","3","6","667","","10.1039/c2md00273f","","","0.71073","MoKα","","0.0301","0.0242","","","0.0906","0.1041","","","","","","0.834","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112574","9.1873","0.0003","10.2806","0.0002","11.8644","0.0003","94.876","0.001","103.767","0.002","102.245","0.001","1052.76","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","4-((2-(4-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methylpiperazin- 1-yl)pyrimidin-5-y","4-((2-(4-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methylpiperazin-1-yl)pyrimidin-5-yloxy)methyl)nicotinonitrile","","- C21 H23 N8 O2 -","- C21 H23 N8 O2 -","- C42 H46 N16 O4 -","2","1","","Goldberg, Kristin; Groombridge, Sam; Hudson, Julian; Leach, Andrew G.; MacFaul, Philip A.; Pickup, Adrian; Poultney, Ruth; Scott, James S.; Svensson, Per H.; Sweeney, Joseph","Oxadiazole isomers: all bioisosteres are not created equal","MedChemComm","2012","3","5","600","","10.1039/c2md20054f","","","0.71073","MoKα","","0.0999","0.0892","","","0.1812","0.1846","","","","","","1.215","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112575","6.8535","0.0017","11.759","0.003","24.167","0.008","90","","90","","90","","1947.6","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-((2-(4-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2- methylpiperazin-1-yl) pyrimidin-5-yloxy)methyl)nicotinonitrile","4-((2-(4-(5-(difluoromethyl)-1,2,4- oxadiazol-3-yl)-2-methylpiperazin-1-yl) pyrimidin-5-yloxy)methyl)nicotinonitrile","","- C19 H18 F2 N8 O2 -","- C19 H18 F2 N8 O2 -","- C76 H72 F8 N32 O8 -","4","1","","Goldberg, Kristin; Groombridge, Sam; Hudson, Julian; Leach, Andrew G.; MacFaul, Philip A.; Pickup, Adrian; Poultney, Ruth; Scott, James S.; Svensson, Per H.; Sweeney, Joseph","Oxadiazole isomers: all bioisosteres are not created equal","MedChemComm","2012","3","5","600","","10.1039/c2md20054f","","","0.71073","MoKα","","0.0411","0.0317","","","0.0848","0.0999","","","","","","1.113","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112576","18.4455","0.0005","5.8641","0.0002","20.5004","0.0006","90","","114.067","0.001","90","","2024.69","0.11","150","2","150","2","","","","","","","synthetised","5","P 1 21/c 1","-P 2ybc","14","5-((1-(4-methoxybenzyl)piperidin-4-yl)methyloxy)pyrrolo (1,2- a)thieno(3,2-e)pyrazine","5-[(1-(4-methoxybenzyl)piperidin-4-yl)methyloxy]pyrrolo [1,2-a]thieno[3,2-e]pyrazine","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","","Lecoutey, Cédric; Rochais, Christophe; Genest, David; Butt-Gueulle, Sabrina; Ballandonne, Céline; Corvaisier, Sophie; Dulin, Fabienne; Lepailleur, Alban; Sopkova-de Oliveira Santos, Jana; Dallemagne, Patrick","Synthesis of dual AChE/5-HT4 receptor multi-target directed ligands","MedChemComm","2012","3","5","627","","10.1039/c2md20063e","","","0.71073","MoKα","","0.0636","0.0404","","","0.0947","0.1074","","","","","","1.018","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112577","11.115","0.003","5.008","0.003","14.112","0.005","90","","92.28","0.01","90","","784.9","0.6","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H9 Cl F3 N3 O2 -","- C16 H9 Cl F3 N3 O2 -","- C32 H18 Cl2 F6 N6 O4 -","2","1","","Masciocchi, Daniela; Villa, Stefania; Meneghetti, Fiorella; Pedretti, Alessandro; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Nakano, Shintaro; Asai, Akira; Gelain, Arianna","Biological and computational evaluation of an oxadiazole derivative (MD77) as a new lead for direct STAT3 inhibitors","MedChemComm","2012","3","5","592","","10.1039/c2md20018j","","","0.71073","MoKα","","0.2155","0.0439","","","","0.0571","","","","","","0.846","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112578","9.8549","0.001","15.641","0.002","16.5024","0.001","90","","100.507","0.006","90","","2501","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cr O5 -","- C29 H32 Cr O5 -","- C116 H128 Cr4 O20 -","4","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.097","0.0497","","","0.1018","0.1167","","","","","","0.984","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112579","7.9722","0.0004","12.8619","0.0007","13.5661","0.0005","68.848","0.003","81.683","0.003","81.459","0.002","1276.66","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 Cr F O5 -","- C29 H31 Cr F O5 -","- C58 H62 Cr2 F2 O10 -","2","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.051","0.0354","","","0.0853","0.0903","","","","","","1.059","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112580","8.9498","0.0005","11.2208","0.0009","13.8926","0.0011","90.023","0.003","106.008","0.004","104.171","0.005","1296.78","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Cr O5 -","- C30 H34 Cr O5 -","- C60 H68 Cr2 O10 -","2","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.0735","0.0415","","","0.0976","0.1162","","","","","","0.979","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112581","32.4358","0.0019","34.6","0.002","9.8268","0.0005","90","","90","","90","","11028.4","1.1","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H31 Cr F3 O5 -","- C30 H31 Cr F3 O5 -","- C480 H496 Cr16 F48 O80 -","16","1","","Saiai, Aroonchai; Bielig, Harald; Velder, Janna; Neudörfl, Jörg-Martin; Menning, Maureen; Kufer, Thomas A.; Schmalz, Hans-Günther","Hydrophenalene‒Cr(CO)3 complexes as anti-inflammatory agents based on specific inhibition of NOD2 signalling: a SAR study","MedChemComm","2012","3","11","1377","","10.1039/c2md20221b","","","0.71073","MoKα","","0.0545","0.0385","","","0.0781","0.0836","","","","","","1.039","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112582","9.2497","0.0007","10.8904","0.0009","11.0733","0.0009","84.708","0.006","73.497","0.006","69.745","0.006","1003.34","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Br Cl2 N2 O4 S -","- C19 H11 Br Cl2 N2 O4 S -","- C38 H22 Br2 Cl4 N4 O8 S2 -","2","1","","Ali, Sher; Saeed, Aamer; Abbas, Naeem; Shahid, Mohammad; Bolte, Michael; Iqbal, Jamshed","Design, synthesis and molecular modelling of novel methyl[4-oxo-2-(aroylimino)-3-(substituted phenyl)thiazolidin-5-ylidene]acetates as potent and selective aldose reductase inhibitors","MedChemComm","2012","3","11","1428","","10.1039/c2md20228j","","","0.71073","MoKα","","0.0799","0.0676","","","0.1817","0.1928","","","","","","1.037","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112583","5.6345","0.0003","6.2244","0.0003","16.3779","0.0009","90","","92.902","0.004","90","","573.66","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","","Luo, Yi; Li, Xiaoling; Chen, Tianfeng; Wang, Yi; Zheng, Wenjie","Synthesis of a novel thiophene derivative that induces cancer cell apoptosis through modulation of AKT and MAPK pathways","MedChemComm","2012","3","9","1143","","10.1039/c2md20041d","","","0.71073","MoKα","","0.0752","0.0609","","","0.1745","0.19","","","","","","1.092","","","","has coordinates","301857","2025-08-21","22:47:16",""
"7112584","51.309","0.006","7.2426","0.001","10.7246","0.0012","90","","94.098","0.006","90","","3975.2","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H27 Fe N3 O2 -","- C21 H27 Fe N3 O2 -","- C168 H216 Fe8 N24 O16 -","8","1","","Spencer, John; Amin, Jahangir; Boddiboyena, Ramesh; Packham, Graham; Cavell, Breeze E.; Syed Alwi, Sharifah S.; Paranal, Ronald M.; Heightman, Tom D.; Wang, Minghua; Marsden, Brian; Coxhead, Peter; Guille, Matthew; Tizzard, Graham J.; Coles, Simon J.; Bradner., James E.","Click JAHAs: conformationally restricted ferrocene-based histone deacetylase inhibitors","MedChemComm","2012","3","1","61","","10.1039/c1md00203a","","","0.71073","MoKα","","0.1332","0.0816","","","0.1966","0.2289","","","","","","1.046","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7150000","5.773","0.001","22.641","0.003","10.86","0.02","90","","105.38","0.002","90","","1369","3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O15 -","- C22 H31 N O15 -","- C44 H62 N2 O30 -","2","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71069","MoKα","","0.1852","0.0617","","","0.0844","0.1141","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:11:44",""
"7150001","5.356","0.002","6.688","0.002","16.787","0.007","90","","96.99","0.03","90","","596.9","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","1","","Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung","Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.","Organic & biomolecular chemistry","2005","3","1","162","171","10.1039/b410556g","","x-ray","0.71073","MoKα","","0.0829","0.0534","","","0.1216","0.1404","","","","","","1.146","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150002","10.131","0.002","20.904","0.004","12.459","0.002","90","","92.53","0.03","90","","2636","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N3 O7 -","- C26 H35 N3 O7 -","- C104 H140 N12 O28 -","4","2","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0439","0.0359","","","0.0845","0.0883","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150003","10.967","0.002","14.024","0.003","16.422","0.003","90","","90","","90","","2525.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.1221","0.0647","","","0.1538","0.1809","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150004","9.491","0.002","9.73","0.002","28.504","0.006","90","","90","","90","","2632.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N3 O7 -","- C26 H37 N3 O7 -","- C104 H148 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis–scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0592","0.0358","","","0.0665","0.0737","","","","","","0.948","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150005","20.362","0.002","7.2285","0.0013","10.2891","0.0014","90","","90","","90","","1514.4","0.4","175","2","175","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C20 H10 Ag Cl O4 -","- C20 H10 Ag Cl O4 -","- C80 H40 Ag4 Cl4 O16 -","4","0.5","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0818","0.0597","","","0.1483","0.1632","","","","","","1.067","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150006","12.6903","0.0015","22.206","0.002","12.8975","0.0017","90","","107.637","0.008","90","","3463.7","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H20 Ag2 F6 O6 S2 -","- C42 H20 Ag2 F6 O6 S2 -","- C168 H80 Ag8 F24 O24 S8 -","4","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.0637","0.0496","","","0.1319","0.1609","","","","","","1.08","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150007","9.5741","0.0002","9.6621","0.0002","10.6735","0.0002","98.3042","0.0013","110.394","0.0013","101.488","0.0009","882.01","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Ag2 B2 F8 -","- C20 H10 Ag2 B2 F8 -","- C40 H20 Ag4 B4 F16 -","2","1","","Elliott, Eric L.; Hernández, Gerardo A; Linden, Anthony; Siegel, Jay S.","Anion mediated structural motifs in silver(I) complexes with corannulene.","Organic & biomolecular chemistry","2005","3","3","407","413","10.1039/b411987h","","","0.71073","MoKα","","0.04","0.0301","","","0.0705","0.0752","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7150008","3.9763","0.0003","11.8245","0.001","24.323","0.002","90","","94.353","0.007","90","","1140.31","0.16","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.1029","0.0587","","","0.1606","0.19","","","","","","1.255","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150009","18.985","0.003","3.9181","0.0006","14.504","0.002","90","","103.443","0.011","90","","1049.3","0.3","122","","","","","","","","","","Local laboratory","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B","Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.","Organic & biomolecular chemistry","2005","3","3","508","514","10.1039/b412971g","","","0.71073","MoKα","","0.0875","0.0529","","","0.1476","0.1729","","","","","","1.176","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150010","9.766","0.003","9.337","0.002","13.7672","0.0017","90","","102.381","0.017","90","","1226.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71069","Mo-Kα","","0.0814","0.047","","","0.1114","0.1362","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150011","7.66","0.002","14.61","0.003","10.367","0.002","90","","91.13","0.03","90","","1160","0.4","140","1","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","1","","Rejzek, Martin; Stockman, Robert A.; Hughes, David L.","Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.","Organic & biomolecular chemistry","2005","3","1","73","83","10.1039/b413052a","","","0.71073","Mo-Kα","","0.0422","0.0389","","","0.1015","0.1034","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150012","10.263","0.001","16.066","0.002","16.779","0.002","82.544","0.005","85.022","0.006","80.666","0.006","2700.8","0.5","173.1","","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C149 H116 N4 Zn -","- C100 H60 N4 Zn -","- C100 H60 N4 Zn -","1","0.5","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0554","0.0484","","","0.1467","0.1515","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150013","22.627","0.0013","22.627","0.0013","12.7634","0.0008","90","","90","","90","","6534.6","0.7","123.1","","123","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C162 H107 Br9 N4 -","- C132 H82 Br4 N4 -","- C264 H164 Br8 N8 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1168","0.089","","","0.2291","0.2378","","","","","","1.242","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150014","22.4739","0.0008","22.4739","0.0008","12.8564","0.0003","90","","90","","90","","6493.5","0.4","123.2","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C168 H110 Cl10 N4 Zn -","- C108 H60 N4 Zn -","- C216 H120 N8 Zn2 -","2","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0851","0.0684","","","0.1946","0.1987","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150015","19.39","0.001","19.39","0.001","36.077","0.002","90","","90","","90","","13563.9","1.2","173.2","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C180 H134 N4 -","- C720 H536 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.065","","","","0.1587","","","","","","1.117","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150016","19.3904","0.001","19.3904","0.001","36.077","0.002","90","","90","","90","","13564.5","1.2","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C180 H134 N4 -","- C108 H62 N4 -","- C432 H248 N16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0789","0.0658","","","0.191","0.198","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150017","19.72","0.001","19.72","0.001","35.239","0.004","90","","90","","90","","13703.7","1.8","173.2","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C168 H134 Cl8 N4 O4 -","- C168 H134 Cl8 N4 O4 -","- C672 H536 Cl32 N16 O16 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0968","","","","0.2407","","","","","","1.214","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150018","19.612","0.003","19.612","0.002","36.445","0.008","90","","90","","90","","14018","4","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Zn -","- C180 H132 N4 Zn -","- C720 H528 N16 Zn4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1355","0.0592","","","0.1342","0.1589","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150019","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.2","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C180 H132 N4 Ni -","- C720 H528 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","","0.0697","","","","0.173","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150020","19.6502","0.001","19.6502","0.001","35.387","0.003","90","","90","","90","","13664","1.5","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C168 H132 Cl8 N4 Ni O4 -","- C108 H60 N4 Ni -","- C432 H240 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.111","0.0747","","","0.1976","0.2036","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150021","19.2176","0.0008","19.2176","0.0008","36.142","0.002","90","","90","","90","","13347.8","1.1","123.1","","123","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C180 H132 N4 Ni -","- C132 H84 N4 Ni -","- C528 H336 N16 Ni4 -","4","0.25","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.0743","0.0614","","","0.164","0.17","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150022","16.2354","0.0018","18.758","0.003","19.2789","0.0017","78.364","0.009","63.381","0.006","88.391","0.01","5128","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C127 H88 Cl14 N4 -","- C114 H68 N4 -","- C228 H136 N8 -","2","1","","Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru","Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.","Organic & biomolecular chemistry","2005","3","3","448","453","10.1039/b413082k","","","0.7107","MoKa","","0.1245","0.0844","","","0.1909","0.2006","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150023","8.0407","0.0008","11.7673","0.0011","11.2852","0.001","90","","108.476","0.002","90","","1012.74","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O6 -","- C7 H6 N4 O6 -","- C28 H24 N16 O24 -","4","1","","Katritzky, Alan R.; Scriven, Eric F. V.; Majumder, Suman; Akhmedova, Rena G.; Vakulenko, Anatoliy V.; Akhmedov, Novruz G.; Murugan, Ramiah; Abboud, Khalil A.","Preparation of nitropyridines by nitration of pyridines with nitric acid.","Organic & biomolecular chemistry","2005","3","3","538","541","10.1039/b413285h","","","0.71073","MoKα","","0.0496","0.0358","","","0.102","0.1057","","","","","","1.109","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150024","16.7651","0.0015","29.395","0.003","24.507","0.002","90","","95.993","0.007","90","","12011.3","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C512 H512 N32 O96 -","8","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.2104","0.0948","","","0.2458","0.3033","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150025","14.1953","0.0007","14.6587","0.0007","15.3671","0.0007","111.121","0.004","92.666","0.004","99.425","0.004","2923.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N4 O12 -","- C64 H64 N4 O12 -","- C128 H128 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0605","0.0511","","","0.1427","0.1492","","","","","","1.047","","","","has coordinates,has disorder","301861","2025-08-22","11:11:45",""
"7150026","13.4904","0.0006","14.1373","0.0007","17.7409","0.0008","83.459","0.004","69.464","0.004","76.454","0.004","3078.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H70 Cl2 N4 O12 -","- C67 H70 Cl2 N4 O12 -","- C134 H140 Cl4 N8 O24 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.106","0.0896","","","0.2944","0.3124","","","","","","1.29","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150027","10.3423","0.0007","13.161","0.0009","16.5605","0.0011","101.868","0.005","96.988","0.005","91.968","0.005","2185.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H58 N2 O8 -","- C48 H58 N2 O8 -","- C96 H116 N4 O16 -","2","1","","Danila, Crenguta; Bolte, Michael; Böhmer, Volker","1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.","Organic & biomolecular chemistry","2005","3","1","172","184","10.1039/b414173c","","","0.71073","MoKα","","0.0503","0.0388","","","0.1039","0.1077","","","","","","1.045","","","","has coordinates,has disorder","301861","2025-08-22","11:11:45",""
"7150028","5.5369","0.0004","8.5297","0.0008","27.769","0.003","90","","90","","90","","1311.5","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Cobb, Alexander J. A.; Shaw, David M.; Longbottom, Deborah A.; Gold, Johan B.; Ley, Steven V.","Organocatalysis with proline derivatives: improved catalysts for the asymmetric Mannich, nitro-Michael and aldol reactions.","Organic & biomolecular chemistry","2005","3","1","84","96","10.1039/b414742a","","","0.71073","MoKα","","0.0855","0.0649","","","0.1626","0.1726","","","","","","1.17","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150029","6.4273","0.0003","15.6636","0.0008","18.992","0.0009","90","","90","","90","","1912.01","0.16","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","ter Wiel, Matthijs K. J.; Vicario, Javier; Davey, Stephen G.; Meetsma, Auke; Feringa, Ben L.","New procedure for the preparation of highly sterically hindered alkenes using a hypervalent iodine reagent.","Organic & biomolecular chemistry","2005","3","1","28","30","","","","0.71073","MoKα","","0.0298","0.0292","","","0.0767","0.0773","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150030","10.5744","0.0004","9.1217","0.0003","11.7111","0.0004","90","","115.825","0.002","90","","1016.8","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stb8b1","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C44 H56 O8 S4 -","4","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0522","0.0418","","","0.0963","0.1014","","","","","","1.181","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150031","7.5387","0.0005","6","0.0005","11.4544","0.0008","90","","91.308","0.005","90","","517.97","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","stb8b2","","","- C11 H14 O2 S -","- C11 H14 O2 S -","- C22 H28 O4 S2 -","2","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.1133","0.11","","","0.2717","0.2753","","","","","","1.179","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150032","20.9699","0.0009","20.9699","0.0009","11.2756","0.0006","90","","90","","90","","4958.3","0.4","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","pt1812","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C192 H304 N16 O32 S16 -","16","1","","Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia","Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.","Organic & biomolecular chemistry","2005","3","3","404","406","10.1039/b415529g","","","0.71073","MoKα","","0.0866","0.0434","","","0.0804","0.093","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150033","7.4377","0.0002","8.3035","0.0002","9.2515","0.0003","73.265","0.002","67.994","0.002","71.219","0.002","492.34","0.03","100","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C16 H24 N4 O10 -","2","1","","Hibbs, David E.; Overgaard, Jacob; Howard, Siân T; Nguyen, Thanh Ha","Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.","Organic & biomolecular chemistry","2005","3","3","441","447","10.1039/b416118a","","","0.71069","MoKα","","0.0584","0.051","","","0.1431","0.1529","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150034","6.6491","0.0004","6.8227","0.0004","25.8973","0.0014","90","","90","","90","","1174.83","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I O2 -","- C12 H13 I O2 -","- C48 H52 I4 O8 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0158","0.015","","","0.0336","0.0338","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150035","4.9818","0.0005","9.4157","0.001","37.792","0.004","90","","90","","90","","1772.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0618","0.0432","","","0.0963","0.1036","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150036","7.997","0.002","12.221","0.002","11.812","0.002","90","","100.647","0.004","90","","1134.5","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(Diethoxy-phosphoryl)-3-methyl-4-oxo-2-(toluene-4-sulfonylamino)- pentanoic acid ethyl ester","","- C19 H30 N O8 P S -","- C19 H30 N O8 P S -","- C38 H60 N2 O16 P2 S2 -","2","1","","Kjaersgaard, Anne; Jørgensen, Karl Anker","Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.","Organic & biomolecular chemistry","2005","3","5","804","808","10.1039/b416294c","","","0.71073","MoKα","","","0.033","","","","0.048","","","","","","1.188","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150037","8.3773","0.0002","9.1657","0.0003","12.7261","0.0004","94.81","0.001","96.374","0.001","108.948","0.001","910.99","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0879","0.0567","","","0.1596","0.2074","","","","","","1.165","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150038","8.3762","0.0002","9.1588","0.0003","12.7193","0.0004","94.893","0.001","96.401","0.001","108.872","0.001","909.89","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol p-xylene clathrate","","- C24 H21 O3 -","- C24 H21 O3 -","- C48 H42 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.133","0.1137","","","0.3574","0.3761","","","","","","1.711","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150039","8.3719","0.0004","9.1093","0.0005","12.6935","0.0007","97.482","0.002","103.946","0.002","109.425","0.003","862.3","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.2241","0.2028","","","0.5102","0.5249","","","","","","2.409","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150040","8.3763","0.0001","9.0965","0.0002","12.6943","0.0003","97.485","0.001","104.164","0.001","109.388","0.001","860.68","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.089","0.051","","","0.1457","0.2044","","","","","","1.107","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150041","8.3757","0.0001","9.1004","0.0001","12.6928","0.0002","97.541","0.001","104.053","0.001","109.405","0.001","861.14","0.02","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol benzene clathrate","","- C23 H19 O3 -","- C23 H19 O3 -","- C46 H38 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0486","0.0396","","","0.1032","0.1087","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150042","8.3654","0.0001","9.0652","0.0001","12.873","0.0003","96.696","0.001","94.048","0.001","109.717","0.001","906.38","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol o-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.099","0.0904","","","0.2273","0.2341","","","","","","1.071","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150043","8.4902","0.0001","9.1923","0.0001","12.9946","0.0002","95.62","0.001","94.84","0.001","109.66","0.001","942.97","0.02","283","","283","","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C24 H21 O3 -","- C24 H16 O3 -","- C48 H32 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0904","0.0746","","","0.2286","0.2463","","","","","","1.085","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150044","8.415","0.0002","18.2852","0.0003","12.7741","0.0004","95.637","0.001","94.919","0.001","109.717","0.001","1826.48","0.08","113","2","113","2","","","","","","","","3","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol m-xylene clathrate","","- C48 H42 O6 -","- C48 H42 O6 -","- C96 H84 O12 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin","Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.","Organic & biomolecular chemistry","2005","3","7","1319","1322","10.1039/b416331a","","","0.71073","MoKα","","0.0914","0.0485","","","0.1133","0.13","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150045","10.197","0.005","16.139","0.008","10.043","0.005","90","","114.16","0.006","90","","1508","1.3","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C70 H72 N4 O8 -","2","1","","Kawabata, Takeo; Majumdar, Swapan; Tsubaki, Kazunori; Monguchi, Daiki","Memory of chirality in intramolecular conjugate addition of enolates: a novel access to nitrogen heterocycles with contiguous quaternary and tertiary stereocenters.","Organic & biomolecular chemistry","2005","3","9","1609","1611","10.1039/b416535g","","","0.7107","MoKα","","0.0875","0.0621","","","0.1216","0.1359","","","","","","1.103","","","","has coordinates,has disorder","301861","2025-08-22","11:11:45",""
"7150046","8.964","0.006","6.265","0.004","11.241","0.008","90","","107.109","0.018","90","","603.4","0.7","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3'-Biquinoline","3,3'-Biquinoline","","- C18 H12 N2 -","- C18 H12 N2 -","- C36 H24 N4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.1043","0.0433","","","0.0907","0.1035","","","","","","0.843","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150047","8.557","0.004","6.33","0.003","11.841","0.005","90","","106.689","0.006","90","","614.4","0.5","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7","2,2'-biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0802","0.0547","","","0.1184","0.1328","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150048","5.779","0.003","5.35","0.003","18.906","0.01","90","","91.466","0.007","90","","584.3","0.5","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8","2,2'-biquinoxaline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0438","0.0359","","","0.1067","0.1112","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150049","22.523","0.017","3.912","0.003","6.979","0.005","90","","106.14","0.01","90","","590.7","0.8","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","4,4'-Biquinazoline","4,4'-Biquinazoline","","- C16 H10 N4 -","- C16 H10 N4 -","- C32 H20 N8 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0608","0.0457","","","0.1045","0.1082","","","","","","0.965","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150050","4.627","0.001","16.48","0.002","7.004","0.001","90","","94.34","0.01","90","","532.54","0.15","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2'-Bibenzoxazole","2,2'-Bibenzoxazole","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0656","0.0441","","","0.1071","0.1126","","","","","","0.92","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150051","8.993","0.001","5.988","0.001","11.445","0.002","90","","110.87","0.01","90","","575.88","0.16","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-Bibenzothiazole","2,2'-Bibenzothiazole","","- C14 H8 N2 S2 -","- C14 H8 N2 S2 -","- C28 H16 N4 S4 -","2","0.5","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0483","0.0342","","","0.0841","0.0876","","","","","","0.928","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150052","7.277","0.003","7.639","0.003","19.94","0.008","90","","90","","90","","1108.4","0.8","168","2","168","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,1'-bibenzotriazole","1,1'-bibenzotriazole","","- C12 H8 N6 -","- C12 H8 N6 -","- C48 H32 N24 -","4","1","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0781","0.0558","","","0.1233","0.1331","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150053","13.3374","0.0017","7.6406","0.001","15.5158","0.0019","90","","98.311","0.004","90","","1564.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","28-epi-cyasterone 2","","","- C29 H50 O11 -","- C29 H44 O11 -","- C58 H88 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.2112","0.1447","","","0.3689","0.4073","","","","","","1.303","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150054","13.6542","0.0011","7.7755","0.0004","15.7636","0.0012","90","","100.215","0.003","90","","1647.1","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","cyasterone 1","","","- C32 H56 O11 -","- C32 H56 O11 -","- C64 H112 O22 -","2","1","","Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori","Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.","Organic & biomolecular chemistry","2005","3","7","1227","1232","10.1039/b416868b","","","1.54184","CuKα","","0.0667","0.0647","","","0.1674","0.1693","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150055","22.845","0.004","11.858","0.002","7.188","0.001","90","","90","","90","","1947.2","0.5","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1-Methyl-3-phenyl-5-(thienyl-2)-7,8- dimethoxypyrazolo(3,4)isoquinoline","1-Methyl-3-phenyl-5-(thienyl-2)-7,8-dimethoxypyrazolo[3,4]isoquinoline","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0528","0.0392","","","0.0797","0.0847","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150056","7.086","0.001","10.791","0.003","12.85","0.002","104.16","0.02","105.87","0.02","95.86","0.01","901.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1-methyl-3-phenyl-7,8-dimethoxypyrazolo(3,4-c)isoquinoline, acetonitile solvate","1-methyl-3-phenyl-7,8-dimethoxypyrazolo[3,4-c]isoquinoline, acetonitile solvate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C42 H40 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.0653","0.0404","","","0.0951","0.105","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150057","8.944","0.004","12.945","0.005","13.918","0.007","64.13","0.02","73.04","0.02","81","0.02","1386.1","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-(4-(dimethylamino)phenyl)-7,8-dimethoxypyrazolo(3,4- c)isoquinoline","5-{4-(dimethylamino)phenyl}- 7,8-dimethoxypyrazolo[3,4-c]isoquinoline","","- C35 H34 N4 O2 -","- C35 H34 N4 O2 -","- C70 H68 N8 O4 -","2","1","","Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.","A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.","Organic & biomolecular chemistry","2005","3","5","932","940","10.1039/b417002d","","","0.71073","MoKα","","0.1166","0.0505","","","0.0787","0.0932","","","","","","0.835","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150058","10.113","0.002","10.206","0.002","29.277","0.007","90","","90","","90","","3021.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O2 -","- C40 H36 O2 -","- C160 H144 O8 -","4","1","","Huang, Jin-Wen; Shi, Min","Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.","Organic & biomolecular chemistry","2005","3","3","399","400","10.1039/b417139j","","","0.71073","MoKα","","0.2113","0.0555","","","0.0742","0.1046","","","","","","0.635","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150059","19.3595","0.0013","8.8441","0.0006","16.7833","0.0011","90","","115.701","0.001","90","","2589.3","0.3","115","2","115","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0421","0.0383","","","0.1048","0.1087","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150060","9.2508","0.0009","9.313","0.0009","15.5363","0.0015","100.325","0.002","90.36","0.002","99.592","0.002","1297.5","0.2","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","2","","Foot, Jonathan S.; Giblin, Gerard M. P.; Whitwood, A. C.; Taylor, R. J. K.","Unexpected Z-stereoselectivity in the Ramberg-Bäcklund reaction of diarylsulfones leading to cis-stilbenes: the effect of aryl substituents and application in the synthesis of the integrastatin nucleus.","Organic & biomolecular chemistry","2005","3","5","756","763","10.1039/b418426b","","","0.71073","MoKα","","0.0713","0.0427","","","0.0917","0.1019","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150061","9.7754","0.0007","9.7754","0.0007","20.3627","0.0019","90","","90","","120","","1685.1","0.2","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C54 H72 N36 O24 -","6","1","","Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank","1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine.","Organic & biomolecular chemistry","2005","3","9","1714","1718","10.1039/b418849g","","","0.71073","MoKα","","0.0424","0.0396","","","0.1159","0.1207","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150062","10.0036","0.0007","27.0011","0.0018","12.1811","0.0008","90","","95.159","0.001","90","","3276.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-hydroxy-3,6,11-trimethyl-1,2,4a,13a-tetrahydro-5,12-dioxa- dibenzo(a,e)cyclo-nonan-13-one","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","4","","Lemiègre, Loïc; Stevens, Richard L.; Combret, Jean-Claude; Maddaluno, Jacques","Ring fission of chiral cyclic acetals plus intramolecular [4 + 2] cycloaddition: a sequential access to medium-size lactones. Application to the synthesis of carbasugars.","Organic & biomolecular chemistry","2005","3","7","1308","1318","10.1039/b419381d","","","0.71073","MoKα","","0.0581","0.045","","","0.0854","0.0901","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150063","9.3969","0.0003","10.5034","0.0003","10.5516","0.0004","71.075","0.001","88.902","0.002","81.541","0.001","973.97","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N3 O -","- C22 H18 Br N3 O -","- C44 H36 Br2 N6 O2 -","2","1","","Sim°unek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.0409","0.0342","","","0.0812","0.085","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150064","25.8225","0.0003","10.7493","0.0002","15.627","0.0003","90","","117.694","0.001","90","","3840.74","0.12","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H24 N4 O -","- C21.5 H23.5 N4 O -","- C172 H188 N32 O8 -","8","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.7107","MoKα","","0.059","0.0519","","","0.1198","0.1259","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150065","5.7502","0.0001","29.873","0.001","9.1184","0.0003","90","","101.11","0.002","90","","1536.97","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","","Simůnek, Petr; Bertolasi, Valerio; Pesková, Markéta; Machácek, Vladimír; Lycka, Antonín","Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone.","Organic & biomolecular chemistry","2005","3","7","1217","1226","10.1039/b500173k","","","0.71073","MoKα","","0.1437","0.0587","","","0.1075","0.1347","","","","","","1.031","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150066","11.48","0.0003","12.8012","0.0004","28.1994","0.0008","90","","90","","90","","4144.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 Cu N4 O6 -","- C41 H56 Cu N4 O6 -","- C164 H224 Cu4 N16 O24 -","4","1","","Gottschaldt, Michael; Koth, Daniel; Görls, Helmar","Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine.","Organic & biomolecular chemistry","2005","3","7","1170","1171","10.1039/b500785b","","","0.71073","MoKα","","0.0775","0.0534","","","0.1039","0.1155","","","","","","1.065","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150067","5.7388","0.0001","9.4909","0.0001","38.243","0.0008","90","","90","","90","","2082.96","0.06","100","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 N O6 -","- C19 H33 N O6 -","- C76 H132 N4 O24 -","4","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0715","0.043","","","0.098","0.1113","","","","","","1.044","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150068","8.7774","0.0004","8.3066","0.0004","13.4961","0.0008","90","","96.211","0.0017","90","","978.23","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O7 -","- C17 H31 N O7 -","- C34 H62 N2 O14 -","2","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0491","0.0437","","","0.1123","0.1169","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150069","6.3217","0.0002","13.4551","0.0004","17.512","0.0005","90","","93.06","0.0016","90","","1487.43","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R,5S,5S)-Spiro(6,6-dimethyl-bicyclo(3.1.1)heptane)-2,5-(5,6- dihydro-(1,3)dithiolo(4,5-b)(1,4)dithiine-2-thione)","(1R,5S,5S)-Spiro[6,6-dimethyl-bicyclo[3.1.1]heptane]-2,5- [5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione]","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","2","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0682","0.0422","","","0.0989","0.1131","","","","","","0.82","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150070","7.2322","0.0002","9.3635","0.0002","11.3961","0.0003","90","","106.405","0.0011","90","","740.31","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6- trimethyl-1,3-dithiolo(4,5-b)-(1,4)benzodithiin-2-thione","(4aR,5R,7S,8aS)-4a,5,6,7,8,8a-Hexahydro-5,7-methano-4a,6,6-trimethyl- 1,3-dithiolo[4,5-b]-[1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C26 H32 S10 -","2","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0418","0.0386","","","0.091","0.0932","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150071","7.609","0.0001","9.789","0.0002","20.1711","0.0005","90","","90","","90","","1502.43","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a- methyl-1,3-dithiolo (4,5-b)(1,4)benzodithiin-2-thione","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a-methyl-1,3-dithiolo [4,5-b][1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0283","0.0253","","","0.0594","0.0603","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150072","14.324","0.006","22.806","0.006","26.47","0.008","90","","97.2","0.03","90","","8579","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.26 H53.06 F6 N O12.27 P -","- C42.265 H52.795 F6 N O12.265 P -","- C338.12 H422.36 F48 N8 O98.12 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.1119","0.0578","","","0.1477","0.1901","","","","","","0.962","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150073","10.3429","0.0007","12.6823","0.0009","13.1381","0.0009","83.774","0.001","72.711","0.001","77.938","0.001","1607.17","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C56 H72 F12 K2 O24 P2 -","2","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0466","0.0392","","","0.095","0.0988","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150074","13.8926","0.0014","12.4235","0.0011","8.2043","0.0008","90","","105.243","0.009","90","","1366.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","HW-trans-24C8","","","- C28 H36 O12 -","- C28 H36 O12 -","- C56 H72 O24 -","2","0.5","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","x-ray","0.71073","MoKα","","0.0845","0.0649","","","0.1886","0.2109","","","","","","1.139","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150075","16.84","0.002","19.447","0.003","19.41","0.002","90","","91.429","0.011","90","","6354.6","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[K-trans24c8][PF6]","","","- C28 H36 F6 K O12 P -","- C28 H36 F6 K O12 P -","- C224 H288 F48 K8 O96 P8 -","8","1","","Gibson, Harry W.; Wang, Hong; Bonrad, Klaus; Jones, Jason W.; Slebodnick, Carla; Zackharov, Lev N.; Rheingold, Arnold L.; Habenicht, Bradley; Lobue, Peter; Ratliff, Amy E.","Regioselective routes to disubstituted dibenzo crown ethers and their complexations.","Organic & biomolecular chemistry","2005","3","11","2114","2121","10.1039/b503072m","","","0.71073","MoKα","","0.0756","0.0585","","","0.1704","0.1926","","","","","","1.139","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150076","7.7237","0.0007","9.8885","0.0009","11.0929","0.001","81.444","0.002","70.937","0.002","89.529","0.002","791.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(cyclopentadienyl)-p-toluoyltitanium bromide","","","- C18 H17 Br O Ti -","- C18 H17 Br O Ti -","- C36 H34 Br2 O2 Ti2 -","2","1","","Han, Zhenfu; Fujioka, Takuma; Usugi, Shin-Ichi; Yorimitsu, Hideki; Shinokubo, Hiroshi; Oshima, Koichiro","A new method for the synthesis of acyltitanium complexes and their application to copper-mediated acylmetallation of carbon-carbon multiple bonds in aqueous media.","Organic & biomolecular chemistry","2005","3","9","1622","1623","10.1039/b503117f","","","0.71073","MoKα","","0.0417","0.0335","","","0.0892","0.0926","","","","","","0.98","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150077","6.9505","0.0008","28.848","0.003","7.3706","0.0008","90","","116.961","0.002","90","","1317.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0512","0.041","","","0.0964","0.1006","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150078","5.1517","0.0014","11.726","0.003","18.705","0.005","90","","94.289","0.005","90","","1126.8","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O5 S -","- C10 H10 N2 O5 S -","- C40 H40 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0746","0.0545","","","0.1061","0.1137","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150079","10.162","0.0008","21.4665","0.0017","5.435","0.0004","90","","90","","90","","1185.6","0.16","130","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H10 N2 O6 -","- C11 H10 N2 O6 -","- C44 H40 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.039","0.0375","","","0.0915","0.0924","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150080","11.503","0.002","7.7574","0.0016","12.737","0.003","90","","111.04","0.004","90","","1060.8","0.4","130","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0702","0.046","","","0.0923","0.0991","","","","","","0.94","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150081","11.1796","0.0017","7.2234","0.0011","12.745","0.002","90","","115.033","0.003","90","","932.5","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0783","0.0496","","","0.1028","0.1123","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150082","14.0459","0.0019","7.8502","0.0011","14.279","0.002","90","","115.424","0.002","90","","1422","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0426","0.0379","","","0.1012","0.1037","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150083","10.3778","0.0008","12.0317","0.001","11.3503","0.0009","90","","104.395","0.002","90","","1372.73","0.19","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C52 H56 N8 O20 S4 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.048","0.0381","","","0.0853","0.0888","","","","","","0.975","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150084","6.1596","0.0006","7.902","0.0008","24.235","0.002","90","","90","","90","","1179.59","0.19","130","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O7 -","- C10 H9 N3 O7 -","- C40 H36 N12 O28 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0433","0.0381","","","0.0793","0.0814","","","","","","1.007","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150085","5.225","0.002","15.283","0.009","43.03","0.01","90","","90","","90","","3436","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O5 -","- C41 H43 N O5 -","- C164 H172 N4 O20 -","4","1","","Masson, Géraldine; Philouze, Christian; Py, Sandrine","Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine.","Organic & biomolecular chemistry","2005","3","11","2067","2069","10.1039/b503981a","","","0.71073","MoKα","","0.0481","0.0481","","0.0516","","0.0516","","","1.839","","","1.839","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150086","11.2674","0.001","19.6076","0.0016","12.0348","0.001","90","","117.463","0.002","90","","2359.2","0.3","295","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","2","","Zammit, Steven C.; White, Jonathan M.; Rizzacasa, Mark A.","Enantiospecific synthesis of (-)-trachyspic acid.","Organic & biomolecular chemistry","2005","3","11","2073","2074","10.1039/b504258e","","","0.71073","MoKα","","0.0979","0.0457","","","0.074","0.0856","","","","","","0.787","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150087","23.6543","0.0005","30.2367","0.0001","31.2827","0.0006","90","","90","","90","","22374.3","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 N30 O31 Pt -","- C50 H56 N30 O31 Pt -","- C600 H672 N360 O372 Pt12 -","12","3","","Jeon, Young Jin; Kim, Soo-Young; Ko, Young Ho; Sakamoto, Shigeru; Yamaguchi, Kentaro; Kim, Kimoon","Novel molecular drug carrier: encapsulation of oxaliplatin in cucurbit[7]uril and its effects on stability and reactivity of the drug.","Organic & biomolecular chemistry","2005","3","11","2122","2125","10.1039/b504487a","","","0.71073","MoKα","","0.1643","0.0827","","","0.1744","0.2162","","","","","","1.04","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150088","12.723","0.001","5.3119","0.0003","17.908","0.001","90","","100.305","0.003","90","","1190.76","0.13","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 N3 O6 S -","- C22 H31 N3 O6 S -","- C44 H62 N6 O12 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.08","","","","0.154","","","","","","1.389","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150089","11.2302","0.0004","5.539","0.0002","17.85","0.001","90","","95.444","0.002","90","","1105.33","0.08","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 N3 O5 S -","- C22 H29 N3 O5 S -","- C44 H58 N6 O10 S2 -","2","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.067","","","","0.067","","","","","","1.447","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150090","5.0426","0.0006","7.6092","0.0007","21.615","0.003","90","","90","","90","","829.37","0.17","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Cl N2 O -","- C6 H13 Cl N2 O -","- C24 H52 Cl4 N8 O4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.046","","","","0.092","","","","","","0.881","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150091","5.212","0.004","13.5426","0.0008","22.162","0.002","90","","90","","90","","1564.3","1.2","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.056","","","","0.109","","","","","","0.948","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150092","10.7","0.04","13.81","0.05","15.55","0.06","90","","90","","90","","2298","15","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Br K N5 O4 -","- C20 H31 Br K N5 O4 -","- C80 H124 Br4 K4 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0823","0.0584","","","0.1436","0.1558","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150093","8.321","0.007","9.079","0.007","14.321","0.012","101.75","0.02","101.706","0.016","103.15","0.02","995.6","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N5 O S2 -","- C18 H26 N5 O S2 -","- C36 H52 N10 O2 S4 -","2","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0682","0.0533","","","0.136","0.1444","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150094","9.572","0.002","23.209","0.005","10.117","0.002","90","","112.214","0.004","90","","2080.7","0.8","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N5 O4 -","- C20 H31 N5 O4 -","- C80 H124 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1184","0.0539","","","0.1016","0.1216","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150095","8.324","0.004","17.781","0.009","13.033","0.005","90","","103.797","0.013","90","","1873.3","1.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 N5 O3 -","- C18 H27 N5 O3 -","- C72 H108 N20 O12 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1343","0.0706","","","0.1572","0.186","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150096","12.683","0.006","14.165","0.006","23.626","0.01","90","","98.43","0.01","90","","4199","3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N10 S6 -","- C36 H54 N10 S6 -","- C144 H216 N40 S24 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.1224","0.0683","","","0.1551","0.1807","","","","","","1.025","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150097","10.7399","0.0006","12.8444","0.0008","17.6182","0.0011","90","","90","","90","","2430.4","0.3","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O4 P -","- C29 H27 O4 P -","- C116 H108 O16 P4 -","4","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.1374","0.069","","","0.1201","0.1428","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150098","13.165","0.0008","28.102","0.002","7.2735","0.0003","90","","90","","90","","2690.9","0.3","180","2","180","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.0798","0.0579","","","0.1182","0.1265","","","","","","1.269","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150099","7.32","0.008","8.396","0.006","13.236","0.014","90","","90.07","0.09","90","","813.5","1.4","150","0.2","150","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Hayes, Christopher J.; Herbert, Nicola M. A.; Harrington-Frost, Nicole M; Pattenden, Gerald","alpha,beta-Unsaturated and cyclopropyl acyl radicals, and their ketene alkyl radical equivalents. Ring synthesis and tandem cyclisation reactions.","Organic & biomolecular chemistry","2005","3","2","316","327","10.1039/b413815p","","","0.71073","MoKα","","0.0651","0.0485","","","0.112","0.127","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150100","10.245","0.002","7.16","0.0013","15.02","0.003","90","","107.943","0.004","90","","1048.2","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Broussy, Sylvain; Bernardes-Génisson, Vania; Gornitzka, Heinz; Bernadou, Jean; Meunier, Bernard","Studies on the 4-benzoylpyridine-3-carboxamide entity as a fragment model of the Isoniazid-NAD adduct.","Organic & biomolecular chemistry","2005","3","4","666","669","10.1039/b415439h","","","0.71073","MoKα","","0.0593","0.0411","","","0.0887","0.0962","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:45",""
"7150101","8.889","0.001","11.196","0.001","13.856","0.001","90","","92.09","0.01","90","","1378","0.2","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H39 N3 O6 -","- C25 H39 N3 O6 -","- C50 H78 N6 O12 -","2","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.0925","0.0601","","","0.1092","0.1232","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150102","47.011","0.001","13.325","0.001","14.106","0.001","90","","95.26","0.01","90","","8799.1","0.9","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C76 H123 N9 O20 -","- C76 H121 N9 O20 -","- C304 H484 N36 O80 -","4","1","","Dutt, Anita; Fröhlich, Roland; Pramanik, Animesh","Beta-turn mimic in tripeptide with Phe(1)-Aib(2) as corner residues and beta-strand structure in an isomeric tripeptide: an X-ray diffraction study.","Organic & biomolecular chemistry","2005","3","4","661","665","10.1039/b415455j","","","0.71073","MoKα","","0.1121","0.0665","","","0.1548","0.1804","","","","","","1.019","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150103","25.9377","0.0017","31.857","0.002","26.5255","0.0018","90","","106.746","0.002","90","","20988","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C136 H191 N2 Na7 O69 S8 -","- C132 H134 N2 Na7 O67.5 S8 -","- C528 H536 N8 Na28 O270 S32 -","4","2","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2131","0.1806","","","0.4369","0.4681","","","","","","1.979","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150104","23.135","0.002","23.135","0.002","31.904","0.003","90","","90","","90","","17076","3","150","2","150","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C104 H83 Na8 O63 S8 -","- C104 H88 Na8 O59.52 S8 -","- C416 H352 Na32 O238.08 S32 -","4","0.25","","Cooper, Alan; Nutley, Margaret; MacLean, Elizabeth J.; Cameron, Ken; Fielding, Lee; Mestres, Jordi; Palin, Ronald","Mutual induced fit in cyclodextrin-rocuronium complexes.","Organic & biomolecular chemistry","2005","3","10","1863","1871","10.1039/b415903a","","","0.6883","synchrotron","","0.2","0.1842","","","0.4216","0.4435","","","","","","1.939","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7150105","15.44","0.002","15.483","0.002","17.971","0.003","112.852","0.003","99.09","0.003","103.334","0.003","3702.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C108 H192 N4 O88 -","- C108 H160 N4 O88 -","- C108 H160 N4 O88 -","1","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1346","0.082","","","0.2006","0.2431","","","","","","1.051","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150106","15.46","0.004","32.209","0.008","15.512","0.004","90","","103.096","0.004","90","","7523","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H205 N6 O91.5 -","- C108 H156 N6 O91.5 -","- C216 H312 N12 O183 -","2","1","","Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng","Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.","Organic & biomolecular chemistry","2005","3","4","584","591","10.1039/b415946b","","","0.71073","MoKα","","0.1371","0.0972","","","0.2595","0.2859","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150107","9.6984","0.0002","16.5958","0.0003","25.445","0.0006","90","","90","","90","","4095.44","0.15","93.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C192 H224 N32 O16 -","16","2","","Nitta, Makoto; Sakakida, Tsuyoshi; Miyabara, Hideo; Yamamoto, Hiroyuki; Naya, Shin-ichi","Novel synthesis, static and dynamic properties, and structural characteristics of 5-cyano[n](2,4)pyridinophane-6-ones (n= 9-6) and their chemical transformations.","Organic & biomolecular chemistry","2005","3","4","638","644","10.1039/b416013d","","","0.7107","MoKα","","","0.056","","","","0.098","","","","","","1.184","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150108","7.4175","0.0004","8.7683","0.0005","12.4464","0.0007","90","","90.586","0.001","90","","809.46","0.08","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C20 H44 N4 O20 S4 -","4","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.0296","0.0279","","","0.0773","0.0784","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150109","7.3712","0.0005","7.4301","0.0005","9.0586","0.0006","66.362","0.001","87.942","0.001","64.538","0.001","404.73","0.05","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C10 H22 N2 O10 S2 -","2","1","","Kenworthy, Martin N.; Taylor, Richard J. K.","Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.","Organic & biomolecular chemistry","2005","3","4","603","611","10.1039/b416477f","","","0.71073","MoKα","","0.031","0.0291","","","0.0825","0.0841","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150110","17.705","0.002","21.289","0.002","19.354","0.002","90","","96.336","0.003","90","","7250.4","1.3","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 -","- C52 H40 -","- C416 H320 -","8","1","","Elliott, Eric L.; Orita, Akihiro; Hasegawa, Daiki; Gantzel, Peter; Otera, Junzo; Siegel, Jay S.","Synthesis and properties of 1,6,7,12,13,18,19,24-octamethylacenaphthyleno[b,l]tetraphenylene.","Organic & biomolecular chemistry","2005","3","4","581","583","10.1039/b416820h","","","0.71073","MoKα","","0.0693","0.0401","","","0.0997","0.108","","","","","","0.875","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150111","15.676","0.004","6.4009","0.0004","18.702","0.003","90","","112.578","0.008","90","","1732.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C48 H72 Br24 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0451","","0.1116","0.1098","","","","1.001","1.163","1.163","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150112","6.574","0.0002","31.53","0.0006","7.667","0.0004","90","","108.03","0.006","90","","1511.16","0.11","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0415","0.0396","","0.105","0.1047","","","","1.101","1.144","1.144","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150113","9.9321","0.001","13.1468","0.0005","11.9463","0.0005","90","","109.373","0.008","90","","1471.57","0.18","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0618","0.0496","","0.1349","0.132","","","","0.95","1.067","1.067","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150114","11.4559","0.0014","7.4771","0.0013","17.7504","0.0008","90","","91.342","0.007","90","","1520","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C48 H72 Br16 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71069","MoKα","","0.0566","0.0442","","0.1089","0.1075","","","","0.967","1.117","1.117","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150115","7.733","","15.842","","10.62","","90","","102.83","","90","","1268.53","","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 Br2 -","- C12 H18 Br2 -","- C48 H72 Br8 -","4","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokalpha","","","0.079","","","","0.076","","","","","","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150116","10.2529","0.0007","13.9866","0.0017","14.4984","0.0013","75.851","0.007","79.144","0.007","83.639","0.008","1975.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 Br6 N -","- C14 H21 Br6 N -","- C56 H84 Br24 N4 -","4","2","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","","0.71073","MoKα","","0.0634","0.0484","","","0.1124","0.1201","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150117","17.163","0.002","12.517","0.001","14.25","0.001","90","","90","","90","","3061.3","0.5","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C96 H144 Br32 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokα","","","0.068","","","","0.087","","","","","","","","","","has coordinates","277892","2022-09-15","16:23:53",""
"7150118","11.67","0.002","28.998","0.006","10.483","0.003","90","","90","","90","","3547.5","1.4","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C96 H144 Br48 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","MoKα","","","0.054","","","","0.072","","","","","","","","","","has coordinates","277893","2022-09-15","16:27:41",""
"7150119","10.057","0.002","13.722","0.003","15.423","0.003","72.17","0.03","80.39","0.03","86.9","0.03","1997.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9.43 N3 O -","- C12.9294 H9.42857 N2.98371 O0.994571 -","- C90.506 H66 N20.886 O6.962 -","7","3.5","","Jónsson, Stefán; Arribas, Carlos Solano; Wendt, Ola F.; Siegel, Jay S.; Wärnmark, Kenneth","Synthesis of 2-pyridone-fused 2,2'-bipyridine derivatives. An unexpectedly complex solid state structure of 3,6-dimethyl-9H-4,5,9-triazaphenanthren-10-one.","Organic & biomolecular chemistry","2005","3","6","996","1001","10.1039/b417485b","","","0.71073","MoKα","","0.2038","0.0977","","","0.283","0.3289","","","","","","1.149","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150120","15.358","0.0004","15.358","0.0004","20.1237","0.0012","90","","90","","120","","4110.6","0.3","130","2","130","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C39 H24 O3 -","- C39 H24 O3 -","- C234 H144 O18 -","6","0.5","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0966","0.0497","","","0.0773","0.0881","","","","","","0.887","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150121","20.7668","0.0018","10.7728","0.0008","25.164","0.0018","90","","104.376","0.002","90","","5453.3","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H26.5 N1.5 O -","- C38 H26.5 N1.5 O -","- C304 H212 N12 O8 -","8","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","MoKα","","0.0526","0.0481","","","0.1329","0.1369","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150122","10.0236","0.0011","10.4368","0.0011","12.1152","0.0013","109.755","0.002","103.475","0.002","90.167","0.002","1155.4","0.2","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 O3 -","- C35 H22 O3 -","- C70 H44 O6 -","2","1","","Wooi, Goh Yit; White, Jonathan M.","Structural manifestations of the cheletropic reaction.","Organic & biomolecular chemistry","2005","3","6","972","974","10.1039/b417538g","","","0.71073","","","0.0788","0.0456","","","0.0676","0.0753","","","","","","0.803","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150123","7.0435","0.0001","16.1734","0.0004","16.3288","0.0004","90","","90","","90","","1860.13","0.07","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.0431","0.0276","","0.034","0.0297","0.0297","","","","","","1.1307","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150124","18.685","0.0002","18.685","0.0002","12.2539","0.0001","90","","90","","120","","3705.03","0.06","200","","","","","","","","","","Local laboratory","3","P 31","P 31","144","","","","- C16 H26 O6 -","- C16 H26 O6 -","- C144 H234 O54 -","9","3","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.043","0.038","","0.05","0.048","0.048","","","1.281","1.292","1.292","1.292","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150125","17.357","0.008","13.487","0.005","14.83","0.006","90","","90","","90","","3472","2","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C46 H38 O6 -","- C46 H32 O6 -","- C184 H128 O24 -","4","0.5","","Tellenbröker, Jörg; Barth, Dieter; Neumann, Beate; Stammler, Hans-Georg; Kuck, Dietmar","Methoxy-substituted centrohexaindanes through the fenestrane route.","Organic & biomolecular chemistry","2005","3","4","570","571","10.1039/b417837h","","","0.71073","MoKα","","0.1294","0.0753","","","0.1787","0.2126","","","","","","1.018","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150126","12.543","0.006","7.122","0.003","12.956","0.006","90","","102.4","0.03","90","","1130.4","0.9","188","2","188","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4`-diformylphenyl ether","","","- C14 H10 O3 -","- C14 H10 O3 -","- C56 H40 O12 -","4","1","","Kuhnert, Nikolai; Burzlaff, Nicolai; Patel, Chirag; Lopez-Periago, Ana","Tuning the size of macrocyclic cavities in trianglimine macrocycles.","Organic & biomolecular chemistry","2005","3","10","1911","1921","10.1039/b417941b","","","0.71073","MoKα","","0.0744","0.0495","","","0.1211","0.1366","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150127","6.7991","0.0003","14.3737","0.0007","18.467","0.0008","90","","90","","90","","1804.75","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F4 O3 S -","- C17 H25 B F4 O3 S -","- C68 H100 B4 F16 O12 S4 -","4","1","","Aggarwal, Varinder K.; Hebach, Christina","Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications.","Organic & biomolecular chemistry","2005","3","8","1419","1427","10.1039/b418740g","","","0.71073","MoKα","","0.0319","0.0292","","","0.0745","0.0761","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150128","8.5216","0.0013","8.6643","0.0013","10.4987","0.0016","92.857","0.003","96.328","0.003","113.673","0.003","701.82","0.19","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C31 H38 O9 -","1","1","","Loeb, Stephen J.; Tramontozzi, David A.","Branched [n]rotaxanes (n = 2-4) from multiple dibenzo-24-crown-8 ether wheels and 1,2-bis(4,4'-dipyridinium)ethane axles.","Organic & biomolecular chemistry","2005","3","8","1393","1401","10.1039/b418772e","","","0.71073","MoKα","","0.1038","0.0965","","","0.2346","0.2429","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150129","5.6","0.001","24.29","0.002","7.74","0.001","90","","96.24","0.004","90","","1046.6","0.2","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4R-(1R-hydroxy-(4-nitrophenyl)-methyl)-1,3-oxazolidin-2-one","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","2","","Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra","Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones.","Organic & biomolecular chemistry","2005","3","6","967","969","10.1039/b418848a","","","1.54178","CuKα","","0.0478","0.0452","","","0.0867","0.0885","","","","","","0.909","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150130","9.891","0.005","10.066","0.005","11.732","0.005","90","","96.743","0.005","90","","1160","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","4-isopropyl-4H-3-oxo-1,9a,10-triazaanthracen-9-one","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Coogan, Michael P.; Ooi, Li-ling; Pertusati, Fabrizio","Synthesis of unsymmetrical 3,3'-biquinazoline-2,2'-diones by condensation of 3-aminoquinazolinones with benzoxazinones; fortuitous discovery, and further syntheses of 4-H-3-oxo-1,9a,10-triazaanthracen-9-ones.","Organic & biomolecular chemistry","2005","3","6","1134","1139","10.1039/b419108k","","","0.71069","MoKα","","0.0974","0.0584","","","0.141","0.1609","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150131","10.6747","0.0006","12.0073","0.0003","15.319","0.0011","101.634","0.003","99.209","0.004","90.717","0.004","1896.34","0.18","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1544","0.0775","","","0.211","0.2478","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150132","14.266","0.006","12.599","0.004","19.587","0.004","90","","100.86","0.02","90","","3457","2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C132 H180 N12 O24 -","12","3","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1816","0.0478","","","0.1214","0.1588","","","","","","0.971","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150133","10.0678","0.0016","12.211","0.003","9.0829","0.0012","97.147","0.015","92.285","0.015","109.753","0.014","1038.7","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H36 N2 O3 -","- C19 H34 N2 O3 -","- C38 H68 N4 O6 -","2","1","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.3179","0.0688","","","0.1691","0.2319","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150134","12.233","0.004","13.207","0.004","11.841","0.004","105.46","0.02","109.07","0.03","90.81","0.03","1731.8","1.1","298","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","2","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.1885","0.0605","","","0.1706","0.2267","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150135","13.2912","0.0006","13.0775","0.0005","12.1094","0.0005","90","","90","","90","","2104.8","0.15","200","","200","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C20 H35 N3 O3 -","- C20 H35 N3 O3 -","- C80 H140 N12 O12 -","4","0.5","","Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.","Organic & biomolecular chemistry","2005","3","8","1453","1459","10.1039/b419361j","","","0.71069","MoKα","","0.0445","0.0387","","","0.0906","0.0928","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7150136","10.5772","0.0004","17.2951","0.0007","9.394","0.0004","90","","109.781","0.001","90","","1617.08","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F2 N3 O3 S -","- C16 H15 F2 N3 O3 S -","- C64 H60 F8 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0542","0.0505","","","0.1276","0.1317","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150137","31.208","0.004","5.051","0.001","21.756","0.002","90","","110.08","0.01","90","","3221","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F3 N3 O2 S -","- C16 H12 F3 N3 O2 S -","- C128 H96 F24 N24 O16 S8 -","8","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0695","0.0445","","","0.1021","0.1176","","","","","","1.043","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150138","10.614","0.002","7.484","0.001","20.523","0.003","90","","96.25","0.01","90","","1620.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F2 N3 O2 S -","- C16 H13 F2 N3 O2 S -","- C64 H52 F8 N12 O8 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.064","0.0419","","","0.1017","0.1139","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150139","15.9809","0.001","9.4557","0.0006","10.5313","0.0007","90","","90.471","0.001","90","","1591.34","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0467","0.037","","","0.0928","0.0978","","","","","","0.958","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150140","8.3741","0.0005","19.8459","0.0013","10.4665","0.0007","90","","108.845","0.001","90","","1646.2","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 N3 O3 S -","- C16 H14 F3 N3 O3 S -","- C64 H56 F12 N12 O12 S4 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","0.71073","MoKα","","0.0355","0.0295","","","0.0767","0.0788","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150141","8.46","0.001","16.282","0.002","10.706","0.001","90","","107.52","0.01","90","","1406.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 F3 N2 -","- C16 H11 F3 N2 -","- C64 H44 F12 N8 -","4","1","","Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.","New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.","Organic & biomolecular chemistry","2005","3","10","1844","1849","10.1039/b500413f","","","1.54178","CuKα","","0.0818","0.0461","","","0.1104","0.1322","","","","","","0.99","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150142","5.0885","0.0003","15.5224","0.0017","16.5379","0.0016","102.839","0.008","95.947","0.006","94.025","0.007","1260.9","0.2","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C25 H37 N2 O4 S2 -","- C25 H37 N2 O4 S2 -","- C50 H74 N4 O8 S4 -","2","1","","Marsman, Albert W.; van Poecke, Bart L. A.; Jenneskens, Leonardus W.; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.","4-(Tetrahydro-4H-thiopyran-1-oxide-4-ylidene)-cyclohexanone oxime in the solid-state. A two-dimensional network of enantiomorphous chains interconnected by weak hydrogen bonds.","Organic & biomolecular chemistry","2005","3","8","1402","1409","10.1039/b500527b","","","0.71073","MoKα","","0.1689","0.101","","","0.2367","0.2801","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150143","13.383","0.0004","7.0716","0.0002","13.9236","0.0005","90","","110.93","0.0015","90","","1230.77","0.07","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C54 H68 N4 O8 -","2","1","","Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D.","Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester.","Organic & biomolecular chemistry","2005","3","8","1435","1447","10.1039/b500566c","","","0.71073","MoKα","","","0.0316","","","","0.0354","","","","","","1.0513","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150144","6.2236","0.0012","9.575","0.002","10.455","0.002","90","","92.63","0.01","90","","622.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Glytham","(4aR*,4bR*,8aS*,8bS*)-[6a-(Hydroxymethyl)hexahydro-2H,6H-1,4,5,8-tetraoxa- 6b,8c-diazadicyclopent[cd,ij]-s-indacen-2(3H)-yl]methanol","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0373","0.0338","","","0.0944","0.0967","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150145","15.63","0.0019","12.6665","0.0015","7.9832","0.001","90","","93.946","0.003","90","","1576.7","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(1R*,2R*,5S*)-1-Hydroxymethyl-4,5-diphenyl-3,6-dioxa-8-azabicyclo[3.2.1]octan- 4-ol","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio","Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.","Organic & biomolecular chemistry","2005","3","8","1489","1494","10.1039/b500580a","","","0.71073","MoKα","","0.0357","0.0328","","","0.0811","0.0845","","","","","","1.122","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150146","12.47","0.008","15.549","0.008","16.864","0.003","90","","98.63","0.04","90","","3233","3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 N3 O7 -","- C37 H41 N3 O7 -","- C148 H164 N12 O28 -","4","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.2698","0.0654","","","0.0855","0.1298","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150147","12.7722","0.0018","15.865","0.002","20.138","0.003","78.132","0.002","71.638","0.002","69.81","0.002","3613.3","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H86 Cl2 N6 O25 -","- C72 H80 Cl2 N6 O25 -","- C144 H160 Cl4 N12 O50 -","2","1","","Banthia, Sandip; Samanta, Anunay","Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.","Organic & biomolecular chemistry","2005","3","8","1428","1434","10.1039/b500912j","","","0.71073","MoKα","","0.172","0.091","","","0.2634","0.3236","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150148","6.622","0.002","8.534","0.002","39.364","0.013","90","","90","","90","","2224.5","1.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3- benzodioxole-4-carboxylate","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3-benzodioxole-4-carboxylate","","- C25 H26 O8 -","- C25 H26 O8 -","- C100 H104 O32 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.2819","0.0963","","","0.1863","0.26","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150149","5.871","0.003","9.395","0.004","16.257","0.007","87.588","0.007","86.434","0.007","81.819","0.007","885.4","0.7","150","2","150","2","","","","","","","","3","P 1","P 1","1","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1- carboxylate","Methyl(1R,2S,3R,4R,5S)-2,3,4,5-tetra(acetyloxy)cyclohexane-1-carboxylate","","- C16 H22 O10 -","- C16 H22 O10 -","- C32 H44 O20 -","2","2","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.1069","0.0671","","","0.1686","0.1891","","","","","","0.982","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150150","11.8427","0.0009","6.0131","0.0003","20.0259","0.0011","90","","90.914","0.005","90","","1425.89","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 Te -","- C17 H12 O2 Te -","- C68 H48 O8 Te4 -","4","1","","Fry, Fiona H.; Holme, Andrea L.; Giles, Niroshini M.; Giles, Gregory I.; Collins, Catriona; Holt, Kim; Pariagh, Sandra; Gelbrich, Thomas; Hursthouse, Michael B.; Gutowski, Nick J.; Jacob, Claus","Multifunctional redox catalysts as selective enhancers of oxidative stress.","Organic & biomolecular chemistry","2005","3","14","2579","2587","10.1039/b502197a","","","0.71073","MoKα","","0.0424","0.0327","","","0.0804","0.0849","","","","","","1.019","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150151","9.3004","0.0005","14.8301","0.0009","11.6244","0.0004","90","","108.528","0.003","90","","1520.2","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Br O4 -","- C16 H21 Br O4 -","- C64 H84 Br4 O16 -","4","1","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0637","0.0473","","","0.1163","0.1242","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150152","9.6393","0.0002","9.6637","0.0002","17.7208","0.0004","78.728","0.001","79.019","0.001","76.781","0.001","1557.5","0.06","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","2","","Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon","A synthesis of (+/-)-sparteine.","Organic & biomolecular chemistry","2005","3","8","1557","1567","10.1039/b502213d","","","0.71073","MoKα","","0.0419","0.0376","","","0.0875","0.0904","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150153","6.4839","0.0004","12.5501","0.001","13.7734","0.0007","90","","90","","90","","1120.79","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cl N2 O3 -","- C10 H15 Cl N2 O3 -","- C40 H60 Cl4 N8 O12 -","4","1","","Duggan, Heather M. E.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of 5/7-, 5/8- and 5/9-bicyclic lactam templates as constraints for external beta-turns.","Organic & biomolecular chemistry","2005","3","12","2287","2295","10.1039/b503014e","","x-ray","0.71073","MoKα","","0.0454","0.0364","","","0.076","0.0802","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150154","6.0476","0.0001","10.1799","0.0003","32.0263","0.0009","90","","90","","90","","1971.67","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0364","0.0325","","","0.0734","0.076","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150155","15.717","0.003","6.1884","0.0012","39.42","0.008","90","","90","","90","","3834.1","1.3","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H25 N O2 S2 -","- C20 H25 N O2 S2 -","- C160 H200 N8 O16 S16 -","8","2","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0583","0.0418","","","0.0976","0.1047","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150156","8.5638","0.0003","14.0302","0.0005","23.1201","0.0009","90","","90","","90","","2777.92","0.18","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 Cl N S -","- C13 H20 Cl N S -","- C104 H160 Cl8 N8 S8 -","8","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.085","0.0699","","","0.1926","0.2037","","","","","","1.189","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150157","24.525","0.005","8.188","0.002","26.609","0.004","90","","116.853","0.014","90","","4767.2","1.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","(8a R,14a R,14b S)-11-(Carboxyethyl)-9,9-dimethyl-5,7,8,8a,9,9a,14a,15- octa-hydro-14H-benzo[g]quinolino-[2,3-a]quinolidine","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","2","","Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang","Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.","Organic & biomolecular chemistry","2005","3","15","2848","2858","10.1039/b503281d","","","0.71073","MoKα","","0.1373","0.0806","","","0.2046","0.2376","","","","","","1.022","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150158","22.385","0.006","16.653","0.004","7.093","0.004","90","","90","","90","","2644.1","1.8","293","","293","","","","","","","","?","6","P b c n","-P 2n 2ab","60","potassium salt of bis (N- (trifluoromethylsulfonylimino))trifluoro-methanesulfonic acid","potassium salt of bis [N-(trifluoromethylsulfonylimino)]trifluoro- methanesulfonic acid","","- C3 F9 K N2 O5 S3 -","- C3 F9 K N2 O5 S3 -","- C24 F72 K8 N16 O40 S24 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1687","0.0674","","0.0831","0.0649","0.0649","","","","","","1.1658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150159","13.479","0.007","11.203","0.004","24.545","0.008","90","","90","","90","","3706","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","potassium solt of N-bis(N- (trifluoromethylsulfonylimido))trifluoromethane-sulfoximidoyl imide","potassium solt of N-bis[N-(trifluoromethylsulfonylimido)]trifluoromethane- sulfoximidoyl imide","","- C4 F12 K N3 O6 S4 -","- C4 F12 K N3 O6 S4 -","- C32 F96 K8 N24 O48 S32 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1409","0.0401","","0.0833","0.0443","0.0443","","","","","","1.1501","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150160","17.354","0.0002","9.797","0.0001","17.737","0.0002","90","","104.153","0.001","90","","2924.06","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N O2 -","- C14 H25 N O2 -","- C112 H200 N8 O16 -","8","2","","Feuillet, Fred J. P.; Cheeseman, Matt; Mahon, Mary F.; Bull, Steven D.","Stereoselective synthesis of (E)-trisubstituted alpha,beta-unsaturated amides and acids.","Organic & biomolecular chemistry","2005","3","16","2976","2989","10.1039/b503633j","","","0.71073","MoKα","","0.0818","0.0453","","","0.1035","0.1198","","","","","","1.007","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150161","11.4775","0.0005","11.1987","0.0005","24.918","0.001","90","","90","","90","","3202.8","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-Cyclopent-2-enyl-N'-(2-oxo-oxazolidine-3-carbonyl)- hydrazinecarboxylic acid 2,2,2-tricloro-ethyl ester","","- C12 H14 Cl3 N3 O5 -","- C12 H14 Cl3 N3 O5 -","- C96 H112 Cl24 N24 O40 -","8","1","","Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.","Organic & biomolecular chemistry","2005","3","12","2344","2349","10.1039/b503744a","","","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.54","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150162","12.9893","0.0012","22.218","0.002","5.2165","0.0005","90","","90","","90","","1505.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C11 H22 N6 O4 -","- C11 H20 N6 O4 -","- C44 H80 N24 O16 -","4","1","","Hysell, Michelle; Siegel, Jay S.; Tor, Yitzhak","Synthesis and stability of exocyclic triazine nucleosides.","Organic & biomolecular chemistry","2005","3","16","2946","2952","10.1039/b503757c","","","0.71073","MoKα","","0.0581","0.0526","","","0.1361","0.1396","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150163","15.095","0.001","10.338","0.006","11.718","0.005","90","","97.582","0.004","90","","1812.6","1.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O6 S -","- C16 H27 N O6 S -","- C64 H108 N4 O24 S4 -","4","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols–model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.123","0.0943","","","0.2759","0.295","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150164","6.8076","0.0009","9.3008","0.0012","12.201","0.0018","96.4","0.008","105.284","0.009","92.286","0.009","738.62","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 O5 S -","- C14 H22 O5 S -","- C28 H44 O10 S2 -","2","1","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols–model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0441","0.0368","","","0.0994","0.1012","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150165","10.927","0.008","8.372","0.006","14.62","0.01","90","","96.444","0.014","90","","1329","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 N O4 S -","- C12 H18 N O4 S -","- C48 H72 N4 O16 S4 -","4","2","","Spivey, Alan C.; Colley, Jacqueline; Sprigens, Lindsey; Hancock, Susan M.; Cameron, D. Stuart; Chigboh, Kordi I.; Veitch, Gemma; Frampton, Christopher S.; Adams, Harry","The synthesis of water soluble decalin-based thiols and S-nitrosothiols‒model systems for studying the reactions of nitric oxide with protein thiols.","Organic & biomolecular chemistry","2005","3","10","1942","1952","10.1039/b503758a","","","0.71073","MoKα","","0.0938","0.0842","","","0.2226","0.2352","","","","","","0.93","","","","has coordinates,has disorder","180287","2020-10-21","18:00:00",""
"7150166","6.9456","0.0005","8.5692","0.0005","12.8364","0.0008","95.764","0.004","92.302","0.003","113.556","0.003","694.09","0.08","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","- C24 H34 N2 O10 P2 -","1","0.5","","Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V.","A phase-switch purification approach for the expedient removal of tagged reagents and scavengers following their application in organic synthesis.","Organic & biomolecular chemistry","2005","3","17","3140","3160","10.1039/b503778f","","","0.71073","MoKα","","0.0678","0.0575","","","0.1411","0.1479","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150167","22.3809","0.0009","17.2516","0.0008","9.034","0.001","90","","90","","90","","3488.1","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0575","","","","0.2055","","","","","","1.934","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150168","8.471","0.001","11.811","0.002","16.531","0.003","90","","90","","90","","1653.9","0.5","296.2","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.1894","","","","","","1.744","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150169","9.275","0.001","13.425","0.002","7.83","0.001","106.14","0.01","114.52","0.01","71.4","0.01","828.6","0.2","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0564","","","","0.2208","","","","","","1.913","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150170","11.759","0.001","9.091","0.002","15.774","0.001","90","","103.766","0.006","90","","1637.8","0.4","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0606","","","","0.2411","","","","","","1.173","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150171","16.378","0.0003","27.7666","0.0004","30.3256","0.0005","90","","90","","90","","13790.9","0.4","120","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C123 H193.5 O35.5 -","- C124.7 H177.6 O35.6 -","- C498.8 H710.4 O142.4 -","4","1","","Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic","A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents.","Organic & biomolecular chemistry","2005","3","14","2588","2592","10.1039/b504012d","","","0.71073","MoKα","","0.1472","0.0828","","","0.2019","0.2537","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150172","5.108","0.007","5.71","0.007","14.903","0.016","79.659","0.01","81.128","0.01","89.62","0.01","422.4","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","1","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.067","0.052","","0.1329","0.1146","","","","1.109","1.165","1.165","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150173","5.448","0.006","11.674","0.012","14.81","0.014","79.936","0.01","79.89","0.01","85.346","0.01","911.8","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C34 H48 N4 O10 -","2","1","","Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh","beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.","Organic & biomolecular chemistry","2005","3","12","2250","2254","10.1039/b504112k","","","0.71073","MoKα","","0.1709","0.0931","","","0.2465","0.2686","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150174","6.565","0.004","8.698","0.005","34.72","0.02","90","","90","","90","","1983","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","1","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.6861","synchrotron","","0.0982","0.0878","","","0.216","0.222","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150175","10.816","0.002","16.904","0.003","19.35","0.004","90","","90","","90","","3537.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C144 H184 N8 O48 -","8","2","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.71073","MoKα","","0.0647","0.04","","","0.0724","0.0789","","","","","","0.921","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150176","9.408","0.009","11.05","0.01","31.83","0.03","90","","90","","90","","3309","5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Na2 O14 P -","- C24 H38 Na2 O14 P -","- C96 H152 Na8 O56 P4 -","4","1","","Babu, Ponnusamy; Chopra, D.; Row, T. N. Guru; Maitra, Uday","Micellar aggregates and hydrogels from phosphonobile salts.","Organic & biomolecular chemistry","2005","3","20","3695","3700","10.1039/b504656d","","","0.71073","MoKα","","0.0563","0.0537","","","0.1508","0.1534","","","","","","1.091","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150177","17.059","0.003","19.498","0.005","19.657","0.003","90","","90","","90","","6538","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis-tetrabutylammonium bis-dihydrogenphosphate 1-(4-nitrophenyl)-3-{2-[3-(4-nitrophenyl)ureido]-cyclohexyl}-urea acetonitrile","","- C54 H101 N9 O14 P2 -","- C54 H101 N9 O14 P2 -","- C216 H404 N36 O56 P8 -","4","1","","Amendola, Valeria; Boiocchi, Massimo; Esteban-Gómez, David; Fabbrizzi, Luigi; Monzani, Enrico","Chiral receptors for phosphate ions.","Organic & biomolecular chemistry","2005","3","14","2632","2639","10.1039/b504931h","","","0.71073","MoKα","","0.1662","0.0771","","","0.1864","0.2367","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150178","11.9376","0.0016","14.0036","0.0019","13.9101","0.0019","90","","107.916","0.002","90","","2212.6","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Acetyl-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-one","","","- C22 H20 N4 O4 S2 -","- C22 H20 N4 O4 S2 -","- C88 H80 N16 O16 S8 -","4","1","","Zahra, Jalal A.; Abu Thaher, Bassam A.; El-Abadelah, Mustafa M; Boese, Roland","3-Mercaptopropionic acid-nitrile imine adducts. An unprecedented cyclization into 1,3,4-thiadiazol-2(3H)-ones and -2(3H)-thiones.","Organic & biomolecular chemistry","2005","3","14","2599","2603","10.1039/b505010c","","","0.71073","MoKα","","0.053","0.0388","","","0.1007","0.1141","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150179","10.0175","0.0008","10.0175","0.0008","21.2378","0.0013","90","","90","","120","","1845.7","0.2","225","2","225","2","","","","","","","synthesis as described","5","P 31","P 31","144","","","","- C31 H25 Cl N2 O -","- C31 H25 Cl N2 O -","- C93 H75 Cl3 N6 O3 -","3","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst–synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","x-ray","0.71073","MoKα","","0.0761","0.0387","","","0.0805","0.0905","","","","","","0.962","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150180","12.2564","0.0003","12.2564","0.0003","13.4713","0.0006","90","","90","","90","","2023.65","0.11","100","","100","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","(R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)- C,C,C-trifluoro-methanesulfonamide","","- C12 H22 F6 N2 O4 S2 -","- C12 H22 F6 N2 O4 S2 -","- C48 H88 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst–synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.044","","","","0.093","","","","","","0.904","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150181","20.6214","0.0006","10.7987","0.0007","9.401","0.003","90","","95.972","0.003","90","","2082.1","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R,R) N-(1,2-Dicyclohexyl-2-trifluoromethanesulfonylamino-ethyl9- C,C,C-trifluoro-methanesulfonamide","","- C16 H26 F6 N2 O4 S2 -","- C16 H26 F6 N2 O4 S2 -","- C64 H104 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst–synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.143","","","","0.169","","","","","","1.166","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150182","14.3841","0.0002","14.3841","0.0002","13.98","0.0004","90","","90","","120","","2504.97","0.09","100","","100","","","","","","","","","6","P 32 2 1","P 32 2""","154","","(S,S) C,C,C-Trifluoro-N-(2-trifluoromethanesulfonylamino-cyclohexyl) -methanesulfonamide","","- C9.8 H12 F6 N2 O4 S2 -","- C9.59 H12 F6 N2 O4 S2 -","- C57.54 H72 F36 N12 O24 S12 -","6","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.034","","","","0.036","","","","","","1.027","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150183","11.6353","0.001","11.6353","0.001","52.806","0.009","90","","90","","120","","6191.1","1.3","100","","100","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","(R,R) N-(1,2-Diphenyl-2-trifluoromethanesulfonylamino-ethyl)- C,C,C-trifluoro-methanesulfonamide","","- C16 H14 F6 N2 O4 S2 -","- C16 H14 F6 N2 O4 S2 -","- C192 H168 F72 N24 O48 S24 -","12","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst–synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.064","","","","0.081","","","","","","1.7","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150184","11.503","0.008","15.7","0.02","18.53","0.01","90","","92.82","0.03","90","","3342","5","100.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 F6 N2 Ni O8 S2 -","- C30 H32 F6 N2 Ni O8 S2 -","- C120 H128 F24 N8 Ni4 O32 S8 -","4","1","","Fossey, John S.; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū","A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.","Organic & biomolecular chemistry","2005","3","16","2910","2913","10.1039/b505404d","","","0.7107","MoKα","","","0.024","","","","0.03","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150185","10.055","0.002","13.297","0.002","15.802","0.003","75.124","0.001","74.149","0.002","69.449","0.001","1872.5","0.6","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 Br2 O4 -","- C40 H44 Br2 O4 -","- C80 H88 Br4 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.0736","","","","0.0701","","","","","","1.0267","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150186","24.088","0.001","12.665","0.001","17.274","0.001","90","","126.477","0.001","90","","4237.5","0.5","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 O2 -","- C26 H28 O2 -","- C208 H224 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0493","","","","0.0183","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150187","14.921","0.001","18.436","0.002","19.88","0.003","90","","108.21","0.01","90","","5194.8","1.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 O4 -","- C64 H64 O4 -","- C256 H256 O16 -","4","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","1.5418","CuKα","","","0.1015","","","","0.0829","","","","","","1.0786","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150188","23.851","0.0003","12.333","0.0003","13.074","0.0004","90","","90","","90","","3845.77","0.16","200","","200","","","","","","","","?","4","P n m a","-P 2ac 2n","62","","","","- C20 H22 Br2 O2 -","- C20 H22 Br2 O2 -","- C160 H176 Br16 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0321","","","","0.0242","","","","","","1.0311","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150189","13.9231","0.0001","35.1563","0.0002","25.7578","0.0002","90","","94.5875","0.0003","90","","12567.7","0.15","150","","150","","","","","","","","?","3","P 1 21/c 1","-P 2ybc","14","","","","- C144 H192 O12 -","- C48 H64 O4 -","- C576 H768 O48 -","12","3","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0765","","","","0.08","","","","","","1.0633","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150190","25.714","0.0004","8.002","0.0001","19.113","0.0004","90","","121.009","0.0009","90","","3370.71","0.1","150","","150","","","","","","","","?","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0545","","","","0.0671","","","","","","1.0196","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150191","10.3974","0.0002","13.0709","0.0003","19.4131","0.0003","107.941","0.001","93.567","0.001","97.093","0.001","2476.72","0.09","150","","293","","","","","","","","?","3","P -1","-P 1","2","","","","- C56 H80 O4 -","- C56 H80 O4 -","- C112 H160 O8 -","2","1","","Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana","Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.","Organic & biomolecular chemistry","2005","3","14","2572","2578","10.1039/b505454k","","","0.71073","MoKα","","","0.0537","","","","0.0594","","","","","","1.0599","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150192","7.707","0.0015","17.374","0.004","16.622","0.003","90","","92.17","0.03","90","","2224.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)- dithione monohydrate","1,4,7,10,13,16-hexaoxacyclooctadecane pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C16 H30 N2 O7 S2 -","- C16 H30 N2 O7 S2 -","- C64 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.0667","0.0452","","","0.1237","0.132","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150193","11.624","0.002","12.698","0.003","12.093","0.002","90","","109.69","0.03","90","","1680.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)- dithione) clathrate","cis-anti-cis (B) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) bis(pyrimidine-2,4(1H,3H)-dithione) clathrate","","- C28 H44 N4 O6 S4 -","- C28 H44 N4 O6 S4 -","- C56 H88 N8 O12 S8 -","2","0.5","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1279","0.0536","","","0.1129","0.1316","","","","","","0.853","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150194","7.988","0.0016","21.627","0.004","16.439","0.003","90","","93.17","0.03","90","","2835.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano- 1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","cis-syn-cis (A) isomer (2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane) pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C24 H42 N2 O7 S2 -","- C24 H42 N2 O7 S2 -","- C96 H168 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.2645","0.0556","","","0.0668","0.0929","","","","","","0.709","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150195","7.973","0.0016","16.918","0.003","17.566","0.004","90","","90","","90","","2369.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C20 H30 N2 O7 S2 -","- C20 H30 N2 O7 S2 -","- C80 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1051","0.0446","","","0.0805","0.0922","","","","","","0.881","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150196","6.936","0.002","16.389","0.003","9.833","0.003","90","","92.78","0.03","90","","1116.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","imine","8(R),13(R),23(S),28(S)-7,14,22,29,31,32-hexaazapentacyclo [25.3.1.1^16,20^.0^8,13^.0^23,28^]-dotriconta- 1(31),2,4,6,14,16(32),17,19,21,29-decaene","","- C26 H30 N6 -","- C26 H30 N6 -","- C52 H60 N12 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","0.71073","MoKα","","0.11","0.063","","","0.1471","0.1656","","","","","","1.123","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150197","15.577","0.004","30.563","0.009","5.46","0.003","90","","90","","90","","2599.4","1.8","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","imine","8(R),13(R),23(S),28(S),38(R),43(R),53(S),58(S)- 7,14,22,29,37,44,52,59,61,62,63,64-dodecaazananocyclo [55.3.1.1^16,20^.1^31,35^.1^46,50^.0^8,13^.0^23,28^.0^38,43^.0^53,58^] -tetrahexaconta- 1(61),2,4,6,14,16(62),17,19,21,29,31(63),32,34,44,46(64),47,49,51,59 -eicosaene","","- C52 H60 N12 -","- C52 H60 N12 -","- C104 H120 N24 -","2","0.5","","Gregoliński, Janusz; Lisowski, Jerzy; Lis, Tadeusz","New 2+2, 3+3 and 4+4 macrocycles derived from 1,2-diaminocyclohexane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2005","3","17","3161","3166","10.1039/b505909g","","","1.5418","CuKα","","0.1073","0.0655","","","0.1495","0.1754","","","","","","0.903","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150198","14.526","0.0009","7.068","0.0005","13.3397","0.0009","90","","91.506","0.001","90","","1369.11","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F2 N O4 -","- C13 H19 F2 N O4 -","- C52 H76 F8 N4 O16 -","4","1","","Griffith, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.; Spencer, Neil; Uneyama, Emi","Towards novel difluorinated sugar mimetics; syntheses and conformational analyses of highly-functionalised difluorinated cyclooctenones.","Organic & biomolecular chemistry","2005","3","15","2701","2712","10.1039/b505978j","","","0.71073","MoKα","","0.0342","0.0323","","","0.0806","0.0818","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150199","9.7709","0.0004","12.8905","0.0005","13.2494","0.0006","70.822","0.002","68.573","0.0018","76.36","0.002","1454.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","N-Phenyl-8-methoxy-1-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.1308","0.0641","","","0.1522","0.1759","","","","","","0.909","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150200","9.377","0.0002","9.7055","0.0002","16.7953","0.0003","90","","91.3607","0.0012","90","","1528.08","0.05","293","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-(Dimethylamino)-N-phenyl-1-naphthamide","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0449","","","0.1189","0.1259","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150201","9.8308","0.0002","9.664","0.0003","12.0688","0.0003","85.4547","0.0015","68.6506","0.0014","78.8152","0.0015","1047.58","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","N-(8-Dimethylamino-1-naphthoyl)-N,N-diphenylurea","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C52 H46 N6 O4 -","2","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0741","0.0511","","","0.1239","0.1357","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150202","15.87","0.0003","5.4817","0.0001","28.7715","0.0008","90","","101.03","0.0008","90","","2456.73","0.09","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(8-Dimethylaminonaphth-1-yl)-2-nitroethene","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0739","0.0482","","","0.117","0.1271","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150203","10.3347","0.0003","7.0992","0.0002","18.2556","0.0005","90","","102.897","0.002","90","","1305.59","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(8-Dimethylaminonaphth-1-yl)-2-nitropropene","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0567","0.0497","","","0.1579","0.1664","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150204","7.7283","0.0002","13.6696","0.0004","15.7465","0.0006","90","","95.5779","0.0012","90","","1655.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-Dimethylbenzo(cd)indolium-2-benzoylnitromethide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","O'Leary, Jane; Formosa, Xavier; Skranc, Wolfgang; Wallis, John D.","Structural studies of peri-interactions and bond formation between electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl groups.","Organic & biomolecular chemistry","2005","3","18","3273","3283","10.1039/b506045a","","","0.71073","MoKα","","0.0681","0.0471","","","0.1159","0.1248","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150205","16.1362","0.0014","17.4816","0.0016","30.711","0.003","77.635","0.002","75.632","0.002","65.267","0.002","7562.2","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C172.23 H106 Cl3.11 F12 N6 O15 P2 Ru -","- C172.355 H106 Cl3.058 F12 N6 O15 P2 Ru -","- C344.71 H212 Cl6.116 F24 N12 O30 P4 Ru2 -","2","1","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1317","0.098","","","0.2824","0.3071","","","","","","1.088","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150206","23.3906","0.0005","11.4829","0.0002","23.2945","0.0006","90","","90","","90","","6256.7","0.2","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 Fe N6 O5 P2 -","- C66 H62 F12 Fe N6 O5 P2 -","- C264 H248 F48 Fe4 N24 O20 P8 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.1491","0.0751","","","0.1913","0.2337","","","","","","1.021","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150207","23.1733","0.0003","11.9603","0.0001","22.8083","0.0003","90","","90","","90","","6321.54","0.13","160","1","160","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C66 H64 F12 N6 O5 P2 Ru -","- C66 H62 F12 N6 O5 P2 Ru -","- C264 H248 F48 N24 O20 P8 Ru4 -","4","0.5","","Loren, Jon C.; Gantzel, Peter; Linden, Anthony; Siegel, Jay S.","Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline.","Organic & biomolecular chemistry","2005","3","17","3105","3116","10.1039/b506101f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1664","0.1893","","","","","","1.044","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150208","10.8116","0.0001","11.8065","0.0001","40.9023","0.0004","90","","91.049","0.0004","90","","5220.19","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Fe N2 O4 -","- C20 H28 Fe N2 O4 -","- C200 H280 Fe10 N20 O40 -","10","2.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0767","0.0476","","","0.1013","0.1136","","","","","","1.022","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150209","15.479","0.0003","9.342","0.0003","11.04","0.0003","90","","117.071","0.002","90","","1421.54","0.07","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0432","0.0346","","","0.0717","0.0753","","","","","","1.069","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150210","15.49","0.003","9.339","0.0019","11.036","0.002","90","","117.09","0.03","90","","1421.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H38 Fe N4 O6 -","- C26 H38 Fe N4 O6 -","- C52 H76 Fe2 N8 O12 -","2","0.5","","Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.","Organic & biomolecular chemistry","2005","3","16","3018","3023","10.1039/b506178d","","","0.71073","MoKα","","0.0488","0.0393","","","0.0755","0.081","","","","","","1.058","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150211","14.5548","0.0002","7.2083","0.0001","17.2662","0.0004","90","","103.938","0.001","90","","1758.15","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.067","0.0432","","","0.1058","0.1167","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150212","21.854","0.012","10.992","0.005","7.77","0.01","90","","90.01","0.07","90","","1867","3","160","2","160","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.","Organic & biomolecular chemistry","2005","3","15","2832","2841","10.1039/b506295k","","","0.71073","MoKα","","0.1357","0.066","","","0.1564","0.1887","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150213","8.6059","0.0001","11.6484","0.0001","25.9199","0.0003","90","","90","","90","","2598.34","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C120 H140 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0417","0.0322","","0.047","0.0381","0.0381","","","","","","1.1199","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150214","9.4415","0.0001","15.0875","0.0002","18.297","0.0003","90","","90","","90","","2606.38","0.06","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0444","0.0379","","0.0501","0.0442","0.0442","","","","","","1.1113","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150215","10.0421","0.0002","9.1315","0.0002","25.1731","0.0008","90","","95.1151","0.0009","90","","2299.17","0.1","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C112 H124 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","","0.0873","","","","0.0784","","","","","","1.0124","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150216","10.54","0.02","25.92","0.02","16.25","0.01","90","","100.15","0.02","90","","4370","9","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 O4 -","- C58 H48 O4 -","- C232 H192 O16 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0437","","","","0.1093","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150217","11.977","0.003","24.465","0.006","12.25","0.004","90","0.002","110.328","0.002","90","0.002","3365.9","1.6","293.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 O2 -","- C48 H30 O2 -","- C192 H120 O8 -","4","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.062","","","","0.164","","","","","","0.888","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150218","18.425","0.007","34.5","0.01","10.674","0.004","90","0.002","115.457","0.003","90","0.002","6126","4","293.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H42 Cl12 O4 Sb2 -","- C52 H42 Cl12 O4 Sb2 -","- C208 H168 Cl48 O16 Sb8 -","4","0.5","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0542","","","","0.1598","","","","","","0.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150219","11.219","0.004","12.48","0.005","16.557","0.007","86.02","0.01","89.83","0.01","64.63","0.01","2088.7","1.4","293.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H32 Cl6 O3 -","- C50 H32 Cl6 O3 -","- C100 H64 Cl12 O6 -","2","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.0676","","","","0.1756","","","","","","1.357","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150220","57.17","0.01","35.88","0.009","10.483","0.003","90","","90","","90","","21503","9","153.1","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C49.5 H30 Cl15 O2 Sb2 -","- C49.5 H30 Cl15 O2 Sb2 -","- C792 H480 Cl240 O32 Sb32 -","16","1","","Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Suzuki, Takanori","Butane-1,4-diyl dications stabilized by steric factors: electrochiroptical response systems based on reversible interconversion between dihydro[5]helicene-type electron acceptors and electron-donating 1,1'-binaphthyls.","Organic & biomolecular chemistry","2005","3","16","3024","3031","10.1039/b506435j","","","0.7107","MoKα","","","0.056","","","","0.2134","","","","","","0.451","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150221","14.9686","0.0005","17.0315","0.0008","24.6488","0.0011","102.373","0.005","91.482","0.005","107.245","0.005","5835.1","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H138 N8 O17 -","- C120 H138 N8 O17 -","- C240 H276 N16 O34 -","2","1","","Ghosh, Pradyut; Federwisch, Guido; Kogej, Michael; Schalley, Christoph A.; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Gschwind, Ruth M.","Controlling the rate of shuttling motions in [2]rotaxanes by electrostatic interactions: a cation as solvent-tunable brake.","Organic & biomolecular chemistry","2005","3","15","2691","2700","10.1039/b506756a","","","0.71073","MoKα","","0.2041","0.1215","","","0.3191","0.3678","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150222","10.805","0.002","10.863","0.002","19.502","0.004","90","","90","","90","","2289","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N3 -","- C12 H19 N3 -","- C96 H152 N24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1854","0.128","","","0.1902","0.2049","","","","","","1.259","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150223","10.0306","0.0011","13.513","0.0013","14.3379","0.0015","108.817","0.005","104.119","0.015","103.132","0.006","1682","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Revised CIF","","","- C33.33 H37.33 Cl N3 O6 S3 -","- C33.33 H37 Cl0.99 N3 O6 S3 -","- C66.66 H74 Cl1.98 N6 O12 S6 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1009","0.0619","","","0.1396","0.1598","","","","","","1.033","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150224","8.7647","0.0004","11.2725","0.0006","12.7812","0.0008","82.1469","0.0024","71.7511","0.0023","69.0389","0.0032","1119.48","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Cl3 N3 O13 -","- C14 H28 Cl3 N3 O13 -","- C28 H56 Cl6 N6 O26 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0841","0.0662","","","0.1489","0.1571","","","","","","1.114","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150225","16.6393","0.0008","12.0999","0.0007","18.0854","0.0011","90","","115.568","0.0028","90","","3284.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 N3 O6 S3 -","- C35 H41 N3 O6 S3 -","- C140 H164 N12 O24 S12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1006","0.0549","","","0.1075","0.1234","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150226","11.0558","0.0005","11.6209","0.0005","15.1984","0.0007","90","","107.842","0.0026","90","","1858.75","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Br3 N3 -","- C14 H26 Br3 N3 -","- C56 H104 Br12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0811","0.0555","","","0.1253","0.1371","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150227","9.5996","0.0003","10.1003","0.0004","17.1572","0.0006","90","","93.8496","0.002","90","","1659.79","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl3 N3 -","- C14 H26 Cl3 N3 -","- C56 H104 Cl12 N12 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.043","0.0313","","","0.0645","0.0681","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150228","5.4382","0.0003","16.5549","0.0009","19.6525","0.0013","90","","91.581","0.002","90","","1768.62","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F5 N3 O -","- C14 H29 F5 N3 O -","- C56 H116 F20 N12 O4 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2775","0.0713","","","0.1104","0.1605","","","","","","0.886","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150229","12.5482","0.0008","14.9721","0.0011","17.298","0.0014","90","","91.7346","0.0029","90","","3248.3","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N4 -","- C16 H28 N4 -","- C128 H224 N32 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1595","0.0572","","","0.1109","0.1485","","","","","","0.957","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150230","14.893","0.0004","18.055","0.0006","10.0567","0.0009","90","","90","","90","","2704.2","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H34 Br Cl3 N4 O13 -","- C16 H32 Br Cl3 N4 O13 -","- C64 H128 Br4 Cl12 N16 O52 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1153","0.0922","","","0.1944","0.2047","","","","","","1.137","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150231","11.8732","0.0012","13.1219","0.001","15.1537","0.0011","88.4512","0.0067","86.6823","0.0059","68.4241","0.0061","2191.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 N4 O8 S4 -","- C44 H52 N4 O8 S4 -","- C88 H104 N8 O16 S8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1759","0.0988","","","0.1352","0.1583","","","","","","1.107","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150232","21.1345","0.0008","11.3695","0.0005","19.3298","0.0007","90","","111.385","0.004","90","","4324.9","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L3-HF","","","- C16 H39 F5 N4 O3 -","- C16 H38.79 F4.79 N4 O3 -","- C128 H310.32 F38.32 N32 O24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1535","0.0523","","","0.084","0.1087","","","","","","0.929","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150233","9.4815","0.0008","11.0386","0.001","11.4504","0.001","88.5738","0.0023","68.2659","0.0019","86.0713","0.0022","1110.62","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Br4 N4 -","- C16 H32 Br4 N4 -","- C32 H64 Br8 N8 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.235","0.1621","","","0.2677","0.3011","","","","","","1.166","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150234","29.725","0.003","6.348","0.0007","22.054","0.003","90","","93.999","0.004","90","","4151.3","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Revised CIF","","","- C14 H30 Cl4 N4 O1.5 -","- C14 H30 Cl4 N4 O1.5 -","- C112 H240 Cl32 N32 O12 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1095","0.0457","","","0.0864","0.1099","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150235","10.0881","0.001","30.6387","0.0009","15.8038","0.001","90","","94.292","0.003","90","","4871","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 N4 O8 S4 -","- C44 H50 Cl3.98 N4 O8 S4 -","- C176 H200 Cl15.92 N16 O32 S16 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0982","0.0526","","","0.111","0.1294","","","","","","1.022","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150236","33.7945","0.0018","11.5702","0.0008","15.8028","0.0009","90","","103.859","0.005","90","","5999.1","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 I7 N5 -","- C16 H34 I7 N5 -","- C128 H272 I56 N40 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.133","0.0555","","","0.1082","0.1306","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150237","8.4897","0.0009","11.1914","0.0011","14.9026","0.001","82.7077","0.0064","81.8566","0.0054","69.501","0.0058","1308.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H38 Br5 N5 O2 -","- C16 H34 Br5 N5 O2 -","- C32 H68 Br10 N10 O4 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0987","0.0707","","","0.1473","0.1597","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150238","10.5378","0.0008","11.8423","0.0006","20.8415","0.0012","81.0248","0.0041","78.1161","0.0036","87.7689","0.0035","2513.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","CIF","","","- C16 H39 Cl5 N5 O2.5 -","- C16 H36 Cl5 N5 O2.5 -","- C64 H144 Cl20 N20 O10 -","4","2","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1771","0.1078","","","0.1783","0.2058","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150239","9.862","0.002","10.525","0.002","12.113","0.002","97.654","0.002","100.99","0.002","103.968","0.003","1176.4","0.4","120","2","173","2","","","","","","","","5","P -1","-P 1","2","2,5,8,11,14-pentazaz(15)metacyclophane pentahydrochloride monohydrate","2,5,8,11,14-pentazaz[15]metacyclophane pentahydrochloride monohydrate","","- C16 H38 Cl5 N5 O -","- C16 H32 Cl5 N5 O -","- C32 H64 Cl10 N10 O2 -","2","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.0655","0.0434","","","0.093","0.1029","","","","","","1.048","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150240","13.925","0.002","16.012","0.002","22.88","0.002","90","","98.651","0.008","90","","5043.4","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","l5-tS5","","","- C51 H59 N5 O10 S5 -","- C51 H59 N5 O10 S5 -","- C204 H236 N20 O40 S20 -","4","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.2499","0.187","","","0.294","0.3184","","","","","","1.319","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150241","9.319","0.002","12.579","0.003","27.029","0.007","90","","90","","90","","3168.4","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C120 H168 F16 N8 O40 -","8","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0395","0.0338","","","0.082","0.0849","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150242","10.4325","0.0007","11.7993","0.0008","14.7171","0.001","90","","92.051","0.001","90","","1810.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F2 N O5 S -","- C18 H19 F2 N O5 S -","- C72 H76 F8 N4 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0443","0.0386","","","0.1049","0.1079","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150243","9.9999","0.0005","8.3226","0.0004","19.8738","0.001","90","","94.609","0.001","90","","1648.65","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F2 O6 S -","- C17 H16 F2 O6 S -","- C68 H64 F8 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0336","0.0309","","","0.0796","0.0816","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150244","8.806","0.002","22.25","0.006","11.795","0.003","90","","98.871","0.004","90","","2283.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 F2 N O6 S -","- C21 H27 F2 N O6 S -","- C84 H108 F8 N4 O24 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0485","0.0406","","","0.1051","0.1097","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150245","17.875","0.003","6.5609","0.0012","15.029","0.003","90","","93.158","0.003","90","","1759.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 F2 O5 S -","- C18 H20 F2 O5 S -","- C72 H80 F8 O20 S4 -","4","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0929","0.0611","","","0.1416","0.1545","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150246","10.5327","0.0018","11.552","0.002","16.158","0.003","75.465","0.003","71.827","0.003","68.79","0.003","1720.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 F2 O4 -","- C18 H22 F2 O4 -","- C72 H88 F8 O16 -","4","2","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0459","0.0381","","","0.0923","0.0968","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150247","14.113","0.001","12.461","0.001","8.528","0.001","90","","90","","90","","1499.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Adler, Thomas; Bonjoch, Josep; Clayden, Jonathan; Font-Bardía, Mercè; Pickworth, Mark; Solans, Xavier; Solé, Daniel; Vallverdú, Lluís","Slow interconversion of enantiomeric conformers or atropisomers of anilide and urea derivatives of 2-substituted anilines.","Organic & biomolecular chemistry","2005","3","17","3173","3183","10.1039/b507202f","","","0.71069","MoKα","","0.0471","0.0389","","","0.0889","0.0945","","","","","","1.12","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150248","9.7073","0.0014","10.569","0.0014","10.9986","0.0015","92.126","0.011","109.791","0.01","101.734","0.011","1032.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0674","0.0434","","","0.1031","0.1098","","","","","","0.972","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150249","11.4637","0.0008","18.3534","0.0012","19.8397","0.0014","74.256","0.005","85.809","0.006","83.824","0.005","3990.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Cl N4 O8.5 -","- C41 H43 Cl N4 O8.5 -","- C164 H172 Cl4 N16 O34 -","4","2","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0916","0.0753","","","0.2126","0.226","","","","","","1.01","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150250","10.3157","0.0011","12.4728","0.0012","17.753","0.002","99.611","0.008","103.81","0.008","99.245","0.008","2138.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 O8 -","- C46 H48 N4 O8 -","- C92 H96 N8 O16 -","2","1","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.0964","0.0661","","","0.1962","0.2161","","","","","","0.971","","","","has coordinates,has disorder","180288","2020-10-21","18:00:00",""
"7150251","10.4041","0.0019","10.6679","0.0019","11.557","0.002","105.672","0.014","91.147","0.015","108.061","0.014","1166.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","- C54 H66 N2 O4 -","1","0.5","","Danila, Crenguta; Böhmer, Volker; Bolte, Michael","Conformational properties of cyanomethoxy calix[4]arenes.","Organic & biomolecular chemistry","2005","3","19","3508","3513","10.1039/b507780j","","","0.71073","MoKα","","0.1132","0.0983","","","0.316","0.3313","","","","","","1.222","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150252","7.6807","0.0001","13.2365","0.0001","24.25","0.0003","90","","93.2","0.001","90","","2461.55","0.05","100","","100","","","","","","","","solvent","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 -","- C32 H34 -","- C128 H136 -","4","1","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","1.54178","CuKα","","0.0431","0.0424","","","0.1072","0.1078","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150253","26.1849","0.0006","15.839","0.0004","10.076","0.0002","90","","103.728","0.001","90","","4059.57","0.16","100","","100","","","","","","","","deuterated THF","2","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 -","- C52 H58 -","- C208 H232 -","4","0.5","","Nehls, Benjamin S.; Galbrecht, Frank; Bilge, Askin; Brauer, David J.; Lehmann, Christian W.; Scherf, Ullrich; Farrell, Tony","Synthesis and spectroscopy of an oligophenyl based cruciform with remarkable pi-pi assisted folding.","Organic & biomolecular chemistry","2005","3","17","3213","3219","10.1039/b508125d","","","0.71073","MoKα","","0.0946","0.0636","","","0.1381","0.1529","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150254","8.7805","0.0017","9.1484","0.0019","13.906","0.003","79.21","0.017","87.892","0.017","84.473","0.016","1092","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","6,8-Dichloro-7-methyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-methyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C5 H3 Cl2 N S5 -","- C5 H3 Cl2 N S5 -","- C20 H12 Cl8 N4 S20 -","4","2","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0673","0.0384","","","0.0968","0.1022","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150255","8.7306","0.0012","9.4354","0.0013","16.064","0.002","90","","93.761","0.003","90","","1320.4","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6,8-Dichloro-7-t-butyl-7H-(1,2,3,4,5)pentathiepino(6,7- c)pyrrole","6,8-Dichloro-7-t-butyl-7H-[1,2,3,4,5]pentathiepino[6,7-c]pyrrole","","- C8 H9 Cl2 N S5 -","- C8 H9 Cl2 N S5 -","- C32 H36 Cl8 N4 S20 -","4","1","","Amelichev, Stanislav A.; Konstantinova, Lidia S.; Lyssenko, Konstantin A.; Rakitin, Oleg A.; Rees, Charles W.","Direct synthesis of fused 1,2,3,4,5-pentathiepins.","Organic & biomolecular chemistry","2005","3","19","3496","3501","10.1039/b508186f","","","0.71073","MoKα","","0.0416","0.0362","","","0.0841","0.0876","","","","","","0.978","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150256","7.569","0.004","18.652","0.002","8.388","0.002","90","","103.69","0.03","90","","1150.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0555","0.0358","","","0.0944","0.0996","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150257","19.225","0.008","10.95","0.004","6.047","0.009","90","","90","","90","","1273","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Pesquet, Anthony; Daïch, Adam; Decroix, Bernard; Van Hijfte, Luc","Acid-catalysed formation of tricyclic N,S-acetals in imidazolinone series based on the use of the unprecedented N-acyliminium ion cascade reaction involving transposition, heterocyclisation and pi-cyclisation.","Organic & biomolecular chemistry","2005","3","21","3937","3947","10.1039/b508214e","","","0.71069","MoKα","","0.0614","0.0483","","","0.1457","0.154","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150260","7.6162","0.0005","9.1924","0.0005","10.6592","0.0006","107.647","0.001","97.265","0.001","110.172","0.001","644.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N O5 S -","- C12 H11 N O5 S -","- C24 H22 N2 O10 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0417","0.0379","","","0.1069","0.1104","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150261","8.0512","0.0014","8.7739","0.0016","11.745","0.002","91.894","0.003","105.771","0.003","90.555","0.003","797.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl N O7 S -","- C13 H14 Cl N O7 S -","- C26 H28 Cl2 N2 O14 S2 -","2","1","","Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij","Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.","Organic & biomolecular chemistry","2005","3","22","4108","4116","10.1039/b508317f","","","0.71073","MoKα","","0.0639","0.0425","","","0.1046","0.1219","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150262","14.153","0.001","14.153","","25.881","0.002","90","","90","","120","","4489.6","0.5","296.2","","296.2","","","","","","","","","5","P 61","P 61","169","","","","- C27 H33 Cl O9 Si -","- C27 H32 Cl O9 Si -","- C162 H192 Cl6 O54 Si6 -","6","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0907","","","0.0954","","","","","2.499","2.499","","","","","has coordinates","209484","2020-10-21","18:00:00",""
"7150263","14.792","0.002","28.3","0.004","8.5666","0.0009","90","","90","","90","","3586.1","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O10 Si -","- C35 H44 O10 Si -","- C140 H176 O40 Si4 -","4","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0484","","","0.0602","","","","","2.173","2.173","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150264","7.6072","0.0017","24.695","0.004","11.851","0.003","90","","108.06","0.03","90","","2116.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Anilino-6-(N-tert-butyloxycarbonylmethylanilino)-3-nitropyridine","","- C23 H24 N4 O4 -","- C23 H24 N4 O4 -","- C92 H96 N16 O16 -","4","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0595","0.037","","","0.08","0.0849","","","","","","0.996","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150265","10.113","0.002","12.417","0.003","14.105","0.003","107.48","0.03","95.21","0.03","102.18","0.03","1628.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Anilino-2-(N-methylanilino)-3-nitropyridine","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","2","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0774","0.0415","","","0.087","0.0966","","","","","","0.985","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150266","8.5952","0.0016","9.79","0.002","13.308","0.002","72.57","0.02","83.91","0.02","75.36","0.02","1033.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Anilino-6-(N-tert-bytyloxycarbonylanilino)-3-nitropyridine","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","","Schmid, Sylvia; Röttgen, Martin; Thewalt, Ulf; Austel, Volkhard","Synthesis and conformational properties of 2,6-bis-anilino-3-nitropyridines.","Organic & biomolecular chemistry","2005","3","18","3408","3421","10.1039/b508819b","","","0.71073","MoKα","","0.0588","0.0401","","","0.1023","0.109","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150267","9.1402","0.0017","12.351","0.002","15.852","0.003","90","","97.942","0.003","90","","1772.4","0.6","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N2 O3 Pd S -","- C15 H17 F3 N2 O3 Pd S -","- C60 H68 F12 N8 O12 Pd4 S4 -","4","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.046","0.03","","","0.0601","0.0649","","","","","","1.041","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150268","9.5463","0.0018","16.258","0.004","18.117","0.004","90","","90","","90","","2811.8","1.1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 Pd -","- C14 H17 Cl N2 Pd -","- C112 H136 Cl8 N16 Pd8 -","8","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.0577","0.0329","","","0.0595","0.0641","","","","","","0.928","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150269","29.189","0.0014","4.9244","0.0003","19.8157","0.0011","90","","123.921","0.002","90","","2363.5","0.2","150","","150","","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C96 H112 O40 -","8","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0782","0.0483","","0.0712","0.0599","0.0599","","","","","","1.0723","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150270","19.4765","0.0003","9.6966","0.0002","21.0587","0.0004","90","","94.5151","0.0008","90","","3964.72","0.13","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 O2 -","- C23 H32 O2 -","- C184 H256 O16 -","8","2","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0853","0.0432","","0.0695","0.0524","0.0524","","","","","","1.1038","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150271","8.8435","0.0003","13.404","0.0005","10.6982","0.0003","90","","105.571","0.0018","90","","1221.6","0.07","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","alboatrin","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Rodriguez, Raphaël; Moses, John E.; Adlington, Robert M.; Baldwin, Jack E.","A new and efficient method for o-quinone methide intermediate generation: application to the biomimetic synthesis of the benzopyran derived natural products (+/-)-lucidene and (+/-)-alboatrin.","Organic & biomolecular chemistry","2005","3","19","3488","3495","10.1039/b508972g","","","0.71073","MoKα","","0.0569","0.0378","","0.0544","0.0498","0.0498","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150272","16.999","0.005","11.735","0.008","17.495","0.01","90","","112.405","0.017","90","","3227","3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 O8 -","- C36 H44 O8 -","- C144 H176 O32 -","4","1","","Larsen, Lesley; Benn, Michael H.; Parvez, Masood; Perry, Nigel B.","A cytotoxic triketone-phloroglucinol-bullatenone hybrid from Lophomyrtus bullata.","Organic & biomolecular chemistry","2005","3","17","3236","3241","10.1039/b509076h","","","0.71073","MoKα","","0.122","0.061","","","0.145","0.177","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150273","25.41","0.03","5.071","0.007","15.318","0.017","90","","106.77","0.01","90","","1890","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H54 N4 O10 S2 -","- C30 H54 N4 O10 S2 -","- C60 H108 N8 O20 S4 -","2","0.5","","Das, Apurba Kumar; Drew, Michael G. B.; Haldar, Debasish; Banerjee, Arindam","The role of the disulfide bond in amyloid-like fibrillogenesis in a model peptide system.","Organic & biomolecular chemistry","2005","3","19","3502","3507","10.1039/b509083k","","","0.71073","MoKα","","0.0927","0.0807","","","0.1717","0.1785","","","","","","1.176","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150274","9.934","0.004","5.408","0.002","22.042","0.001","90","","96.59","0.01","90","","1176.3","0.6","293","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","idoazeridine","idoazeridine","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C52 H62 N2 O12 -","2","1","","Dhavale, Dilip D.; Kumar, K. S. Ajish; Chaudhari, Vinod D.; Sharma, Tarun; Sabharwal, Sushma G.; Prakashareddy, J.","Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition.","Organic & biomolecular chemistry","2005","3","20","3720","3726","10.1039/b509216g","","","0.71073","MoKα","","0.0814","0.0631","","","0.1485","0.1554","","","","","","0.997","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150275","9.3831","0.0008","9.6997","0.0009","10.247","0.0009","117.46","0.002","95.447","0.001","106.754","0.001","763.39","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","- C32 H34 O8 S2 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.1246","0.0619","","","0.1297","0.1559","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150276","8.8583","0.0005","9.1667","0.0005","15.4654","0.0004","88.41","0.001","80.604","0.003","65.605","0.003","1127.25","0.1","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H70 O6 -","- C52 H70 O6 -","- C52 H70 O6 -","1","0.5","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","0.71073","MoKα","","0.0778","0.0467","","","0.1298","0.1551","","","","","","0.983","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150277","8.72","0.005","12.944","0.009","8.918","0.005","90","0.02","100.47","0.04","90","0.03","989.8","1.1","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Müller, Petra U; Weber, Edwin; Rheinwald, Gerd; Seichter, Wilhelm","Oligofunctional amphiphiles featuring geometric core group preorganization: synthesis and study of Langmuir and Langmuir-Blodgett films.","Organic & biomolecular chemistry","2005","3","20","3757","3766","10.1039/b509917j","","","1.5418","CuKα","","0.0814","0.0606","","","0.1554","0.1744","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150278","9.932","0.0005","11.5642","0.0006","14.7502","0.0004","90","","90","","90","","1694.14","0.13","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0532","0.0383","","","0.0887","0.0967","","","","","","0.97","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150279","9.9622","0.0003","11.5421","0.0003","14.9696","0.0003","90","","90","","90","","1721.28","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0487","0.0404","","","0.0953","0.1001","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150280","10.8751","0.0003","13.6785","0.0004","16.9532","0.0004","74.165","0.002","75.054","0.002","69.839","0.001","2239.71","0.11","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C27 H30 O2 S -","- C27 H30 O2 S -","- C108 H120 O8 S4 -","4","2","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0698","0.0448","","","0.0976","0.109","","","","","","1.044","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150281","21.1744","0.0009","21.1744","0.0009","9.5008","0.0006","90","","90","","90","","4259.7","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 42/n :2","-P 4bc","86","","","","- C24 H32 O2 S -","- C24 H32 O2 S -","- C192 H256 O16 S8 -","8","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.1263","0.0684","","","0.1453","0.178","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150282","25.1991","0.0004","8.6736","0.0002","12.6158","0.0002","90","","90","","90","","2757.4","0.09","150","","150","","","","","","","","synthesis as described","3","P b c n","-P 2n 2ab","60","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.0612","0.0337","","0.0596","0.0381","0.0381","","","","","","1.1219","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150283","9.6741","0.0002","12.6292","0.0002","13.1081","0.0002","65.7093","0.001","71.7542","0.0009","83.9297","0.0007","1385.83","0.04","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","- C46 H54 F24 N10 P4 -","1","0.5","","Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.","Tetrakis(imidazolium) macrocyclic receptors for anion binding.","Organic & biomolecular chemistry","2005","3","23","4201","4208","10.1039/b510068b","","","0.71073","MoKα","","0.1081","0.0526","","0.094","0.0611","0.0611","","","","","","1.1089","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150284","17.771","0.005","10.833","0.002","15.115","0.004","90","","124.564","0.018","90","","2396.2","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,4'-dihydroxybenzil","","","- C14 H10 O4 -","- C14 H10 O4 -","- C112 H80 O32 -","8","1","","Lion, Cedric J.; Vasselin, David A.; Schwalbe, Carl H.; Matthews, Charles S.; Stevens, Malcolm F. G.; Westwell, Andrew D.","Novel reaction products from the hypervalent iodine oxidation of hydroxylated stilbenes and isoflavones.","Organic & biomolecular chemistry","2005","3","21","3996","4001","10.1039/b510240e","","","0.71073","MoKα","","0.07","0.0435","","","0.1113","0.1268","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150285","8.7617","0.0012","12.4255","0.0016","37.845","0.005","90","","94.123","0.003","90","","4109.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl2 N O3 S -","- C20 H19 Cl2 N O3 S -","- C160 H152 Cl16 N8 O24 S8 -","8","2","","Zhao, Gui-Ling; Shi, Min","Baylis-Hillman reactions of N-tosyl aldimines and aryl aldehydes with 3-methylpenta-3,4-dien-2-one.","Organic & biomolecular chemistry","2005","3","20","3686","3694","10.1039/b510572b","","","0.71073","MoKα","","0.1297","0.0653","","","0.1469","0.177","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150286","7.7703","0.0001","20.6759","0.0003","11.1315","0.0002","90","","95.594","0.001","90","","1779.85","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(4-Pyrrolidino)-(2,3,5,6-tetrachloropyridin-4-yl)- pyridinium tetrafluoroborate","1-(4-Pyrrolidino)-[2,3,5,6-tetrachloropyridin-4-yl]-pyridinium tetrafluoroborate","","- C14 H12 B Cl4 F4 N3 -","- C14 H12 B Cl4 F4 N3 -","- C56 H48 B4 Cl16 F16 N12 -","4","1","","Schmidt, Andreas; Mordhorst, Thorsten; Nieger, Martin","From uncharged to decacationic molecules: syntheses and spectroscopic properties of heteroarenium-substituted pyridines.","Organic & biomolecular chemistry","2005","3","20","3788","3793","10.1039/b510627c","","","0.71073","MoKα","","0.0392","0.032","","","0.0798","0.0831","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150287","10.244","0.002","13.92","0.003","13.155","0.003","90","","92.4243","0.0017","90","","1874.2","0.7","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C80 H72 N8 O32 -","8","2","","Palmer, Francine N.; Lach, Franck; Poriel, Cyril; Pepper, Adrian G.; Bagley, Mark C.; Slawin, Alexandra M. Z.; Moody, Christopher J.","The diazo route to diazonamide A: studies on the tyrosine-derived fragment.","Organic & biomolecular chemistry","2005","3","20","3805","3811","10.1039/b510653b","","","0.71073","MoKα","","0.0471","0.0367","","","0.0886","0.0937","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150288","8.418","0.003","13.169","0.009","15.523","0.013","90","","90","","90","","1721","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","bis(1,2,3,4-tetramethylcyclopentadienyl)selenium","","- C18 H26 Se -","- C18 H26 Se -","- C72 H104 Se4 -","4","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","1.5418","CuKα","","0.0302","0.0295","","","0.0741","0.0748","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150289","7.325","0.002","8.283","0.003","8.758","0.003","62.64","0.03","84.18","0.03","67.59","0.03","434.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,4,5,6,7,10,11,12-octamethyltricyclo(7.3.0.0)-2,8- diselenadodeca-3,5,9,11-tetraene","1,4,5,6,7,10,11,12-octamethyltricyclo[7.3.0.0]- 2,8-diselenadodeca-3,5,9,11-tetraene","","- C9 H12 Se -","- C9 H12 Se -","- C18 H24 Se2 -","2","1","","Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo","Tetramethylcyclopentadienylselenium derivatives.","Organic & biomolecular chemistry","2005","3","21","3990","3995","10.1039/b510981g","","","0.71069","MoKα","","0.076","0.0489","","","0.112","0.1201","","","","","","1.154","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150290","6.7593","0.0005","7.8597","0.0006","18.4268","0.0014","90","","90.99","0.004","90","","978.8","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Basak, Amit; Ghosh, Subhash C.; Das, Amit K.; Bertolasi, Valerio","A novel azetidinyl gamma-lactam based peptide with a preference for beta-turn conformation.","Organic & biomolecular chemistry","2005","3","22","4050","4052","10.1039/b511029g","","","0.71073","MoKα","","0.1237","0.0517","","","0.1133","0.1422","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150291","10.712","","13.782","","14.26","","90","","90","","90","","2105.24","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Mitjans, David","Kinetic and thermodynamic stereocontrol in the atroposelective formation of sulfoxides by oxidation of 2-sulfanyl-1-naphthamides.","Organic & biomolecular chemistry","2005","3","21","3898","3904","10.1039/b511452g","","","0.71069","MoKα","","0.0328","0.0314","","","0.0877","0.089","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150292","9.413","0.0019","10.281","0.002","11.618","0.002","101.32","0.03","109.63","0.03","112.28","0.03","909.9","0.6","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C48 H44 N4 O2 -","2","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Shinkevich, Ekaterina Yu; Vidovic, Denis","Selective transannular ring transformations in azirino-fused eight-membered O,N- or S,N-heterocycles.","Organic & biomolecular chemistry","2005","3","22","4040","4042","10.1039/b512409c","","","0.71073","MoKα","","0.0616","0.0446","","","0.111","0.1196","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150293","9.8194","0.0002","20.3687","0.0009","10.7783","0.0004","90","","116.445","0.002","90","","1930.18","0.12","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0758","0.0472","","0.1615","0.1114","","","","1.042","1.098","1.098","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150294","6.4142","0.0004","13.0225","0.0013","12.6626","0.0012","90","","91.031","0.005","90","","1057.52","0.16","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O9 -","- C21 H27 N O9 -","- C42 H54 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0857","0.0694","","","0.1661","0.176","","","","","","1.153","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150295","6.8253","0.0002","12.1456","0.0006","15.2031","0.0012","113.501","0.002","93.419","0.003","92.824","0.005","1150.02","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H28 Cl N O9 -","- C21.5 H28 Cl N O9 -","- C43 H56 Cl2 N2 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0932","0.0541","","","0.1142","0.131","","","","","","1.039","","","","has coordinates,has disorder","301861","2025-08-22","11:11:46",""
"7150296","12.0281","0.0006","17.769","0.0009","14.0771","0.0005","90","","114.804","0.003","90","","2731.1","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 O8 -","- C32 H32 O8 -","- C128 H128 O32 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.079","0.0519","","","0.1151","0.1281","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150297","6.6987","0.0003","13.8444","0.0007","14.0583","0.0007","105.07","0.002","101.138","0.003","95.648","0.003","1219.91","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 Cl2 O9 -","- C22 H30 Cl2 O9 -","- C44 H60 Cl4 O18 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0878","0.0522","","","0.1191","0.1345","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150298","14.6048","0.0006","7.954","0.0004","19.9249","0.0009","90","","99.051","0.003","90","","2285.79","0.18","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O9 -","- C23 H29 N O9 -","- C92 H116 N4 O36 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1226","0.0524","","0.1746","0.108","","","","1.012","1.14","1.14","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150299","10.4467","0.0003","11.4334","0.0004","18.614","0.0007","90","","91.264","0.002","90","","2222.74","0.13","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O10 -","- C21 H30 O10 -","- C84 H120 O40 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0877","0.0497","","0.1639","0.1135","","","","1.049","1.116","1.116","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150300","9.2857","0.0003","10.4352","0.0003","21.127","0.0008","90","","90","","90","","2047.17","0.12","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0955","0.0685","","","0.1884","0.2063","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150301","19.0707","0.0007","13.0777","0.0003","27.3853","0.0011","90","","90","","90","","6829.9","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O7 -","- C16 H21 N O7 -","- C256 H336 N16 O112 -","16","2","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1362","0.0546","","0.1867","0.1189","","","","1.013","1.139","1.139","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150302","14.2904","0.0008","10.495","0.0006","11.2184","0.0004","90","","108.84","0.003","90","","1592.37","0.14","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O7 -","- C14 H23 N O7 -","- C56 H92 N4 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0923","0.0498","","0.187","0.1305","","","","1.068","1.119","1.119","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150303","7.9383","0.0002","14.4423","0.0003","15.4979","0.0004","90","","90","","90","","1776.79","0.07","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O6 -","- C17 H28 O6 -","- C68 H112 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0557","0.0439","","","0.1015","0.1075","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150304","8.5902","0.0002","10.0809","0.0002","16.5589","0.0004","90","","90","","90","","1433.95","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0419","0.0357","","","0.0792","0.0828","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150305","10.4635","0.0003","9.3926","0.0002","10.5987","0.0003","90","","111.888","0.001","90","","966.55","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27.5 Br O6.25 -","- C17 H27 Br O6.25 -","- C34 H54 Br2 O12.5 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0738","0.0635","","","0.1591","0.1663","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150306","9.9656","0.0007","17.1331","0.0013","8","0.0004","90","","100.757","0.004","90","","1341.93","0.16","180","2","180","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.0506","0.0367","","0.145","0.0835","","","","1.073","1.088","1.088","","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150307","8.9592","0.0007","9.2569","0.0006","15.3512","0.0011","79.472","0.001","83.129","0.001","69.351","0.001","1169.19","0.15","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O7 S -","- C24 H27 N O7 S -","- C48 H54 N2 O14 S2 -","2","1","","Mitchell, Judith M.; Finney, Nathaniel S.","Synthetic studies of pseurotin A: preparation of an advanced lactam aldehyde intermediate.","Organic & biomolecular chemistry","2005","3","23","4274","4281","10.1039/b512701g","","","0.71073","MoKα","","0.0713","0.0596","","","0.1529","0.1614","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150308","15.3223","0.0004","12.7909","0.0003","14.0095","0.0005","90","","104.82","0.0012","90","","2654.34","0.13","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H29 N O2 -","- C33 H29 N O2 -","- C132 H116 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0952","0.0509","","0.1048","0.0508","0.0508","","","","","","1.0101","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150309","9.6597","0.0002","14.5094","0.0002","17.0652","0.0003","90","","95.093","0.0006","90","","2382.35","0.07","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0613","0.0413","","0.0644","0.0507","0.0507","","","","","","1.0614","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150310","11.608","0.0003","17.2569","0.0005","17.9855","0.0005","90","","103.702","0.0017","90","","3500.29","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N O3 -","- C46 H37 N O3 -","- C184 H148 N4 O12 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.1193","0.0463","","0.1191","0.0528","0.0528","","","","","","0.9006","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150311","17.7513","0.0003","5.9105","0.0001","23.5922","0.0005","90","","96.6068","0.0009","90","","2458.83","0.08","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.0723","0.0395","","0.0696","0.046","0.046","","","","","","1.0569","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7150312","22.3209","0.0006","5.822","0.0002","22.4854","0.0007","90","","116.634","0.0012","90","","2611.97","0.14","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H27 N O2 -","- C36 H27 N O2 -","- C144 H108 N4 O8 -","4","1","","Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander","On the reaction of diphenylketene with isocyanides.","Organic & biomolecular chemistry","2005","3","23","4246","4251","10.1039/B512826A","","","0.71073","MoKα","","0.084","0.0396","","0.079","0.0415","0.0415","","","","","","1.0962","","","","has coordinates","301861","2025-08-22","11:11:46",""
"7151345","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","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151346","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","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.1293","0.0521","","","0.125","0.1498","","","","","","1.008","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151347","23.051","0.001","7.509","0.001","7.739","0.001","90","","90","","90","","1339.5","0.3","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","clausine H","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Kataeva, Olga; Krahl, Micha P.; Knölker, Hans-Joachim","First total synthesis of the biologically active 2,7-dioxygenated tricyclic carbazole alkaloids 7-methoxy-O-methylmukonal, clausine H (clauszoline-C), clausine K (clauszoline-J) and clausine O.","Organic & biomolecular chemistry","2005","3","17","3099","3101","10.1039/b507660a","","","0.71073","MoKα","","0.0458","0.0324","","","0.0693","0.074","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151348","24.2176","0.0008","14.582","0.0005","14.204","0.0005","90","","90","","90","","5016","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","6a in paper","","","- C25 H28 Cl2 N2 O2 S -","- C25 H28 Cl2 N2 O2 S -","- C200 H224 Cl16 N16 O16 S8 -","8","2","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0688","0.0588","","","0.1529","0.1612","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151349","11.762","0.0001","13.0069","0.0001","14.7316","0.0002","90","","97.724","0.001","90","","2233.3","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6b in paper","","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C104 H108 N12 O16 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0583","0.0413","","","0.0999","0.1098","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151350","15.6913","0.0001","16.5338","0.0002","18.142","0.0002","90","","99.574","0.001","90","","4641.15","0.08","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6c in paper?","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C216 H240 N16 O24 -","8","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1037","0.0495","","","0.1203","0.1477","","","","","","1.007","","","","has coordinates,has disorder","301861","2025-08-22","11:11:49",""
"7151351","9.8924","0.0002","10.3918","0.0002","23.1132","0.0004","90","","95.472","0.001","90","","2365.21","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6e in paper","","","- C25 H26 N2 O2 S -","- C26 H32 N2 O3 S -","- C104 H128 N8 O12 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.0653","0.0414","","","0.1027","0.1147","","","","","","1.028","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151352","8.6239","0.0001","22.0514","0.0004","13.2225","0.0001","90","","100.164","0.001","90","","2475.05","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6f in paper","","","- C25 H28 N2 O2 S -","- C29 H26.815 N2 O2 S -","- C116 H107.26 N8 O8 S4 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.1031","0.0675","","","0.1907","0.2133","","","","","","1.038","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151353","11.5257","0.0003","12.9651","0.0004","10.7417","0.0003","90","","94.77","0.001","90","","1599.59","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6l in paper","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Karpov, Alexei S.; Rominger, Frank; Müller, Thomas J J","A diversity oriented four-component approach to tetrahydro-beta-carbolines initiated by Sonogashira coupling.","Organic & biomolecular chemistry","2005","3","24","4382","4391","10.1039/b511861a","","","0.71073","MoKα","","0.046","0.0358","","","0.0893","0.0959","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151354","11.25","0.0002","11.291","0.0002","11.708","0.0002","76.459","0.001","64.71","0.001","64.809","0.001","1214.28","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C54 H52 N4 O14 -","2","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety – synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0837","0.0634","","","0.1751","0.1938","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151355","11.1011","0.0012","21.952","0.002","15.9307","0.0017","90","","103.285","0.002","90","","3778.3","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 N2 O17 -","- C39 H38 N2 O17 -","- C156 H152 N8 O68 -","4","1","","Heaney, Frances; McCarthy, Tomas; Mahon, Mary; McKee, V.","Bridgehead nitrogen heterocycles which contain the quinazoline moiety – synthesis and cycloaddition of 1,2-dihydroquinazoline 3-oxides.","Organic & biomolecular chemistry","2005","3","24","4351","4361","10.1039/b511998g","","","0.71073","MoKα","","0.0958","0.0475","","","0.1027","0.1226","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:11:49",""
"7151356","10.675","0.0004","10.8521","0.0005","33.594","0.0012","90","","90","","90","","3891.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetic acid 5-(5-acetoxy-2,2-dimethyl-(1,3)dioxan-5-yl-ONN- azoxy)-2,2-dimethyl-(1,3)dioxan-5-yl ester","","","- C16 H26 N2 O9 -","- C16 H26 N2 O9 -","- C128 H208 N16 O72 -","8","1","","Calvet, Géraldine; Guillot, Régis; Blanchard, Nicolas; Kouklovsky, Cyrille","Intermolecular nitroso Diels-Alder cycloaddition of alpha-acetoxynitroso derivatives in aqueous medium.","Organic & biomolecular chemistry","2005","3","24","4395","4401","10.1039/b513397a","","","0.71073","MoKα","","0.0788","0.0452","","","0.1168","0.1383","","","","","","1.069","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7204165","11.2391","0.0002","12.889","0.0002","14.478","0.0004","90.734","0.001","110.956","0.001","112.21","0.001","1786.49","0.07","","","123","2","","","","","","","","4","P -1","-P 1","2","2,8,14,20-tetra(p-butoxy-phenyl)resorcinarene DMF/acetone solvate","2,8,14,20-tetra(p-butoxy-phenyl)pentacyclo-[19.3.1.13,7.19,13.115,19]octacosa- 1-(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene- 4,6,10,12,16,18,22,24-octaol","","- C80 H98 N2 O16 -","- C80.02 H98.06 N2 O16 -","- C80.02 H98.06 N2 O16 -","1","0.5","","Brett A. Roberts; Gareth W. V. Cave; Colin L. Raston; Janet L. Scott","Solvent-free synthesis of calix[4]resorcinarenes","Green Chem.","","3","6","280","284","10.1039/b104430n","","","0.71073","MoKα","","0.2155","0.0979","","","0.2273","0.2877","","","","","","0.938","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204218","9.1435","0.0002","27.8109","0.0003","5.8488","0.001","90","","90","","90","","1487.3","0.3","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","","Correa, Waldo H.; Scott, Janet L.","Solvent-free, two-step synthesis of some unsymmetrical 4-aryl-1,4-dihydropyridines","Green Chemistry","2001","3","6","296","301","10.1039/b106397a","","","0.71073","MoKα","","0.0869","0.049","","","0.0883","0.1012","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:06:30",""
"7204901","12.717","0.003","12.894","0.003","7.274","0.001","90","","118.49","0.03","90","","1048.3","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H6 Bi Cl4 N -","- C5 H6 Bi Cl4 N -","- C20 H24 Bi4 Cl16 N4 -","4","1","","Jóźków, Jolanta; Medycki, Wojciech; Zaleski, Jacek; Jakubas, Ryszard; Bator, Grażyna; Ciunik, Zbigniew","Structure, phase transition and molecular motions in (C5H5NH)BiCl4","Physical Chemistry Chemical Physics","2001","3","15","3222","","10.1039/b102697f","","","0.71073","MoKα","","0.034","0.0268","","","0.0693","0.0718","","","","","","1.129","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7204902","19.8693","0.0009","13.459","0.0005","30.405","0.002","90","","108.422","0.002","90","","7714.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","sodium 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra(benzoyl)methoxy calix(4)arene monoacetonitrile perchlorate","","- C80 H91 Cl N Na O14 -","- C80 H88 Cl N Na O14 -","- C320 H352 Cl4 N4 Na4 O56 -","4","1","","Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose","Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex","Physical Chemistry Chemical Physics","2001","3","18","4010","","10.1039/b104355m","","","0.71073","MoKα","","0.1504","0.1066","","","0.3058","0.3416","","","","","","1.32","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204903","29.487","0.004","24.884","0.002","20.322","0.004","90","","115.49","0.01","90","","13460","4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra(benzoyl)methoxy calix(4)arene","","- C76 H80 O8 -","- C76 H80 O8 -","- C608 H640 O64 -","8","1","","Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose","Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex","Physical Chemistry Chemical Physics","2001","3","18","4010","","10.1039/b104355m","","","1.54184","CuKα","","0.2183","0.0763","","0.2902","0.1735","","","","1.061","1.082","1.082","","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204905","6.8645","0.0003","19.7584","0.0012","13.7107","0.0007","90","","95.978","0.003","90","","1849.49","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(dcbpy)(CO)2I2.(H2O)","","","- C14 H10 I2 N2 O7 Ru -","- C14 H10 I2 N2 O7 Ru -","- C56 H40 I8 N8 O28 Ru4 -","4","1","","Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko","Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]","Physical Chemistry Chemical Physics","2001","3","11","1992","","10.1039/b100659m","","","0.71073","MoKα","","0.0449","0.0311","","","0.0646","0.0692","","","","","","1.054","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7216696","9.624","0.003","9.777","0.003","10.267","0.003","89.282","0.007","73.95","0.006","86.894","0.006","927","0.5","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H12 F6 -","- C24 H12 F6 -","- C48 H24 F12 -","2","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","","0.0636","","","","0.166","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216697","9.7598","0.0016","9.8853","0.0016","11.7566","0.0019","71.537","0.005","81.277","0.006","76.796","0.005","1043.6","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 F6 -","- C28 H16 F6 -","- C56 H32 F12 -","2","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","","0.0817","","","","0.2548","","","","","","1.034","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216698","21.785","0.005","5.4006","0.0013","16.888","0.004","90","","104.112","0.004","90","","1926.9","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F6 S2 -","- C24 H12 F6 S2 -","- C96 H48 F24 S8 -","4","0.5","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71073","MoKα","","0.0609","0.051","","","0.1536","0.1636","","","","","","1.238","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216699","11.8145","","8.9218","","12.4651","","90","","95.06","","90","","1308.78","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 F6 O2 -","- C34 H20 F6 O2 -","- C136 H80 F24 O8 -","4","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","","","","","","","","","","","","","","","","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216700","15.259","0.004","11.705","0.003","12.681","0.003","90","","113.096","0.005","90","","2083.4","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H8 F16 -","- C21 H8 F16 -","- C84 H32 F64 -","4","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","0.0745","0.0584","","","0.1433","0.1541","","","","","","1.088","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216701","28.388","0.009","5.7555","0.0015","14.35","0.005","90","","76.509","0.005","90","","2279.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 F20 -","- C23 H8 F20 -","- C92 H32 F80 -","4","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","0.0914","0.0634","","","0.1545","0.173","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7221497","4.13","","4.13","","7.4","","90","","90","","90","","126.221","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Na Al Si4","","- Al Na Si4 -","- Al Na Si4 -","- Al Na Si4 -","1","0.0625","","Nowotny, H.; Scheil, E.","Ueber eine ternaere Verbindung im System Aluminium-Silicium- Natrium","Metallforschung","1947","3","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221940","6.94901","0.00031","5.59224","0.00027","9.46525","0.00043","90","","90","","90","","367.82","0.03","300","","300","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475 -","- Al0.05 Ca0.475 Ce0.025 Li0.025 O2 Si0.45 Sr0.475 -","- Al0.4 Ca3.8 Ce0.2 Li0.2 O16 Si3.6 Sr3.8 -","8","1","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.73","1.21","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221941","6.95269","0.00033","5.58722","0.00028","9.45515","0.00045","90","","90","","90","","367.3","0.03","300","","300","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475 -","- Al0.005 Ca0.475 Ce0.025 Li0.025 O2 Si0.495 Sr0.475 -","- Al0.04 Ca3.8 Ce0.2 Li0.2 O16 Si3.96 Sr3.8 -","8","1","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.44","1.337","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221942","6.95409","0.00035","5.58264","0.00029","9.45199","0.00048","90","","90","","90","","366.95","0.03","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","- Ca3.8 Ce0.2 Li0.2 O16 Si4 Sr3.8 -","1","0.125","","Shihai Miao; Zhiguo Xia; Maxim S. Molokeev; Mingyue Chen; Jie Zhang; Quanlin Liu","Effect of Al/Si Substitution on the Structure and Luminescence Properties of CaSrSiO4:Ce3+ Phosphor: Analysis based on the Polyhedral Distortion","Journal of Materials Chemistry C","2015","3","18","4616","4622","10.1039/C5TC00339C","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.464","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221943","20.4644","0.002","9.31815","0.00087","5.54812","0.0005","90","","90","","90","","1057.97","0.17","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ca19.81 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","- Ca19.808 Eu1.2 O48 Si12 Sr3 -","1","0.25","","Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu","Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors","Journal of Materials Chemistry C","2015","3","0","8322","8328","10.1039/C5TC01629K","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.75","1.256","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7221944","20.5411","0.0023","9.34901","0.00088","5.55337","0.00054","90","","90","","90","","1066.46","0.19","300","","300","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","- Ca17.4 Ce1.2 Li1.2 O48 Si12 Sr4.2 -","1","0.25","","Shihai Miao; Zhiguo Xia; Maxim Molokeev; Jie Zhang; QuanLin Liu","Crystal Structure Refinement and Luminescence Property of Blue-Green-Emitting CaSrAl2SiO7:Ce3+,Li+,Eu2+ Phosphors","Journal of Materials Chemistry C","2015","3","0","8322","8328","10.1039/C5TC01629K","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.8","1.443","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224688","12.4859","0.0002","4.69043","0.00012","13.94982","0.00027","90","","93.558","0.001","90","","815.39","0.03","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12 -","- Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12 -","- Ba7.69 Ce0.14 Eu0.03 Li0.14 O32 Si12 -","1","0.25","","Mingyue Chen; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu","Insights into Ba4Si6O16 structure and photoluminescence tuning of Ba4Si6O16:Ce3+,Eu2+ phosphors","Journal of Materials Chemistry C","2015","3","0","12477","12483","10.1039/c5tc03271g","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.8","1.325","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7224689","12.48631","0.00023","4.69045","0.00012","13.94852","0.00029","90","","93.5664","0.0011","90","","815.33","0.03","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba7.72 Ce0.14 Li0.14 O32 Si12 -","- Ba7.72 Ce0.14 Li0.14 O32 Si12 -","- Ba7.72 Ce0.14 Li0.14 O32 Si12 -","1","0.25","","Mingyue Chen; Zhiguo Xia; Maxim S. Molokeev; Quanlin Liu","Insights into Ba4Si6O16 structure and photoluminescence tuning of Ba4Si6O16:Ce3+,Eu2+ phosphors","Journal of Materials Chemistry C","2015","3","0","12477","12483","10.1039/c5tc03271g","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.25","1.221","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7228257","7.5286","0.0001","7.5286","0.0001","7.5286","0.0001","90","","90","","90","","426.72","0.01","","","293","","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- Cu2.667 Li2.667 Nb8 O24 -","- Cu2.664 Li2.664 Nb8 O24 -","- Cu2.664 Li2.664 Nb8 O24 -","1","0.0416667","","Mineo Sato; Yoshiki Hama","Structure of new perovskite-related compounds, LiCuM3O9 (M = Nb, Ta)","Journal of Materials Chemistry","1993","3","","233","236","10.1039/JM9930300233","powder diffraction","x-ray","1.54185","CuKα","","","","","","","","0.0271","0.0308","","","","","","","","has coordinates","196673","2020-10-21","18:00:00",""
"7228258","7.5178","0.0001","7.5178","0.0001","7.5178","0.0001","90","","90","","90","","424.886","0.01","","","293","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu2.667 Li2.667 O24 Ta8 -","- Cu2.67 Li2.67 O24 Ta8 -","- Cu2.67 Li2.67 O24 Ta8 -","1","0.0208333","","Mineo Sato; Yoshiki Hama","Structure of new perovskite-related compounds, LiCuM3O9 (M = Nb, Ta)","Journal of Materials Chemistry","1993","3","","233","236","10.1039/JM9930300233","powder diffraction","x-ray","1.54185","CuKα","","","","","","","","0.0328","0.0223","","","","","","","","has coordinates","196674","2020-10-21","18:00:00",""
"7228542","5.42","","5.42","","5.42","","90","","90","","90","","159.22","","","","","","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","1","","El Mendili, Y.; Abdelouas, A.; Bardeau, J.-F.","Impact of a sulphidogenic environment on the corrosion behavior of carbon steel at 90 °C","RSC Advances","2013","3","35","15148","15156","10.1039/C3RA42221F","","","","","","","","","","","","","","","","","","","","","has coordinates","303134","2025-11-01","10:44:21",""
"7233954","12.6244","0.0002","14.8163","0.0003","14.6426","0.0003","90","","91.253","0.002","90","","2738.2","0.09","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","DEATPE","4,4'-(2,2-diphenylethene-1,1-diyl)bis(N,N-diethylaniline)","","- C34 H38 N2 -","- C34 H38 N2 -","- C136 H152 N8 -","4","1","","Yiliu Lin; Gan Chen; Lifang Zhao; Wang Zhang Yuan; Yongming Zhang; Ben Zhong Tang","Diethylamino functionalized tetraphenylethenes: structural and electronic modulation of photophysical properties, implication for the CIE mechanism and application to cell imaging","Journal of Materials Chemistry C","2015","3","","112","120","10.1039/C4TC02161D","","","1.54178","CuKα","","0.06","0.0503","","","0.1419","0.147","","","","","","1.024","","","","has coordinates,has disorder","218537","2020-10-21","18:00:00",""
"7233955","9.6825","0.0004","10.7418","0.0005","14.3568","0.0007","73.476","0.004","76.694","0.004","88.074","0.004","1392.3","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(2,2-bis(4-fluorophenyl)ethene-1,1-diyl)bis(N,N-diethylaniline)","","- C34 H36 F2 N2 -","- C34 H36 F2 N2 -","- C68 H72 F4 N4 -","2","1","","Yiliu Lin; Gan Chen; Lifang Zhao; Wang Zhang Yuan; Yongming Zhang; Ben Zhong Tang","Diethylamino functionalized tetraphenylethenes: structural and electronic modulation of photophysical properties, implication for the CIE mechanism and application to cell imaging","Journal of Materials Chemistry C","2015","3","","112","120","10.1039/C4TC02161D","","","1.54178","CuKα","","0.047","0.0403","","","0.116","0.1196","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233956","10.47","0.003","15.697","0.004","39.879","0.011","90","","91.893","0.004","90","","6550","3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H29 B Cl Cu F4 N5 P -","- C31.5 H29 B Cl Cu F4 N5 P -","- C252 H232 B8 Cl8 Cu8 F32 N40 P8 -","8","2","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.0841","0.0592","","","0.1356","0.1495","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233957","20.5475","0.0013","10.2304","0.0006","32.811","0.002","90","","90","","90","","6897.2","0.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C35 H36 B Cu F4 N5 P -","- C35 H36 B Cu F4 N5 P -","- C280 H288 B8 Cu8 F32 N40 P8 -","8","2","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.1386","0.1001","","","0.2609","0.2945","","","","","","1.072","","","","has coordinates","218540","2020-10-21","18:00:00",""
"7233958","16.775","0.006","16.685","0.006","18.348","0.007","90","","112.177","0.009","90","","4756","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 B Cu F4 N5 P -","- C43 H52 B Cu F4 N5 P -","- C172 H208 B4 Cu4 F16 N20 P4 -","4","1","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.1779","0.0761","","","0.1734","0.2021","","","","","","0.932","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233959","13.96","0.04","14.57","0.02","14.67","0.02","117.544","0.019","99.86","0.03","95.08","0.03","2558","9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H44 B Cu F4 N5 P -","- C55 H44 B Cu F4 N5 P -","- C110 H88 B2 Cu2 F8 N10 P2 -","2","1","","Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu","Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes","Journal of Materials Chemistry C","2015","3","","138","146","10.1039/C4TC01885K","","","0.71073","MoKα","","0.1926","0.0964","","","0.2268","0.2854","","","","","","0.831","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233960","4.7039","0.0002","9.3029","0.0003","16.8491","0.0006","100.068","0.002","92.587","0.002","99.396","0.002","714.16","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","1","0.5","","Mina Kim; Dong Ryeol Whang; Johannes Gierschner; Soo Young Park","A distyrylbenzene based highly efficient deep red/near-infrared emitting organic solid","Journal of Materials Chemistry C","2015","3","","231","234","10.1039/C4TC01763C","","","0.71073","MoKα","","0.0656","0.0538","","","0.1601","0.1712","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233961","17.7183","0.0015","9.8193","0.0008","13.5232","0.0012","90","","109.717","0.004","90","","2214.8","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 Cl6 Si6 -","- C6 H18 Cl6 Si6 -","- C24 H72 Cl24 Si24 -","4","0.5","","Sung Jin Park; Hyeon Mo Cho; Myong Euy Lee; Miyoung Kim; Kwenwoo Han; Seunghee Hong; Sanghak Lim; Hansong Lee; Byeonggyu Hwang; Sang Kyun Kim; Sangdeok Shim; Philjae Kang; Moon-Gun Choi","Soluble polycyclosilane-polysiloxane hybrid material and silicon thin film with optical properties at 193 nm and etch selectivity","Journal of Materials Chemistry C","2015","3","","239","242","10.1039/C4TC01917B","","","0.71073","MoKα","","0.0555","0.0506","","","0.1353","0.1391","","","","","","1.143","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233962","23.3514","0.0005","23.3514","0.0005","23.3514","0.0005","90","","90","","90","","12733.2","0.5","230","2","230","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C18 H48 O6 Si6 -","- C18 H48 O6 Si6 -","- C288 H768 O96 Si96 -","16","0.333333","","Sung Jin Park; Hyeon Mo Cho; Myong Euy Lee; Miyoung Kim; Kwenwoo Han; Seunghee Hong; Sanghak Lim; Hansong Lee; Byeonggyu Hwang; Sang Kyun Kim; Sangdeok Shim; Philjae Kang; Moon-Gun Choi","Soluble polycyclosilane-polysiloxane hybrid material and silicon thin film with optical properties at 193 nm and etch selectivity","Journal of Materials Chemistry C","2015","3","","239","242","10.1039/C4TC01917B","","","0.71073","MoKα","","0.0902","0.0834","","","0.218","0.2289","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7233963","20.94","0.013","9.168","0.004","16.491","0.01","90","","114.673","0.007","90","","2877","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 N2 O2 Zn -","- C12 H10 Br2 N2 O2 Zn -","- C96 H80 Br16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0848","0.0642","","","0.1662","0.18","","","","","","0.993","","","","has coordinates","218547","2020-10-21","18:00:00",""
"7233964","21.042","0.014","8.881","0.005","16.352","0.01","90","","113.67","0.009","90","","2799","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C96 H80 Cl16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0848","0.074","","","0.233","0.2459","","","","","","1.046","","","","has coordinates","218548","2020-10-21","18:00:00",""
"7233965","21.005","0.004","9.1974","0.0009","16.531","0.003","90","","114.679","0.008","90","","2901.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 N2 O2 Zn -","- C12 H10 Br2 N2 O2 Zn -","- C96 H80 Br16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0789","0.052","","","0.1223","0.1327","","","","","","0.938","","","","has coordinates","218549","2020-10-21","18:00:00",""
"7233966","21.004","0.009","8.861","0.003","16.329","0.007","90","","113.747","0.006","90","","2781.8","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C96 H80 Cl16 N16 O16 Zn8 -","8","1","","Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo","Rare electron-transfer photochromic and thermochromic difunctional compounds","Journal of Materials Chemistry C","2015","3","","253","256","10.1039/C4TC01315H","","","0.71073","MoKα","","0.0852","0.0733","","","0.2273","0.2416","","","","","","1.027","","","","has coordinates","218550","2020-10-21","18:00:00",""
"7233993","7.1953","0.0004","17.8923","0.0009","11.5414","0.0005","90","","103.832","0.005","90","","1442.76","0.13","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 N4 S3 -","- C16 H6 N4 S3 -","- C64 H24 N16 S12 -","4","1","","Abby Casey; Yang Han; Zhuping Fei; Andrew J. P. White; Thomas D. Anthopoulos; Martin Heeney","Cyano substituted benzothiadiazole: a novel acceptor inducing n-type behaviour in conjugated polymers","Journal of Materials Chemistry C","2015","3","","265","275","10.1039/C4TC02008A","","","0.71073","MoKα","","0.0501","0.0387","","","0.0821","0.0885","","","","","","1.066","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7233994","7.2133","0.0002","14.5623","0.0004","16.4041","0.0005","91.618","0.007","97.367","0.007","98.76","0.007","1686.96","0.09","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 N4 S2 -","- C42 H36 N4 S2 -","- C84 H72 N8 S4 -","2","1","","Masahiro Nakano; Itaru Osaka; Kazuo Takimiya","Dibenzo[a,e]pentalene-embedded dicyanomethylene-substituted thienoquinoidals for n-channel organic semiconductors: synthesis, properties, and device characteristics","Journal of Materials Chemistry C","2015","3","","283","290","10.1039/C4TC02164A","","","1.54187","CuKα","","","0.0793","","","","0.2215","","","","","","1.054","","","","has coordinates","218576","2020-10-21","18:00:00",""
"7233995","7.7895","0.0008","11.882","0.003","17.8299","0.0006","84.474","0.009","78.079","0.004","80.66","0.02","1589.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Cl3 N4 S4 -","- C30 H19 Cl2.998 N4 S4 -","- C60 H38 Cl5.996 N8 S8 -","2","1","","Francois Baert; Clement Cabanetos; Antoine Leliege; Eva Kirchner; Olivier Segut; Olivier Aleveque; Magali Allain; Gijun Seo; Sungyeop Jung; Denis Tondelier; Bernard Geffroy; Jean Roncali; Philippe Leriche; Philippe Blanchard","A bridged low band gap A-D-A quaterthiophene as efficient donor for organic solar cells","Journal of Materials Chemistry C","2015","3","","390","398","10.1039/C4TC02212B","","x-ray","0.71073","MoKα","","0.1666","0.0696","","","0.1551","0.1961","","","","","","1.039","","","","has coordinates,has disorder","218577","2020-10-21","18:00:00",""
"7233996","21.0421","0.0017","32.775","0.003","28.371","0.002","90","","91.981","0.002","90","","19555","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H111 O25.5 S12 Ti6 -","- C62 H12 O25.5 S12 Ti6 -","- C496 H96 O204 S96 Ti48 -","8","2","","Jing-Xue Yin; Peng Huo; Sheng Wang; Jing Wu; Qin-Yu Zhu; Jie Dai","A tetrathiafulvalene-grafted titanium-oxo-cluster material: self-catalyzed crystal exfoliation and photocurrent response properties","Journal of Materials Chemistry C","2015","3","","409","415","10.1039/C4TC02009J","","","0.71075","MoKα","","0.2049","0.1138","","","0.1603","0.208","","","","","","1.035","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7233997","7.73","0.0015","11.04","0.002","14.68","0.003","79.75","0.03","87.94","0.03","89.29","0.03","1232","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N O -","- C28 H34 N4 O2 -","- C56 H68 N8 O4 -","2","1","","Anil Kuwar; Rahul Patil; Amanpreet Singh; Suban K. Sahoo; Jaromir Marek; Narinder Singh","A two-in-one dual channel chemosensor for Fe3+ and Cu2+ with nanomolar detection mimicking the IMPLICATION logic gate","Journal of Materials Chemistry C","2015","3","","453","460","10.1039/C4TC02147A","","","0.71073","MoKα","","0.0814","0.073","","","0.2305","0.2338","","","","","","1.143","","","","has coordinates","218579","2020-10-21","18:00:00",""
"7233998","8.7236","0.0005","12.0048","0.0007","12.6103","0.0008","68.024","0.006","83.699","0.005","85.6","0.005","1216.35","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Vanadium oxide phthalocyanine","Vanadyl phthalocyanine","","- C32 H16 N8 O V -","- C32 H16 N8 O V -","- C64 H32 N16 O2 V2 -","2","1","","Alexandra J. Ramadan; Luke A. Rochford; Dean S. Keeble; Paul Sullivan; Mary P. Ryan; Tim S. Jones; Sandrine Heutz","Exploring high temperature templating in non-planar phthalocyanine/copper iodide (111) bilayers","Journal of Materials Chemistry C","2015","3","","461","465","10.1039/C4TC02116A","","x-ray","0.71073","MoKα","","0.074","0.0494","","","0.1049","0.1164","","","","","","1.045","","","","has coordinates","218580","2020-10-21","18:00:00",""
"7233999","15.136","0.003","8.9997","0.0018","20.207","0.004","90","","104.56","0.03","90","","2664.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 B N2 O2 -","- C31 H31 B N2 O2 -","- C124 H124 B4 N8 O8 -","4","1","","Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang","Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission","Journal of Materials Chemistry C","2015","3","","499","505","10.1039/C4TC02070G","","","0.71073","MoKα","","0.1461","0.0651","","","0.1333","0.1664","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234000","10.62","0.002","10.757","0.002","18.073","0.004","79.44","0.03","88.37","0.03","76.63","0.03","1974.5","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H31 B N2 O2 -","- C31 H31 B N2 O2 -","- C93 H93 B3 N6 O6 -","3","3","","Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang","Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission","Journal of Materials Chemistry C","2015","3","","499","505","10.1039/C4TC02070G","","","0.71073","MoKα","","0.1697","0.0647","","","0.123","0.1642","","","","","","0.957","","","","has coordinates","218583","2020-10-21","18:00:00",""
"7234001","9.0631","0.0018","11.578","0.002","14.74","0.003","70.07","0.03","80.02","0.03","84.06","0.03","1430.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 B F10 N2 O2 -","- C31 H21 B F10 N2 O2 -","- C62 H42 B2 F20 N4 O4 -","2","1","","Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang","Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission","Journal of Materials Chemistry C","2015","3","","499","505","10.1039/C4TC02070G","","","0.71073","MoKα","","0.1078","0.0572","","","0.162","0.203","","","","","","0.939","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234002","16.8377","0.0013","5.6889","0.0004","15.3882","0.0011","90","","106.671","0.002","90","","1412.05","0.18","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","0.5","","Marta Reig; Joaquim Puigdollers; Dolores Velasco","Molecular order of air-stable p-type organic thin-film transistors by tuning the extension of the pi-conjugated core: the cases of indolo[3,2-b]carbazole and triindole semiconductors","Journal of Materials Chemistry C","2015","3","","506","513","10.1039/C4TC01692K","","","0.71073","MoKα","","0.0412","0.0397","","","0.1031","0.1048","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234003","10.2279","0.0012","11.9024","0.0014","19.51","0.002","106.347","0.002","95.623","0.002","102.023","0.002","2197.8","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 N2 -","- C29 H22 N2 -","- C116 H88 N8 -","4","2","","Lin Kong; Yu-peng Tian; Qi-yu Chen; Qiong Zhang; Hui Wang; Dong-qin Tan; Zhao-ming Xue; Jie-ying Wu; Hong-ping Zhou; Jia-xiang Yang","Self-assembly of metal ion induced highly emissive fluorophore-triphenylamine nanostructures: enhanced two-photon action cross-section for bioimaging applications","Journal of Materials Chemistry C","2015","3","","570","581","10.1039/C4TC01605J","","","0.71073","MoKα","","0.0994","0.0567","","","0.1191","0.149","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234004","6.0452","0.0005","7.701","0.0007","43.405","0.005","90","","90","","90","","2020.7","0.3","123","2","123","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C28 H14 S4 -","- C28 H14 S4 -","- C112 H56 S16 -","4","0.5","","Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts","Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties","Journal of Materials Chemistry C","2015","3","","674","685","10.1039/C4TC02158D","","","1.5418","CuKα","","0.0856","0.0762","","","0.2156","0.2296","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234005","11.8095","0.0007","5.8538","0.0003","7.9599","0.0005","90","","105.99","0.006","90","","528.98","0.06","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","0.5","","Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts","Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties","Journal of Materials Chemistry C","2015","3","","674","685","10.1039/C4TC02158D","","","1.5418","CuKα","","0.0467","0.0439","","","0.1191","0.1244","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234006","14.7987","0.0006","12.0088","0.0006","20.0244","0.0011","90","","90.598","0.003","90","","3558.4","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 F8 N8 O2 -","- C40 H32 F8 N8 O2 -","- C160 H128 F32 N32 O8 -","4","0.5","","Marco Saccone; Valentina Dichiarante; Alessandra Forni; Alexis Goulet-Hanssens; Gabriella Cavallo; Jaana Vapaavuori; Giancarlo Terraneo; Christopher J. Barrett; Giuseppe Resnati; Pierangelo Metrangolo; Arri Priimagi","Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning","Journal of Materials Chemistry C","2015","3","","759","768","10.1039/C4TC02315C","","","0.71073","MoKα","","0.0645","0.0378","","","0.0876","0.0977","","","","","","1.015","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234007","17.6158","0.0015","7.4356","0.0008","14.8281","0.0015","90","","98.184","0.003","90","","1922.5","0.3","103","2","103","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C44 H38 I2 N8 -","- C46 H38 I2 N8 -","- C92 H76 I4 N16 -","2","0.25","","Marco Saccone; Valentina Dichiarante; Alessandra Forni; Alexis Goulet-Hanssens; Gabriella Cavallo; Jaana Vapaavuori; Giancarlo Terraneo; Christopher J. Barrett; Giuseppe Resnati; Pierangelo Metrangolo; Arri Priimagi","Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning","Journal of Materials Chemistry C","2015","3","","759","768","10.1039/C4TC02315C","","","0.71073","MoKα","","0.0417","0.0351","","","0.0721","0.0753","","","","","","1.095","","","","has coordinates,has disorder","218589","2020-10-21","18:00:00",""
"7234008","6.1456","0.0006","6.1456","0.0006","10.5585","0.0011","90","","90","","120","","345.35","0.06","100","2","100","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Al2 O4 Sr -","- Al2 O4 Sr -","- Al8 O16 Sr4 -","4","0.333333","","Xufan Li; John D. Budai; Feng Liu; Yu-Sheng Chen; Jane Y. Howe; Chengjun Sun; Jonathan Z. Tischler; Richard S. Meltzer; Zhengwei Pan","Crystal structures and optical properties of new quaternary strontium europium aluminate luminescent nanoribbons","Journal of Materials Chemistry C","2015","3","","778","788","10.1039/C4TC02002B","","","0.4428","","","0.0708","0.059","","","0.1724","0.1808","","","","","","1.112","","","","has coordinates","218590","2020-10-21","18:00:00",""
"7234009","6.4282","0.0018","8.584","0.002","8.968","0.003","108.015","0.01","103.788","0.01","92.762","0.01","453","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C20 H16 F2 N6 -","2","1","","N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome","Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol","Journal of Materials Chemistry C","2015","3","","1056","1067","10.1039/C4TC02253J","","","0.71073","MoKα","","0.1285","0.0553","","","0.0998","0.1244","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234010","7.0606","0.0004","7.0918","0.0004","10.4983","0.0006","76.075","0.003","71.33","0.003","77.999","0.003","478.45","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 Cl N3 -","- C10 H8 Cl N3 -","- C20 H16 Cl2 N6 -","2","1","","N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome","Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol","Journal of Materials Chemistry C","2015","3","","1056","1067","10.1039/C4TC02253J","","","0.71073","MoKα","","0.045","0.0345","","","0.085","0.0897","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234011","6.7161","0.0018","16.551","0.005","11.136","0.003","90","","92.593","0.01","90","","1236.6","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F2 N4 -","- C12 H12 F2 N4 -","- C48 H48 F8 N16 -","4","1","","N. Venkatramaiah; Deisy M. G. C. Rocha; P. Srikanth; Filipe A. Almeida Paz; Joao P. C. Tome","Synthesis and photophysical characterization of dimethylamine-derived Zn(ii)phthalocyanines: exploring their potential as selective chemosensors for trinitrophenol","Journal of Materials Chemistry C","2015","3","","1056","1067","10.1039/C4TC02253J","","","0.71073","MoKα","","0.1423","0.0616","","","0.1413","0.1771","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234012","26.6146","0.0008","14.2867","0.0003","27.576","0.0007","90","","99.038","0.003","90","","10355.2","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H49 B Cu F4 N4 O0.5 P2 -","- C58 H49 B Cu F4 N4 O0.5 P2 -","- C464 H392 B8 Cu8 F32 N32 O4 P16 -","8","2","","Xu-Lin Chen; Chen-Sheng Lin; Xiao-Yuan Wu; Rongming Yu; Teng Teng; Qi-Kai Zhang; Qing Zhang; Wen-Bing Yang; Can-Zhong Lu","Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host","Journal of Materials Chemistry C","2015","3","","1187","1195","10.1039/C4TC02255F","","","1.54178","CuKα","","0.0757","0.0616","","","0.1779","0.2007","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234013","13.5909","0.0007","22.0914","0.0009","15.8659","0.0007","90","","92.711","0.003","90","","4758.3","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 B Cu F4 N4 O P2 -","- C56 H42 B Cu F4 N4 O P2 -","- C224 H168 B4 Cu4 F16 N16 O4 P8 -","4","1","","Xu-Lin Chen; Chen-Sheng Lin; Xiao-Yuan Wu; Rongming Yu; Teng Teng; Qi-Kai Zhang; Qing Zhang; Wen-Bing Yang; Can-Zhong Lu","Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host","Journal of Materials Chemistry C","2015","3","","1187","1195","10.1039/C4TC02255F","","","0.71073","MoKα","","0.0673","0.0568","","","0.1709","0.1827","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234014","9.0088","0.0009","9.6445","0.0009","14.0042","0.0013","96.309","0.002","98.175","0.001","92.359","0.002","1195.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diphenyl(3-(pyren-1-yl-)phenyl)phosphine oxide","","- C34 H23 O P -","- C34 H23 O P -","- C68 H46 O2 P2 -","2","1","","Godumala Mallesham; Chidirala Swetha; Surukonti Niveditha; Maneesha Esther Mohanty; Nanubolu Jagadeesh Babu; Arunandan Kumar; Kotamarthi Bhanuprakash; Vaidya Jayathirtha Rao","Phosphine oxide functionalized pyrenes as efficient blue light emitting multifunctional materials for organic light emitting diodes","Journal of Materials Chemistry C","2015","3","","1208","1224","10.1039/C4TC01753F","","","0.71073","MoKα","","0.0376","0.035","","","0.1011","0.1043","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234036","42.9951","0.0016","9.1135","0.0003","12.2084","0.0005","90","","106.498","0.004","90","","4586.7","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H96 N2 O3 -","- C119 H96 N2 O3 -","- C238 H192 N4 O6 -","2","0.5","","Qingyun Lu; Xiaofang Li; Jun Li; Zhiyong Yang; Bingjia Xu; Zhenguo Chi; Jiarui Xu; Yi Zhang","Influence of cyano groups on the properties of piezofluorochromic aggregation-induced emission enhancement compounds derived from tetraphenylvinyl-capped ethane","Journal of Materials Chemistry C","2015","3","","1225","1234","10.1039/C4TC02165G","","","1.54178","CuKα","","0.057","0.0556","","","0.1532","0.1552","","","","","","1.054","","","","has coordinates,has disorder","218692","2020-10-21","18:00:00",""
"7234037","9.6852","0.0014","11.1199","0.0016","21.963","0.003","93.231","0.002","95.749","0.002","112.722","0.002","2159.2","0.5","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C61 H48 -","- C61 H48 -","- C122 H96 -","2","1","","Qingyun Lu; Xiaofang Li; Jun Li; Zhiyong Yang; Bingjia Xu; Zhenguo Chi; Jiarui Xu; Yi Zhang","Influence of cyano groups on the properties of piezofluorochromic aggregation-induced emission enhancement compounds derived from tetraphenylvinyl-capped ethane","Journal of Materials Chemistry C","2015","3","","1225","1234","10.1039/C4TC02165G","","","0.71073","MoKα","","0.0779","0.0476","","","0.1237","0.1416","","","","","","1.048","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234038","9.5948","0.0003","20.3932","0.0005","11.8402","0.0004","90","","98.68","0.003","90","","2290.22","0.12","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 B2 N2 O2 -","- C30 H20 B2 N2 O2 -","- C120 H80 B8 N8 O8 -","4","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.1099","0.0566","","","0.1089","0.1315","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234039","10.3718","0.0006","10.6554","0.0006","11.367","0.0006","90.027","0.003","96.603","0.003","113.011","0.003","1147.19","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 B2 F2 N2 O2 -","- C30 H18 B2 F2 N2 O2 -","- C60 H36 B4 F4 N4 O4 -","2","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.0906","0.0557","","","0.1328","0.1484","","","","","","1.023","","","","has coordinates,has disorder","218694","2020-10-21","18:00:00",""
"7234040","9.5314","0.0002","14.0687","0.0003","12.3085","0.0003","90","","107.299","0.003","90","","1575.84","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,6-Difluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene","","- C32 H20 B2 Cl6 F2 N2 O2 -","- C32 H20 B2 Cl6 F2 N2 O2 -","- C64 H40 B4 Cl12 F4 N4 O4 -","2","0.5","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.0618","0.045","","","0.1007","0.1099","","","","","","1.035","","","","has coordinates,has disorder","218695","2020-10-21","18:00:00",""
"7234041","9.9401","0.0003","12.5613","0.0005","19.659","0.0008","90","","91.6","0.003","90","","2453.68","0.16","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,6-Dichloro-5,10-Bis(8-oxyquinolinato)-5,10-dihydroboranthrene","","- C30 H18 B2 Cl2 N2 O2 -","- C30 H18 B2 Cl2 N2 O2 -","- C120 H72 B8 Cl8 N8 O8 -","4","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.1225","0.0747","","","0.1931","0.2238","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234042","10.9289","0.0005","11.3491","0.0005","12.0394","0.0006","64.416","0.005","64.811","0.005","84.204","0.004","1212.51","0.13","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","2,3,7,8-tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene","","- C30 H16 B2 F4 N2 O2 -","- C30 H16 B2 F4 N2 O2 -","- C60 H32 B4 F8 N4 O4 -","2","1","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","","0.7107","MoKα","","0.0624","0.0432","","","0.1085","0.1209","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234043","7.9127","0.0004","9.325","0.0004","9.806","0.0004","92.99","0.02","101.3","0.01","113.32","0.01","644.76","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4,8-bis(8-oxyquinolinato)-4,8-Dihydro-p-diborino[2,3-b:5,6-b']dithiophene","","- C26 H16 B2 N2 O2 S2 -","- C26 H16 B2 N2 O2 S2 -","- C26 H16 B2 N2 O2 S2 -","1","0.5","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","x-ray","0.71073","MoKα","","0.0803","0.0598","","","0.1795","0.1889","","","","","","1.122","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234044","19.3536","0.0002","12.1881","0.0002","20.5126","0.0003","90","","93.794","0.001","90","","4827.98","0.12","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-(8-oxyquinolinato)-phenoxaborin","","- C23 H16 B Cl6 N O2 -","- C23 H16 B Cl6 N O2 -","- C184 H128 B8 Cl48 N8 O16 -","8","2","","Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak","Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices","Journal of Materials Chemistry C","2015","3","","1354","1364","10.1039/C4TC02350A","","","0.7107","MoKα","","0.0713","0.0429","","","0.1015","0.1167","","","","","","1.007","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234045","15.9296","0.0017","8.569","0.0009","12.7261","0.0014","90","","111.355","0.001","90","","1617.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0641","0.0356","","","0.0618","0.074","","","","","","1.061","","","","has coordinates","218700","2020-10-21","18:00:00",""
"7234046","15.938","0.0018","8.5815","0.001","12.7618","0.0015","90","","111.243","0.001","90","","1626.9","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0723","0.0369","","","0.0659","0.0804","","","","","","1.013","","","","has coordinates","218701","2020-10-21","18:00:00",""
"7234047","15.947","0.002","8.5931","0.0011","12.7978","0.0017","90","","111.133","0.002","90","","1635.8","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0837","0.0386","","","0.0649","0.0808","","","","","","1.015","","","","has coordinates","218702","2020-10-21","18:00:00",""
"7234048","15.964","0.002","8.608","0.0011","12.8406","0.0017","90","","111.006","0.002","90","","1647.3","0.4","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0967","0.0415","","","0.0749","0.0962","","","","","","1.025","","","","has coordinates","218703","2020-10-21","18:00:00",""
"7234049","15.975","0.003","8.6198","0.0015","12.885","0.002","90","","110.882","0.002","90","","1657.7","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(CN)[N(CN)2]","","","- C23 H16 Cu N4 S16 -","- C23 H16 Cu N4 S16 -","- C46 H32 Cu2 N8 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.1008","0.0429","","","0.0746","0.0927","","","","","","0.973","","","","has coordinates","218704","2020-10-21","18:00:00",""
"7234050","16.3427","0.001","8.3968","0.0005","12.8302","0.0008","90","","111.229","0.001","90","","1641.17","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0239","0.0223","","","0.064","0.0645","","","","","","1.099","","","","has coordinates","218705","2020-10-21","18:00:00",""
"7234051","16.3129","0.0011","8.4112","0.0006","12.9105","0.0009","90","","111.028","0.001","90","","1653.5","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0329","0.0302","","","0.0787","0.0872","","","","","","1.117","","","","has coordinates,has disorder","218706","2020-10-21","18:00:00",""
"7234052","16.2671","0.0011","8.421","0.0005","13.0072","0.0008","90","","110.715","0.001","90","","1666.6","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0329","0.0289","","","0.0697","0.0787","","","","","","1.136","","","","has coordinates,has disorder","218707","2020-10-21","18:00:00",""
"7234053","16.2426","0.001","8.4301","0.0005","13.0764","0.0008","90","","110.455","0.001","90","","1677.61","0.18","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0398","0.0338","","","0.0798","0.089","","","","","","1.119","","","","has coordinates,has disorder","218708","2020-10-21","18:00:00",""
"7234054","16.2397","0.0012","8.4425","0.0006","13.1293","0.0009","90","","110.276","0.001","90","","1688.5","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(ET)2Cu(NCS)2","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0506","0.0423","","","0.1062","0.1105","","","","","","1.061","","","","has coordinates,has disorder","218709","2020-10-21","18:00:00",""
"7234055","12.8965","0.0012","29.651","0.003","8.4826","0.0008","90","","90","","90","","3243.7","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0437","0.0418","","","0.0975","0.0984","","","","","","1.179","","","","has coordinates,has disorder","218710","2020-10-21","18:00:00",""
"7234056","12.8991","0.0012","29.754","0.003","8.5025","0.0008","90","","90","","90","","3263.3","0.5","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0458","0.0427","","","0.1021","0.1034","","","","","","1.174","","","","has coordinates,has disorder","218711","2020-10-21","18:00:00",""
"7234057","12.9117","0.0012","29.845","0.003","8.5178","0.0008","90","","90","","90","","3282.3","0.5","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0477","0.043","","","0.1045","0.1066","","","","","","1.14","","","","has coordinates,has disorder","218712","2020-10-21","18:00:00",""
"7234058","12.9342","0.0013","29.937","0.003","8.5325","0.0008","90","","90","","90","","3303.9","0.6","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.051","0.0446","","","0.1061","0.1089","","","","","","1.117","","","","has coordinates,has disorder","218713","2020-10-21","18:00:00",""
"7234059","12.9653","0.0013","30.028","0.003","8.5444","0.0009","90","","90","","90","","3326.5","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Br","","","- C22 H16 Br Cu N3 S16 -","- C22 H16 Br Cu N3 S16 -","- C88 H64 Br4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0548","0.0463","","","0.1108","0.1148","","","","","","1.077","","","","has coordinates,has disorder","218714","2020-10-21","18:00:00",""
"7234060","12.8852","0.0007","29.5759","0.0017","8.4161","0.0005","90","","90","","90","","3207.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0411","0.0394","","","0.1178","0.1196","","","","","","1.059","","","","has coordinates","218715","2020-10-21","18:00:00",""
"7234061","12.8917","0.0007","29.6686","0.0017","8.4335","0.0005","90","","90","","90","","3225.6","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0444","0.0422","","","0.128","0.1307","","","","","","1.071","","","","has coordinates,has disorder","218716","2020-10-21","18:00:00",""
"7234062","12.9062","0.0007","29.7595","0.0016","8.4509","0.0005","90","","90","","90","","3245.8","0.3","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0452","0.042","","","0.1258","0.1303","","","","","","1.049","","","","has coordinates,has disorder","218717","2020-10-21","18:00:00",""
"7234063","12.9262","0.0008","29.848","0.0018","8.4661","0.0005","90","","90","","90","","3266.4","0.3","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0481","0.0436","","","0.1297","0.1359","","","","","","1.042","","","","has coordinates,has disorder","218718","2020-10-21","18:00:00",""
"7234064","12.955","0.0008","29.9368","0.0018","8.4811","0.0005","90","","90","","90","","3289.2","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(ET)2Cu[N(CN)2]Cl","","","- C22 H16 Cl Cu N3 S16 -","- C22 H16 Cl Cu N3 S16 -","- C88 H64 Cl4 Cu4 N12 S64 -","4","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0523","0.0458","","","0.138","0.1461","","","","","","1.067","","","","has coordinates,has disorder","218719","2020-10-21","18:00:00",""
"7234065","16.2595","0.001","8.4332","0.0005","12.7668","0.0008","90","","109.091","0.001","90","","1654.3","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0158","0.0152","","","0.038","0.0383","","","","","","1.147","","","","has coordinates","218720","2020-10-21","18:00:00",""
"7234066","16.2944","0.001","8.4439","0.0005","12.7917","0.0008","90","","108.93","0.001","90","","1664.8","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0165","0.0155","","","0.0388","0.0396","","","","","","1.08","","","","has coordinates","218721","2020-10-21","18:00:00",""
"7234067","16.3364","0.0011","8.4593","0.0005","12.813","0.0008","90","","108.773","0.001","90","","1676.49","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0241","0.0221","","","0.0533","0.0552","","","","","","1.083","","","","has coordinates","218722","2020-10-21","18:00:00",""
"7234068","16.3793","0.0011","8.4773","0.0006","12.836","0.0009","90","","108.624","0.001","90","","1689","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0305","0.0272","","","0.0622","0.0659","","","","","","1.061","","","","has coordinates","218723","2020-10-21","18:00:00",""
"7234069","16.4227","0.0011","8.4972","0.0006","12.8688","0.0009","90","","108.493","0.001","90","","1703.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)2I3","","","- C20 H16 I3 S16 -","- C20 H16 I3 S16 -","- C40 H32 I6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0368","0.0317","","","0.0722","0.0777","","","","","","1.054","","","","has coordinates","218724","2020-10-21","18:00:00",""
"7234070","15.9984","0.0012","8.5499","0.0006","12.4594","0.0009","90","","109.846","0.001","90","","1603","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0198","0.0197","","","0.0478","0.0479","","","","","","1.13","","","","has coordinates","218725","2020-10-21","18:00:00",""
"7234071","16.0164","0.0011","8.5758","0.0006","12.4828","0.0009","90","","109.747","0.001","90","","1613.7","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0182","0.018","","","0.0457","0.0459","","","","","","1.118","","","","has coordinates","218726","2020-10-21","18:00:00",""
"7234072","16.0283","0.0011","8.5985","0.0006","12.5042","0.0008","90","","109.62","0.001","90","","1623.27","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0177","0.0173","","","0.0445","0.0447","","","","","","1.105","","","","has coordinates","218727","2020-10-21","18:00:00",""
"7234073","16.0442","0.001","8.6241","0.0006","12.5341","0.0008","90","","109.452","0.001","90","","1635.31","0.19","250","2","250","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0183","0.0175","","","0.0453","0.0457","","","","","","1.074","","","","has coordinates","218728","2020-10-21","18:00:00",""
"7234074","16.0579","0.0012","8.6445","0.0006","12.5766","0.0009","90","","109.254","0.001","90","","1648.1","0.2","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate","bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate","","- C22 H18 Ag N2 O S16 -","- C22 H16 Ag N2 O S16 -","- C44 H32 Ag2 N4 O2 S32 -","2","1","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0215","0.0203","","","0.052","0.0528","","","","","","1.034","","","","has coordinates","218729","2020-10-21","18:00:00",""
"7234075","16.075","0.002","8.5801","0.0011","13.2856","0.0017","90","","114.772","0.001","90","","1663.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0302","0.0298","","","0.0839","0.084","","","","","","1.31","","","","has coordinates","218730","2020-10-21","18:00:00",""
"7234076","16.0598","0.0018","8.5797","0.001","13.2802","0.0015","90","","114.516","0.001","90","","1664.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0363","0.0358","","","0.0969","0.0971","","","","","","1.307","","","","has coordinates","218731","2020-10-21","18:00:00",""
"7234077","16.0681","0.0018","8.5852","0.001","13.307","0.0015","90","","114.2","0.001","90","","1674.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0383","0.0376","","","0.0989","0.0992","","","","","","1.223","","","","has coordinates","218732","2020-10-21","18:00:00",""
"7234078","16.082","0.002","8.5906","0.0011","13.3532","0.0018","90","","113.794","0.001","90","","1688","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0298","0.0277","","","0.0737","0.0748","","","","","","1.193","","","","has coordinates,has disorder","218733","2020-10-21","18:00:00",""
"7234079","16.08","0.002","8.5837","0.0011","13.3946","0.0017","90","","113.349","0.001","90","","1697.4","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(ethylenedithio)tetrathiafulvalene copper(I) cyanide","catena(bis(bis(Ethylenedithio)tetrathiafulvalene) tris(μ2-cyano)-di-copper)","","- C23 H16 Cu2 N3 S16 -","- C23 H16 Cu2 N3 S16 -","- C46 H32 Cu4 N6 S32 -","2","0.5","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida","Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator","Journal of Materials Chemistry C","2015","3","","1378","1388","10.1039/C4TC01701C","","","0.71073","MoKα","","0.0304","0.0275","","","0.0702","0.0724","","","","","","1.109","","","","has coordinates,has disorder","218734","2020-10-21","18:00:00",""
"7234080","11.3178","0.001","21.3745","0.0018","21.9731","0.0018","70.045","0.004","76.206","0.005","88.942","0.005","4840.8","0.7","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H63 N3 O6 -","- C57 H63 N3 O6 -","- C228 H252 N12 O24 -","4","2","","Michael Giese; Tim Krappitz; Ronald Y. Dong; Carl A. Michal; Wadood Y. Hamad; Brian O. Patrick; Mark J. MacLachlan","Tuning the photonic properties of chiral nematic mesoporous organosilica with hydrogen-bonded liquid-crystalline assemblies","Journal of Materials Chemistry C","2015","3","","1537","1545","10.1039/C4TC02602K","","","0.71073","MoKα","","0.0855","0.052","","","0.1239","0.1429","","","","","","1.013","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234081","12.4651","0.0011","14.1037","0.0012","24.879","0.002","90","","98.502","0.002","90","","4325.8","0.6","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 N9 O6 -","- C48 H51 N9 O6 -","- C192 H204 N36 O24 -","4","1","","Michael Giese; Tim Krappitz; Ronald Y. Dong; Carl A. Michal; Wadood Y. Hamad; Brian O. Patrick; Mark J. MacLachlan","Tuning the photonic properties of chiral nematic mesoporous organosilica with hydrogen-bonded liquid-crystalline assemblies","Journal of Materials Chemistry C","2015","3","","1537","1545","10.1039/C4TC02602K","","","0.71073","MoKα","","0.0575","0.0414","","","0.1058","0.1171","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234082","4.557","0.0005","18.5706","0.0018","18.986","0.003","90","","90","","90","","1606.7","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","BNQ-Me","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0859","","","","0.1917","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234083","12.2447","0.0003","4.98276","0.00009","15.1193","0.0003","90","","93.2547","0.001","90","","920.98","0.03","270","","270","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","BNQ-Et","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","0.5","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0638","","","","0.1527","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234084","29.3578","0.0007","4.3053","0.00012","18.6433","0.0005","90","","118.437","0.0013","90","","2072.08","0.1","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BNQ-iPr","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","0.5","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0413","","","","0.0904","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234085","23.0134","0.0005","16.386","0.0003","15.4408","0.0003","90","","119.532","0.0009","90","","5066.2","0.18","272","","272","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BNQ-Cy","","","- C32 H32 O4 -","- C32 H32 O4 -","- C256 H256 O32 -","8","1","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0419","","","","0.102","","","","","","1.24","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234086","7.5919","0.0018","13.551","0.003","18.32","0.004","89.808","0.006","87.902","0.006","81.114","0.006","1860.8","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","- C80 H104 N8 Si4 -","2","1","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.099","0.0649","","","0.153","0.1716","","","","","","1.011","","","","has coordinates,has disorder","218743","2020-10-21","18:00:00",""
"7234087","33.88","0.006","15.837","0.003","14.074","0.002","90","","100.068","0.004","90","","7435","2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N4 Si2 -","- C40 H50 N4 Si2 -","- C320 H400 N32 Si16 -","8","1","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.1183","0.0785","","","0.167","0.189","","","","","","1.133","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234088","18.845","0.002","13.5519","0.0013","16.4737","0.0018","90","","107.673","0.003","90","","4008.6","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DHTA-F2 from solution (room temperature)","","","- C40 H50 F2 N4 Si2 -","- C40 H50 F2 N4 Si2 -","- C160 H200 F8 N16 Si8 -","4","1","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.1598","0.0839","","","0.258","0.3194","","","","","","1.031","","","","has coordinates,has disorder","218745","2020-10-21","18:00:00",""
"7234089","7.7626","0.0009","29.864","0.004","34.922","0.005","90","","95.412","0.003","90","","8059.6","1.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DHTA-H2 from film","","","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","- C320 H416 N32 Si16 -","8","2","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.2405","0.1533","","","0.3734","0.405","","","","","","2.057","","","","has coordinates","218746","2020-10-21","18:00:00",""
"7234090","16.4266","0.0017","39.893","0.004","36.045","0.004","90","","99.223","0.003","90","","23315","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DHTA-F2 from solution (200 K)","","","- C40 H50 F2 N4 Si2 -","- C40 H50 F2 N4 Si2 -","- C960 H1200 F48 N96 Si48 -","24","6","","Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz","N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors","Journal of Materials Chemistry C","2015","3","","1604","1609","10.1039/C4TC02426E","","","0.71073","MoKα","","0.1768","0.0817","","","0.178","0.2357","","","","","","1.009","","","","has coordinates","218747","2020-10-21","18:00:00",""
"7234091","9.928","0.0016","17.328","0.004","11.79","0.003","90","","95.749","0.016","90","","2018.1","0.8","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O2 Pt -","- C25 H22 N2 O2 Pt -","- C100 H88 N8 O8 Pt4 -","4","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0973","0.0442","","","0.108","0.1289","","","","","","1.245","","","","has coordinates","218757","2020-10-21","18:00:00",""
"7234092","12.228","0.003","13.642","0.003","16.074","0.0016","90","","98.842","0.015","90","","2649.5","0.9","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O2 Pt -","- C30 H32 N2 O2 Pt -","- C120 H128 N8 O8 Pt4 -","4","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0417","0.0234","","","0.0378","0.0427","","","","","","1.111","","","","has coordinates","218758","2020-10-21","18:00:00",""
"7234093","40.894","0.006","40.894","0.006","9.173","0.0018","90","","90","","120","","13285","4","198","","198","","","","","","","","see text","5","R -3 :H","-R 3","148","","","","- C34 H24 N2 O2 Pt -","- C34 H24 N2 O2 Pt -","- C612 H432 N36 O36 Pt18 -","18","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0372","0.0285","","","0.0653","0.0678","","","","","","1.144","","","","has coordinates","218759","2020-10-21","18:00:00",""
"7234094","12.079","0.0015","12.265","0.001","13.031","0.0012","71.096","0.005","89.24","0.009","66.502","0.008","1659.9","0.3","198","","198","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H36 N2 O2 Pt -","- C40 H36 N2 O2 Pt -","- C80 H72 N4 O4 Pt2 -","2","1","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.0414","0.0266","","","0.0457","0.0487","","","","","","1.026","","","","has coordinates","218760","2020-10-21","18:00:00",""
"7234095","10.545","0.003","13.434","0.002","25.06","0.0019","104.184","0.012","91.124","0.011","90.253","0.015","3441","1.1","198","","198","","","","","","","","see text","5","P -1","-P 1","2","","","","- C41 H38 N2 O2 Pt -","- C41 H38 N2 O2 Pt -","- C164 H152 N8 O8 Pt4 -","4","2","","Alexander Tronnier; Ute Heinemeyer; Stefan Metz; Gerhard Wagenblast; Ingo Muenster; Thomas Strassner","Heteroleptic platinum(ii) NHC complexes with a C/C* cyclometalated ligand - synthesis, structure and photophysics","Journal of Materials Chemistry C","2015","3","","1680","1693","10.1039/C4TC02575J","","x-ray","0.71073","MoKα","","0.1509","0.0557","","","0.1235","0.1613","","","","","","1.21","","","","has coordinates","218761","2020-10-21","18:00:00",""
"7234096","26.117","0.005","18.276","0.004","7.8689","0.0016","90","","103.67","0.03","90","","3649.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H30 Eu N3 O14 -","- C43 H30 Eu N3 O14 -","- C172 H120 Eu4 N12 O56 -","4","0.5","","Junqing Zhang; Hongfeng Li; Peng Chen; Wenbin Sun; Ting Gao; Pengfei Yan","A new strategy for achieving white-light emission of lanthanide complexes: effective control of energy transfer from blue-emissive fluorophore to Eu(iii) centres","Journal of Materials Chemistry C","2015","3","","1799","1806","10.1039/C4TC02512A","","","0.71073","MoKα","","0.0457","0.0347","","","0.0704","0.076","","","","","","1.078","","","","has coordinates,has disorder","288257","2023-12-12","15:56:44",""
"7234097","8.0747","0.0002","18.65","0.0007","26.4469","0.001","90","","94.391","0.003","90","","3971","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Eu N3 O14 -","- C45 H34 Eu N3 O14 -","- C180 H136 Eu4 N12 O56 -","4","1","","Junqing Zhang; Hongfeng Li; Peng Chen; Wenbin Sun; Ting Gao; Pengfei Yan","A new strategy for achieving white-light emission of lanthanide complexes: effective control of energy transfer from blue-emissive fluorophore to Eu(iii) centres","Journal of Materials Chemistry C","2015","3","","1799","1806","10.1039/C4TC02512A","","","0.71073","MoKα","","0.1274","0.0925","","","0.2521","0.2979","","","","","","1.094","","","","has coordinates","288257","2023-12-12","15:56:44",""
"7234098","52.788","0.0017","12.4054","0.0003","25.0467","0.0008","90","","113.292","0.004","90","","15065.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H69 Eu O8 P2 -","- C94 H69 Eu O8 P2 -","- C752 H552 Eu8 O64 P16 -","8","1","","Hui Xu; Jianzhe Wang; Ying Wei; Guohua Xie; Qin Xue; Zhaopeng Deng; Wei Huang","A unique white electroluminescent one-dimensional europium(iii) coordination polymer","Journal of Materials Chemistry C","2015","3","","1893","1903","10.1039/C4TC02604G","","","0.71073","MoKα","","0.062","0.0367","","","0.0771","0.0853","","","","","","1.056","","","","has coordinates","218763","2020-10-21","18:00:00",""
"7234099","7.056","0.002","7.855","0.0019","14.793","0.005","71.82","0.05","76.48","0.04","73.25","0.04","736.5","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","C4BTBT-F2TCNQ","2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane","","- C34 H26 F2 N4 S2 -","- C34 H26 F2 N4 S2 -","- C34 H26 F2 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.079","","","","0.1111","","","","","","1.458","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234100","7.0124","0.0005","8.1017","0.0005","14.6513","0.0014","72.11","0.013","75.808","0.013","72.519","0.013","744.75","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","C4BTBT-F4TCNQ","2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane","","- C34 H24 F4 N4 S2 -","- C34 H24 F4 N4 S2 -","- C34 H24 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0702","","","","0.1069","","","","","","1.872","","","","has coordinates","218767","2020-10-21","18:00:00",""
"7234101","7.1052","0.001","7.7229","0.0008","15.021","0.0018","70.97","0.014","76.944","0.016","74.031","0.015","740.67","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","C4BTBT-TCNQ","2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 7,7,8,8-tetracyanoquinodimethane","","- C34 H28 N4 S2 -","- C34 H28 N4 S2 -","- C34 H28 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0695","","","","0.2083","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234102","7.1554","0.0007","7.8669","0.0011","17.71","0.003","86.35","0.011","81.334","0.01","72.909","0.009","941.8","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","C8BTBT-F2TCNQ","","- C42 H42 F2 N4 S2 -","- C42 H40 F2 N4 S2 -","- C42 H40 F2 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0637","","","","0.1574","","","","","","0.994","","","","has coordinates","218769","2020-10-21","18:00:00",""
"7234103","7.103","0.0005","8.0777","0.0008","17.592","0.002","85.9","0.009","82.02","0.008","72.443","0.008","952.55","0.16","293","","293","","","","","","","","","5","P -1","-P 1","2","","C8BTBT-F4TCNQ","","- C42 H40 F4 N4 S2 -","- C42 H40 F4 N4 S2 -","- C42 H40 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0522","","","","0.1065","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234104","7.1829","0.0007","7.7361","0.0009","17.946","0.002","86.554","0.009","80.529","0.009","73.518","0.007","943.11","0.18","293","","293","","","","","","","","","4","P -1","-P 1","2","C8BTBT-TCNQ","2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophenes 7,7,8,8-tetracyanoquinodimethane","","- C42 H44 N4 S2 -","- C42 H44 N4 S2 -","- C42 H44 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0631","","","","0.1948","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234105","7.1561","0.0017","7.8468","0.0017","21.207","0.007","82.91","0.02","87.73","0.02","72.833","0.019","1129.1","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","C12BTBT-F2TCNQ","","- C50 H58 F2 N4 S2 -","- C50 H56 F4 N4 S2 -","- C50 H56 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.1043","","","","0.1548","","","","","","1.752","","","","has coordinates","218772","2020-10-21","18:00:00",""
"7234106","7.096","0.002","8.053","0.002","21.148","0.007","83.2","0.03","86.85","0.03","72.5","0.03","1144.2","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","C12BTBT-F4TCNQ","","- C50 H56 F4 N4 S2 -","- C50 H56 F4 N4 S2 -","- C50 H56 F4 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0917","","","","0.1695","","","","","","1.479","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234107","7.2075","0.0009","7.7416","0.0009","21.258","0.003","82.579","0.009","88.358","0.01","73.252","0.007","1126.3","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","C12BTBT-TCNQ","","- C50 H60 N4 S2 -","- C50 H60 N4 S2 -","- C50 H60 N4 S2 -","1","0.5","","Jun'ya Tsutsumi; Satoshi Matsuoka; Satoru Inoue; Hiromi Minemawari; Toshikazu Yamada; Tatsuo Hasegawa","N-type field-effect transistors based on layered crystalline donor-acceptor semiconductors with dialkylated benzothienobenzothiophenes as electron donors","Journal of Materials Chemistry C","2015","3","","1976","1981","10.1039/C4TC02481H","","","0.71075","MoKα","","","0.0647","","","","0.1798","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234108","10.4904","0.0016","15.644","0.002","18.204","0.003","90.239","0.002","90.327","0.002","95.162","0.002","2975.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 Cl2 N4 O2 Zn -","- C66 H60 Cl2 N4 O2 Zn -","- C132 H120 Cl4 N8 O4 Zn2 -","2","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71073","MoKα","","0.1141","0.0722","","","0.1642","0.1945","","","","","","1.138","","","","has coordinates,has disorder","218775","2020-10-21","18:00:00",""
"7234109","10.454","0.0019","15.812","0.003","18.477","0.003","90.856","0.002","91.575","0.002","96.166","0.002","3034.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 Br2 Cu N4 O2 -","- C66 H60 Br2 Cu N4 O2 -","- C132 H120 Br4 Cu2 N8 O4 -","2","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71073","MoKα","","0.095","0.0502","","","0.1353","0.1555","","","","","","0.879","","","","has coordinates,has disorder","218776","2020-10-21","18:00:00",""
"7234110","11.001","0.005","12.498","0.005","19.746","0.005","90","0.005","94.205","0.005","90","0.005","2707.6","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33.75 H33 N3 O -","- C35 H33 N3 O -","- C140 H132 N12 O4 -","4","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71069","MoKα","","0.1153","0.0739","","","0.2227","0.2542","","","","","","1.54","","","","has coordinates","218777","2020-10-21","18:00:00",""
"7234111","24.405","0.018","7.319","0.005","11.824","0.009","90","","101.249","0.009","90","","2071","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","287154","2023-10-27","23:48:05",""
"7234112","13.74","0.005","12.487","0.005","15.071","0.006","90","","100.349","0.005","90","","2543.7","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C132 H120 N8 -","4","1","","Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics","Journal of Materials Chemistry C","2015","3","","1994","2002","10.1039/C4TC02616K","","","0.71073","MoKα","","0.0795","0.05","","","0.1498","0.1742","","","","","","1.113","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234113","11.9877","0.0003","12.8636","0.0005","15.9294","0.0006","86.856","0.003","73.942","0.003","83.926","0.003","2346.46","0.14","100","0.18","100","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N3 O9 Pr -","- C54 H48 N3 O9 Pr -","- C108 H96 N6 O18 Pr2 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","1.54178","CuKα","","0.0361","0.0331","","","0.0864","0.0888","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234114","11.973","0.0002","12.8879","0.0005","15.9094","0.0006","87.03","0.007","73.854","0.006","83.803","0.007","2343.71","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N3 Nd O9 -","- C54 H48 N3 Nd O9 -","- C108 H96 N6 Nd2 O18 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","0.71073","MoKα","","0.0487","0.0437","","","0.1121","0.1169","","","","","","1.116","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234115","11.9586","0.0003","12.8019","0.0004","15.9246","0.0005","87.217","0.003","74.158","0.002","83.99","0.002","2331.94","0.12","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N3 O9 Sm -","- C54 H48 N3 O9 Sm -","- C108 H96 N6 O18 Sm2 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","1.54178","CuKα","","0.0406","0.0341","","","0.0866","0.0905","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234116","11.9567","0.0005","12.856","0.0005","15.8977","0.0006","87.548","0.003","74.215","0.004","83.653","0.003","2336.95","0.17","100","0.15","100","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Eu N3 O9 -","- C54 H48 Eu N3 O9 -","- C108 H96 Eu2 N6 O18 -","2","1","","Wentao Xu; Youfu Zhou; Decai Huang; Mingyi Su; Kun Wang; Ming Xiang; Maochun Hong","Luminescent sensing profiles based on anion-responsive lanthanide(iii) quinolinecarboxylate materials: solid-state structures, photophysical properties, and anionic species recognition","Journal of Materials Chemistry C","2015","3","","2003","2015","10.1039/C4TC02369B","","","1.54178","CuKα","","0.056","0.0504","","","0.1374","0.1406","","","","","","1.109","","","","has coordinates","218783","2020-10-21","18:00:00",""
"7234117","11.618","0.003","12.524","0.003","12.655","0.003","89.994","0.013","83.387","0.015","66.227","0.013","1671.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 F3 N O2 Pt -","- C17 H14 F3 N O2 Pt -","- C68 H56 F12 N4 O8 Pt4 -","4","2","","Yang Xing; Chun Liu; Xinlong Song; Jiuyan Li","Photostable trifluoromethyl-substituted platinum(ii) emitters for continuous monitoring of molecular oxygen","Journal of Materials Chemistry C","2015","3","","2166","2174","10.1039/C4TC02915A","","","0.71073","MoKα","","0.0985","0.0489","","","0.1077","0.1269","","","","","","0.925","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7234118","23.2937","0.001","11.9955","0.0005","13.1606","0.0005","90","","100.226","0.002","90","","3618.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F3 N O3 Pt -","- C18 H16 F3 N O3 Pt -","- C144 H128 F24 N8 O24 Pt8 -","8","2","","Yang Xing; Chun Liu; Xinlong Song; Jiuyan Li","Photostable trifluoromethyl-substituted platinum(ii) emitters for continuous monitoring of molecular oxygen","Journal of Materials Chemistry C","2015","3","","2166","2174","10.1039/C4TC02915A","","","0.71073","MoKα","","0.0416","0.0299","","","0.0916","0.0998","","","","","","0.745","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7234119","11.702","0.0006","12.4402","0.0007","12.7534","0.0007","89.883","0.003","82.15","0.003","65.05","0.003","1664.35","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 F4 N O2 Pt -","- C17 H13 F4 N O2 Pt -","- C68 H52 F16 N4 O8 Pt4 -","4","2","","Yang Xing; Chun Liu; Xinlong Song; Jiuyan Li","Photostable trifluoromethyl-substituted platinum(ii) emitters for continuous monitoring of molecular oxygen","Journal of Materials Chemistry C","2015","3","","2166","2174","10.1039/C4TC02915A","","","0.71073","MoKα","","0.041","0.0342","","","0.0885","0.0913","","","","","","1.059","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7234120","31.521","0.003","31.521","0.003","7.118","0.002","90","","90","","120","","6124.8","1.9","291","2","291","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C68 H82 Cl2 N6 O7 Pt2 -","- C68 H82 Cl2 N6 O7 Pt2 -","- C204 H246 Cl6 N18 O21 Pt6 -","3","0.5","","Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You","Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes","Journal of Materials Chemistry C","2015","3","","2350","2357","10.1039/C4TC02800G","","","0.71073","MoKα","","0.069","0.0632","","","0.1725","0.1741","","","","","","1.048","","","","has coordinates","218785","2020-10-21","18:00:00",""
"7234121","9.895","0.002","11.075","0.002","15.169","0.003","71.726","0.003","83.896","0.004","85.526","0.004","1567.8","0.5","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C33 H29.5 F3 N3 O3 Pt S -","- C33 H29.5 F3 N3 O3 Pt S -","- C66 H59 F6 N6 O6 Pt2 S2 -","2","2","","Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You","Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes","Journal of Materials Chemistry C","2015","3","","2350","2357","10.1039/C4TC02800G","","","0.71073","MoKα","","0.0755","0.0645","","","0.1658","0.1734","","","","","","1.054","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7234122","17.1066","0.0013","9.3515","0.0007","21.8195","0.0016","90","","107.637","0.001","90","","3326.4","0.4","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C52 B6 Co F3 N7 O2 -","- C52 B6 Co F3 N7 O2 -","- C208 B24 Co4 F12 N28 O8 -","4","1","","Norbani Abdullah; Nur Linahafizza Md Noor; Abdul Rahman Nordin; Malcolm A. Halcrow; Douglas R. MacFarlane; Manoj A. Lazar; Jennifer M. Pringle; Duncan W. Bruce; Bertrand Donnio; Benoit Heinrich","Spin-crossover, mesomorphic and thermoelectrical properties of cobalt(ii) complexes with alkylated N3-Schiff bases","Journal of Materials Chemistry C","2015","3","","2491","2499","10.1039/C4TC02923B","","","0.71073","MoKα","","0.3321","0.2929","","","0.6757","0.6942","","","","","","5.398","","","","has coordinates","218809","2020-10-21","18:00:00",""
"7234123","14.3538","0.001","7.6478","0.0005","18.9808","0.0013","90","","101.661","0.001","90","","2040.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 Pt -","- C26 H21 N O2 Pt -","- C104 H84 N4 O8 Pt4 -","4","1","","Hui Li; Wei Yuan; Xingdong Wang; Hongmei Zhan; Zhiyuan Xie; Yanxiang Cheng","Enhancement of luminescence performance from the alteration of stacking patterns of Pt(ii) dendrimers","Journal of Materials Chemistry C","2015","3","","2744","2750","10.1039/C4TC02694B","","","0.71073","MoKα","","0.0433","0.028","","","0.0547","0.0591","","","","","","1.013","","","","has coordinates","218810","2020-10-21","18:00:00",""
"7234124","12.5676","0.0008","29.5883","0.0019","13.6576","0.0009","90","","99.092","0.001","90","","5014.8","0.6","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H66 Cl2 N2 O2 Pt -","- C57 H66 Cl2 N2 O2 Pt -","- C228 H264 Cl8 N8 O8 Pt4 -","4","1","","Hui Li; Wei Yuan; Xingdong Wang; Hongmei Zhan; Zhiyuan Xie; Yanxiang Cheng","Enhancement of luminescence performance from the alteration of stacking patterns of Pt(ii) dendrimers","Journal of Materials Chemistry C","2015","3","","2744","2750","10.1039/C4TC02694B","","","0.71073","MoKα","","0.0798","0.0565","","","0.1615","0.1742","","","","","","1","","","","has coordinates","218810","2020-10-21","18:00:00",""
"7234125","10.1108","0.0004","10.6323","0.0004","20.9287","0.0008","94.021","0.001","99.317","0.001","97.348","0.001","2192.44","0.15","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 N2 O2 Pt -","- C52 H56 N2 O2 Pt -","- C104 H112 N4 O4 Pt2 -","2","1","","Hui Li; Wei Yuan; Xingdong Wang; Hongmei Zhan; Zhiyuan Xie; Yanxiang Cheng","Enhancement of luminescence performance from the alteration of stacking patterns of Pt(ii) dendrimers","Journal of Materials Chemistry C","2015","3","","2744","2750","10.1039/C4TC02694B","","","0.71073","MoKα","","0.0291","0.0252","","","0.0622","0.0642","","","","","","1.077","","","","has coordinates,has disorder","218810","2020-10-21","18:00:00",""
"7234126","9.8704","0.001","9.8969","0.0012","15.68","0.0012","90.723","0.008","104.683","0.008","116.975","0.011","1306","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 N2 S -","- C35 H26 N2 S -","- C70 H52 N4 S2 -","2","1","","Gonghe Zhang; Jingbo Sun; Pengchong Xue; Zhenqi Zhang; Peng Gong; Jiang Peng; Ran Lu","Phenothiazine modified triphenylacrylonitrile derivates: AIE and mechanochromism tuned by molecular conformation","Journal of Materials Chemistry C","2015","3","","2925","2932","10.1039/C4TC02925A","","","0.71073","MoKα","","0.0621","0.0447","","","0.1064","0.1172","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234127","14.1216","0.0006","9.9608","0.0006","19.0308","0.0008","90","","107.315","0.004","90","","2555.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H22 N2 S -","- C33 H22 N2 S -","- C132 H88 N8 S4 -","4","1","","Gonghe Zhang; Jingbo Sun; Pengchong Xue; Zhenqi Zhang; Peng Gong; Jiang Peng; Ran Lu","Phenothiazine modified triphenylacrylonitrile derivates: AIE and mechanochromism tuned by molecular conformation","Journal of Materials Chemistry C","2015","3","","2925","2932","10.1039/C4TC02925A","","","0.71073","MoKα","","0.1226","0.0598","","","0.129","0.1597","","","","","","0.977","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234128","9.1766","0.0009","9.249","0.001","11.8304","0.0013","109.989","0.01","96.898","0.009","99.154","0.009","914.97","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F2 N2 S -","- C21 H15 B F2 N2 S -","- C42 H30 B2 F4 N4 S2 -","2","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.0711","0.0443","","","0.0883","0.1113","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234129","11.3993","0.001","12.7664","0.0009","15.0074","0.0017","90","","117.22","0.007","90","","1942.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F2 N2 S -","- C23 H19 B F2 N2 S -","- C92 H76 B4 F8 N8 S4 -","4","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1042","0.052","","","0.1005","0.1249","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234130","15.8955","0.0003","9.83109","0.00015","26.4038","0.0006","90","","90","","90","","4126.12","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 B F2 N3 S -","- C23 H20 B F2 N3 S -","- C184 H160 B8 F16 N24 S8 -","8","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","1.54184","CuKα","","0.0494","0.0407","","","0.1","0.1076","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234131","12.1191","0.0013","14.1236","0.0014","11.9134","0.0011","90","","100.907","0.002","90","","2002.3","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 B F2 N3 O0 S -","- C23 H20 B F2 N3 S -","- C92 H80 B4 F8 N12 S4 -","4","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1039","0.048","","","0.1108","0.1341","","","","","","0.948","","","","has coordinates","218815","2020-10-21","18:00:00",""
"7234132","13.0949","0.0009","12.1529","0.0006","14.5043","0.0009","90","","104.475","0.007","90","","2235","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 B F2 N3 S -","- C25 H24 B F2 N3 S -","- C100 H96 B4 F8 N12 S4 -","4","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1221","0.0542","","","0.101","0.1351","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234133","20.6963","0.0013","8.5511","0.0006","27.318","0.002","90","","106.475","0.007","90","","4636.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 B F2 N4 S -","- C25 H25 B F2 N4 S -","- C200 H200 B8 F16 N32 S8 -","8","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","0.71073","MoKα","","0.1063","0.053","","","0.1005","0.1252","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234134","41.229","0.007","6.9435","0.0011","18.06","0.003","90","","104.645","0.003","90","","5002.1","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 Br2 F18 N2 O4 -","- C20 H4 Br2 F18 N2 O4 -","- C160 H32 Br16 F144 N16 O32 -","8","1","","Ming-Ling Yeh; Szu-Ying Wang; Josue F. Martinez Hardigree; Vitaly Podzorov; Howard E. Katz","Effect of side chain length on film structure and electron mobility of core-unsubstituted pyromellitic diimides and enhanced mobility of the dibrominated core using the optimized side chain","Journal of Materials Chemistry C","2015","3","","3029","3037","10.1039/C4TC02611J","","","0.71073","MoKα","","0.102","0.0562","","","0.1189","0.1376","","","","","","1.009","","","","has coordinates,has disorder","218818","2020-10-21","18:00:00",""
"7234135","11.0759","0.0007","29.6119","0.0013","7.7409","0.0004","90","","122.9","0.005","90","","2131.7","0.2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H21 N O -","- C28 H21 N O -","- C112 H84 N4 O4 -","4","1","","Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang","Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3049","3054","10.1039/C4TC02826K","","","0.71073","MoKα","","0.0578","0.0379","","","0.0703","0.0771","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234136","10.034","0.0003","10.13","0.0003","23.553","0.0006","77.824","0.002","84.358","0.002","65.81","0.003","2134.5","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N O -","- C28 H21 N O -","- C112 H84 N4 O4 -","4","2","","Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang","Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3049","3054","10.1039/C4TC02826K","","","0.71073","MoKα","","0.053","0.0482","","","0.1305","0.1352","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234137","9.9696","0.0001","43.1553","0.0003","10.0811","0.0001","90","","98.764","0.001","90","","4286.66","0.07","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O -","- C28 H21 N O -","- C224 H168 N8 O8 -","8","2","","Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang","Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3049","3054","10.1039/C4TC02826K","","","1.54178","CuKα","","0.0453","0.0432","","","0.1294","0.1322","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234138","12.2686","0.0009","12.647","0.0009","31.172","0.002","90","","90","","90","","4836.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Br Cl2 N -","- C29 H24 Br Cl2 N -","- C232 H192 Br8 Cl16 N8 -","8","1","","Pachaiyappan Rajamalli; Parthasarathy Gandeepan; Min-Jie Huang; Chien-Hong Cheng","Bromo induced reversible distinct color switching of a structurally simple donor-acceptor molecule by vapo, piezo and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3329","3335","10.1039/C5TC00109A","","","0.71073","MoKα","","0.0888","0.0657","","","0.1501","0.1609","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234139","11.1157","0.0003","16.9988","0.0004","11.1207","0.0003","90","","90.112","0.001","90","","2101.29","0.09","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C28 H22 Br N -","- C28 H22 Br N -","- C112 H88 Br4 N4 -","4","2","","Pachaiyappan Rajamalli; Parthasarathy Gandeepan; Min-Jie Huang; Chien-Hong Cheng","Bromo induced reversible distinct color switching of a structurally simple donor-acceptor molecule by vapo, piezo and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3329","3335","10.1039/C5TC00109A","","","0.71073","MoKα","","0.0511","0.0414","","","0.1233","0.1546","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234140","8.6674","0.0004","11.9882","0.0005","28.3475","0.0012","90","","98.2998","0.0011","90","","2914.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 F8 Ir N5 O -","- C33 H20 F8 Ir N5 O -","- C132 H80 F32 Ir4 N20 O4 -","4","1","","Bihai Tong; Hsiao-Yun Ku; I.-Jen Chen; Yun Chi; Hao-Che Kao; Chia-Chi Yeh; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Heteroleptic Ir(iii) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs","Journal of Materials Chemistry C","2015","3","","3460","3471","10.1039/C5TC00163C","","","0.71073","MoKα","","0.0938","0.0601","","","0.1052","0.1156","","","","","","1.181","","","","has coordinates,has disorder","218821","2020-10-21","18:00:00",""
"7234141","18.53","0.0003","12.8977","0.0002","20.1368","0.0004","90","","112.778","0.0009","90","","4437.26","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H31.5 Cl4.5 F6 Ir N5 -","- C45.5 H31.5 Cl4.5 F6 Ir N5 -","- C182 H126 Cl18 F24 Ir4 N20 -","4","1","","Bihai Tong; Hsiao-Yun Ku; I.-Jen Chen; Yun Chi; Hao-Che Kao; Chia-Chi Yeh; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Heteroleptic Ir(iii) phosphors with bis-tridentate chelating architecture for high efficiency OLEDs","Journal of Materials Chemistry C","2015","3","","3460","3471","10.1039/C5TC00163C","","","0.71073","MoKα","","0.0727","0.0446","","","0.1207","0.1353","","","","","","1.069","","","","has coordinates,has disorder","218821","2020-10-21","18:00:00",""
"7234142","18.0718","0.0006","7.8465","0.0003","9.9048","0.0003","90","","90","","90","","1404.5","0.08","128.55","0.1","128.55","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- H2 Mn1.5 Na O8 S1.5 -","- H2 Mn1.5 Na O8 S1.5 -","- H16 Mn12 Na8 O64 S12 -","8","1","","Huan-Cheng Hu; Chun-Shuai Cao; Yang Yang; Peng Cheng; Bin Zhao","A triangular [Mn3] cluster-based ferrimagnet with significant magnetic entropy change","Journal of Materials Chemistry C","2015","3","","3494","3499","10.1039/C4TC02958E","","","0.71073","MoKα","","0.0348","0.0334","","","0.084","0.0858","","","","","","1.082","","","","has coordinates","218824","2020-10-21","18:00:00",""
"7234143","5.0632","0.0016","15.0923","0.0017","8.2579","0.0012","90","","104.839","0.003","90","","610","0.2","291","2","291","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H6 F6 N2 -","- C12 H6 F6 N2 -","- C24 H12 F12 N4 -","2","0.5","","Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo","Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility","Journal of Materials Chemistry C","2015","3","","3694","3701","10.1039/C5TC00073D","","","0.71073","MoKα","","0.0711","0.0468","","","0.1002","0.1019","","","","","","1.049","","","","has coordinates,has disorder","218828","2020-10-21","18:00:00",""
"7234144","15.798","0.002","18.067","0.002","18.657","0.003","83.329","0.002","87.048","0.003","85.597","0.002","5268.6","1.2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 F12 Ir N5 O2 P2 -","- C48 H30 F12 Ir N5 O2 P2 -","- C192 H120 F48 Ir4 N20 O8 P8 -","4","2","","Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo","Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility","Journal of Materials Chemistry C","2015","3","","3694","3701","10.1039/C5TC00073D","","","0.71073","MoKα","","0.0631","0.0598","","","0.1524","0.1526","","","","","","1.024","","","","has coordinates","218828","2020-10-21","18:00:00",""
"7234145","13.6205","0.001","23.0074","0.0017","16.9123","0.0013","90","","98.869","0.001","90","","5236.5","0.7","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 F12 Ir N5 O2 P2 -","- C48 H30 F12 Ir N5 O2 P2 -","- C192 H120 F48 Ir4 N20 O8 P8 -","4","1","","Qiu-Lei Xu; Xiao Liang; Song Zhang; Yi-Ming Jing; Xuan Liu; Guang-Zhao Lu; You-Xuan Zheng; Jing-Lin Zuo","Efficient OLEDs with low efficiency roll-off using iridium complexes possessing good electron mobility","Journal of Materials Chemistry C","2015","3","","3694","3701","10.1039/C5TC00073D","","","0.71073","MoKα","","0.0864","0.0545","","","0.1615","0.184","","","","","","1.116","","","","has coordinates","218828","2020-10-21","18:00:00",""
"7234146","7.156","0.0014","13.963","0.003","14.249","0.003","90","","93.52","0.03","90","","1421.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B F2 N3 -","- C18 H12 B F2 N3 -","- C72 H48 B4 F8 N12 -","4","1","","Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu","Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors","Journal of Materials Chemistry C","2015","3","","3774","3782","10.1039/C4TC02955K","","","0.71073","MoKα","","0.0631","0.0474","","","0.1453","0.1585","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234147","8.2448","0.0013","13.187","0.002","19.061","0.003","100.053","0.014","95.703","0.013","95.546","0.012","2016.7","0.6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 B F2 N5 S2 -","- C42 H26 B F2 N5 S2 -","- C84 H52 B2 F4 N10 S4 -","2","1","","Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu","Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors","Journal of Materials Chemistry C","2015","3","","3774","3782","10.1039/C4TC02955K","","","","","","0.169","","","","","","","","","","","","","","","has coordinates","218832","2020-10-21","18:00:00",""
"7234148","22.4457","0.0017","11.3035","0.0007","20.0181","0.0014","90","","92.623","0.005","90","","5073.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 B F2 N5 -","- C58 H58 B F2 N5 -","- C232 H232 B4 F8 N20 -","4","1","","Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu","Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors","Journal of Materials Chemistry C","2015","3","","3774","3782","10.1039/C4TC02955K","","","1.54178","CuKα","","0.1661","0.1316","","","0.2674","0.28","","","","","","1.191","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234180","12.5072","0.0017","13.89","0.002","15.223","0.002","87.986","0.007","75.655","0.005","71.874","0.005","2432.5","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 N5 O4 S Si -","- C49 H63 N5 O4 S Si -","- C98 H126 N10 O8 S2 Si2 -","2","1","","Yuhui Yang; Jialei Liu; Maolin Zhang; Fenggang Liu; Haoran Wang; Shuhui Bo; Zhen Zhen; Ling Qiu; Xinhou Liu","The important role of the location of the alkoxy group on the thiophene ring in designing efficient organic nonlinear optical materials based on double-donor chromophores","Journal of Materials Chemistry C","2015","3","","3913","3921","10.1039/C5TC00241A","","","0.71073","MoKα","","0.066","0.0545","","","0.1268","0.1358","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234181","6.2311","0.0013","27.413","0.006","26.198","0.006","90","","94.09","0.004","90","","4463.6","1.7","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H57 N5 O3 S Si -","- C46 H57 N5 O3 S Si -","- C184 H228 N20 O12 S4 Si4 -","4","1","","Yuhui Yang; Jialei Liu; Maolin Zhang; Fenggang Liu; Haoran Wang; Shuhui Bo; Zhen Zhen; Ling Qiu; Xinhou Liu","The important role of the location of the alkoxy group on the thiophene ring in designing efficient organic nonlinear optical materials based on double-donor chromophores","Journal of Materials Chemistry C","2015","3","","3913","3921","10.1039/C5TC00241A","","","0.71073","MoKα","","0.0792","0.0598","","","0.1271","0.1376","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234182","8.2621","0.0017","8.9309","0.0018","21.084","0.004","81.69","0.03","85.17","0.03","82.15","0.03","1521.7","0.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C68 H92 N2 O4 -","- C68 H92 N2 O4 -","- C68 H92 N2 O4 -","1","1","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.1278","0.0591","","","0.1381","0.1698","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234183","21.598","0.003","10.1507","0.0006","22.926","0.003","90","","115.388","0.018","90","","4540.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 N2 O4 -","- C52 H60 N2 O4 -","- C208 H240 N8 O16 -","4","1","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.2474","0.1113","","","0.3136","0.4182","","","","","","1.032","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234184","18.0254","0.0006","9.4485","0.0003","18.8799","0.0009","90","","90","","90","","3215.5","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","0.5","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.0802","0.0533","","","0.1101","0.1227","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234185","27.50091","0.00071","4.53269","0.00012","20.80317","0.00047","90","","104.935","0.0017","90","","2505.58","0.11","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","gold(I)-thiophenolate","[Au(SPh)]n","","- C12 H10 Au2 S2 -","- C12 H10 Au2 S2 -","- C96 H80 Au16 S16 -","8","1","","Christophe Lavenn; Larysa Okhrimenko; Nathalie Guillou; Miguel Monge; Gilles Ledoux; Christophe Dujardin; Rodica Chiriac; Alexandra Fateeva; Aude Demessence","A luminescent double helical gold(i)-thiophenolate coordination polymer obtained by hydrothermal synthesis or by thermal solid-state amorphous-to-crystalline isomerization","Journal of Materials Chemistry C","2015","3","","4115","4125","10.1039/C5TC00119F","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.024","3.79","","","","","","","has coordinates","218870","2020-10-21","18:00:00",""
"7234186","7.994","0.003","15.365","0.006","17.559","0.007","79.498","0.004","88.511","0.004","89.775","0.004","2119.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 Cl4 N Si2 -","- C43 H49 Cl4 N Si2 -","- C86 H98 Cl8 N2 Si4 -","2","1","","Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang","Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels","Journal of Materials Chemistry C","2015","3","","4188","4196","10.1039/C4TC02859G","","","0.71073","MoKα","","0.1837","0.0941","","","0.1875","0.2213","","","","","","1.022","","","","has coordinates","218871","2020-10-21","18:00:00",""
"7234187","7.662","0.002","7.788","0.002","17.071","0.005","77.759","0.005","88.811","0.006","83.896","0.006","989.8","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C42 H48 F4 N2 Si2 -","- C42 H48 F4 N2 Si2 -","- C42 H48 F4 N2 Si2 -","1","1","","Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang","Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels","Journal of Materials Chemistry C","2015","3","","4188","4196","10.1039/C4TC02859G","","","0.71073","MoKα","","0.0956","0.0608","","","0.1487","0.1759","","","","","","0.978","","","","has coordinates","218871","2020-10-21","18:00:00",""
"7234188","7.925","0.003","15.284","0.006","17.503","0.006","99.8","0.017","90.499","0.017","90.132","0.015","2089","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cl4 N2 Si2 -","- C42 H48 Cl4 N2 Si2 -","- C84 H96 Cl8 N4 Si4 -","2","1","","Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang","Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels","Journal of Materials Chemistry C","2015","3","","4188","4196","10.1039/C4TC02859G","","","0.71073","MoKα","","0.1969","0.138","","","0.3565","0.3891","","","","","","1.295","","","","has coordinates","218871","2020-10-21","18:00:00",""
"7234189","7.77","0.003","7.311","0.002","11.141","0.004","90","","109.425","0.004","90","","596.9","0.4","103","","103","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N4 -","- C12 H18 N4 -","- C24 H36 N8 -","2","0.5","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.041","0.0372","","","0.0992","0.1017","","","","","","1.19","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234190","14.8107","0.0013","7.9825","0.0005","15.3064","0.0011","90","","91.463","0.001","90","","1809","0.2","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N6 -","- C18 H26 N6 -","- C72 H104 N24 -","4","1","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.0576","0.047","","","0.1117","0.12","","","","","","1.165","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234191","23.414","0.012","7.947","0.003","15.216","0.008","90","","126.073","0.002","90","","2288.4","1.9","103","","103","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N8 -","- C24 H34 N8 -","- C96 H136 N32 -","4","0.5","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.0445","0.0388","","","0.0968","0.1018","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234192","8.347","0.005","13.899","0.009","14.203","0.009","106.524","0.006","95.771","0.006","105.689","0.006","1492.5","1.6","103","","103","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 N10 -","- C30 H42 N10 -","- C60 H84 N20 -","2","1","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.7107","MoKα","","0.0627","0.0479","","","0.1213","0.1336","","","","","","1.173","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234193","7.659","0.005","13.191","0.005","18.976","0.005","77.128","0.005","83.248","0.005","79.8","0.005","1833.3","1.5","103","","103","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 N12 -","- C36 H50 N12 -","- C72 H100 N24 -","2","1","","Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara","Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets","Journal of Materials Chemistry C","2015","3","","4316","4320","10.1039/C4TC02941K","","","0.71069","MoKα","","0.1188","0.0726","","","0.2028","0.2305","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234194","12.68202","0.00001","12.68202","","7.97617","0.00001","90","","90","","90","","1282.84","0.0019","423","","423","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","KMnCrF6","","- Cr2.5 F15 K2.59 Mn2.5 -","- Cr2.5 F15 K2.587 Mn2.5 -","- Cr10 F60 K10.348 Mn10 -","4","0.25","","Christina Drathen; Takeshi Nakagawa; Wilson A. Crichton; Adrian H. Hill; Yasuo Ohishi; Serena Margadonnac","Structural transition in KMnCrF6 - a chemically ordered magnetic ferroelectric","Journal of Materials Chemistry C","2015","3","","4321","4332","10.1039/C4TC02038C","powder diffraction","","0.39992","synchrotron","","","","","","","","8.26","","1.45","","","","","","","has coordinates","218873","2020-10-21","18:00:00",""
"7234195","17.854","0.0001","17.8457","0.0001","7.89452","0.00002","90","","90","","90","","2515.33","0.02","5","","5","","","","","","","","","4","C c c 2","C 2 -2c","37","","KMnCrF6","","- Cr5 F30 K5.17 Mn5 -","- Cr5 F30 K5.167 Mn5 -","- Cr20 F120 K20.668 Mn20 -","4","0.5","","Christina Drathen; Takeshi Nakagawa; Wilson A. Crichton; Adrian H. Hill; Yasuo Ohishi; Serena Margadonnac","Structural transition in KMnCrF6 - a chemically ordered magnetic ferroelectric","Journal of Materials Chemistry C","2015","3","","4321","4332","10.1039/C4TC02038C","powder diffraction","","0.39992","Synchrotron","","","","","","","","7.32","","3.88","","","","","","","has coordinates","218873","2020-10-21","18:00:00",""
"7234196","12.8051","0.0004","13.0203","0.0004","15.2674","0.0006","101.396","0.003","102.641","0.003","109.004","0.003","2246.47","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","EIFD Dy H2O","","- C43 H35 Cl2 Dy F9 N3 O7 -","- C43 H35 Cl2 Dy F9 N3 O7 -","- C86 H70 Cl4 Dy2 F18 N6 O14 -","2","1","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71073","MoKα","","0.0526","0.0391","","","0.0837","0.0874","","","","","","0.98","","","","has coordinates","218874","2020-10-21","18:00:00",""
"7234197","12.928","0.005","13.333","0.005","15.388","0.005","94.383","0.005","100.445","0.005","109.447","0.005","2432.7","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","EIFD Dy DMF","","- C91 H78 Cl2 Dy2 F18 N8 O14 -","- C91 H78 Cl2 Dy2 F18 N8 O14 -","- C91 H78 Cl2 Dy2 F18 N8 O14 -","1","0.5","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71069","MoKα","","0.0666","0.0563","","","0.1552","0.1646","","","","","","1.04","","","","has coordinates","218874","2020-10-21","18:00:00",""
"7234198","12.2553","0.0006","13.2445","0.0006","15.0997","0.0007","94.56","0.004","93.878","0.004","109.954","0.004","2284.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 Dy F9 N3 O7 S -","- C44 H39 Dy F9 N3 O7 S -","- C88 H78 Dy2 F18 N6 O14 S2 -","2","1","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71073","MoKα","","0.0414","0.0352","","","0.0907","0.0958","","","","","","1.018","","","","has coordinates","218874","2020-10-21","18:00:00",""
"7234199","12.96","0.005","13.524","0.005","18.921","0.005","70.34","0.005","81.202","0.005","62.275","0.005","2764.4","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","EIFD dy TPPO","","- C60 H48 Dy F9 N3 O7 P -","- C60 H48 Dy F9 N3 O7 P -","- C120 H96 Dy2 F18 N6 O14 P2 -","2","1","","Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li","Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization","Journal of Materials Chemistry C","2015","3","","4407","4415","10.1039/C5TC00321K","","","0.71069","MoKα","","0.0436","0.0373","","","0.0932","0.0987","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234200","7.8406","0.0011","7.8406","0.0011","46.557","0.009","90","","90","","120","","2478.6","0.7","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- B79 Ba6 Bi9 O138 -","- B79.0002 Ba6 Bi9 O138 -","- B79.0002 Ba6 Bi9 O138 -","1","0.111111","","Rihong Cong; Zhengyang Zhou; Qiaoqi Li; Junliang Sun; Jianhua Lin; Tao Yang","Approaching the structure of REBaB9O16 (RE = rare earth) by characterization of a new analogue Ba6Bi9B79O138","Journal of Materials Chemistry C","2015","3","","4431","4437","10.1039/C5TC00560D","","","0.71073","MoKα","","0.0498","0.0453","","","0.129","0.1326","","","","","","1.082","","","","has coordinates","218876","2020-10-21","18:00:00",""
"7234238","25.816","0.007","12.486","0.003","20.898","0.006","90","","110.361","0.004","90","","6315","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Br2 Cl6 N8 O27 -","- C54 H44 Br2 Cl6 N8 O27 -","- C216 H176 Br8 Cl24 N32 O108 -","4","0.5","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.1189","0.091","","","0.2483","0.2934","","","","","","1.194","","","","has coordinates","218929","2020-10-21","18:00:00",""
"7234239","9.458","0.004","11.123","0.004","13.733","0.006","110.053","0.016","96.92","0.03","102.05","0.02","1297.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Br Cl N4 O4 -","- C27 H20 Br Cl N4 O4 -","- C54 H40 Br2 Cl2 N8 O8 -","2","1","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.1947","0.0862","","","0.2513","0.3493","","","","","","0.884","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234240","9.583","0.002","9.614","0.002","26.703","0.006","90","","100.57","0.007","90","","2418.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Br Cl N4 O4 -","- C27 H20 Br Cl N4 O4 -","- C108 H80 Br4 Cl4 N16 O16 -","4","1","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.046","0.0376","","","0.1121","0.1225","","","","","","0.895","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234241","16.215","0.007","25.856","0.011","7.236","0.003","90","","96.34","0.009","90","","3015","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H26 Br Cl N4 O7 -","- C27 H20 Br Cl N4 O7 -","- C108 H80 Br4 Cl4 N16 O28 -","4","1","","Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang","Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials","Journal of Materials Chemistry C","2015","3","","4563","4569","10.1039/C4TC02771J","","","0.71073","MoKα","","0.1115","0.0864","","","0.2357","0.2637","","","","","","0.94","","","","has coordinates","218929","2020-10-21","18:00:00",""
"7234242","20.8647","0.0011","20.8647","0.0011","16.3866","0.001","90","","90","","120","","6177.9","0.6","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H57 Mo12 N8 O63.5 Te2 -","- C24 H27 Mo12 N8.01 O69 Te2 -","- C72 H81 Mo36 N24.03 O207 Te6 -","3","0.166667","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0505","0.0483","","","0.1332","0.1359","","","","","","1.062","","","","has coordinates,has disorder","218930","2020-10-21","18:00:00",""
"7234243","18.325","0.003","12.758","0.002","21.5","0.003","90","","90.822","0.003","90","","5026","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H85 Mo12 N16 O57.5 Te2 -","- C48 H40 Mo12 N16 O56 Te2 -","- C96 H80 Mo24 N32 O112 Te4 -","2","0.5","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0688","0.0497","","","0.1344","0.1443","","","","","","1.054","","","","has coordinates","218930","2020-10-21","18:00:00",""
"7234244","28.781","0.003","28.635","0.002","25.14","0.002","90","","90","","90","","20719","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C52 H112 Mo24 N48 O124 Te4 -","- C52 H103 Mo24 N48 O118 Te4 -","- C208 H412 Mo96 N192 O472 Te16 -","4","0.5","","Yanfen Liang; Suzhi Li; Donghui Yang; Pengtao Ma; Jingyang Niu; Jingping Wang","Controllable assembly of multicarboxylic acids functionalized heteropolyoxomolybdates and allochroic properties","Journal of Materials Chemistry C","2015","3","","4632","4639","10.1039/C5TC00297D","","","0.71073","MoKα","","0.0813","0.0532","","","0.1534","0.1712","","","","","","1.081","","","","has coordinates","218930","2020-10-21","18:00:00",""
"7234245","24.4661","0.001","24.4661","0.001","20.545","0.002","90","","90","","120","","10650.4","1.2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","PYPN","2-(pyren-1-yl)-1H-phenanthro[9,10-d]imidazole","","- C31 H18 N2 -","- C31 H18 N2 -","- C558 H324 N36 -","18","1","","Madayanad Suresh Subeesh; Kanagaraj Shanmugasundaram; Chozhidakath Damodharan Sunesh; Yong Sun Won; Youngson Choe","Utilization of a phenanthroimidazole based fluorophore in light-emitting electrochemical cells","Journal of Materials Chemistry C","2015","3","","4683","4687","10.1039/C5TC00151J","","","0.71073","MoKα","","0.1547","0.0735","","","0.1903","0.2145","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234246","5.8774","0.0003","12.9817","0.0011","13.746","0.0012","106.244","0.003","97.87","0.005","98.955","0.005","976.48","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cu N2 O2 S2 -","- C42 H54 Cu N2 O2 S2 -","- C42 H54 Cu N2 O2 S2 -","1","0.5","","Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim","Electronic, charge and magnetic interactions in three-centre systems","Journal of Materials Chemistry C","2015","3","","4801","4809","10.1039/C5TC00658A","","","0.71073","MoKα","","0.2425","0.1117","","","0.1789","0.2284","","","","","","1.075","","","","has coordinates","218932","2020-10-21","18:00:00",""
"7234247","11.555","0.002","13.145","0.003","15.565","0.003","91.68","0.03","96.48","0.03","111.32","0.03","2182","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H0 Cu2 N4 O6 S4 -","- C92 Cu2 N4 O6 S4 -","- C92 Cu2 N4 O6 S4 -","1","0.5","","Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim","Electronic, charge and magnetic interactions in three-centre systems","Journal of Materials Chemistry C","2015","3","","4801","4809","10.1039/C5TC00658A","","","0.71073","MoKα","","0.1129","0.0922","","","0.2912","0.3049","","","","","","2.312","","","","has coordinates","218932","2020-10-21","18:00:00",""
"7234248","23.912","0.006","13.712","0.002","12.129","0.003","90","","96.501","0.017","90","","3951.3","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 Cu N2 O4 -","- C42 H54 Cu N2 O4 -","- C168 H216 Cu4 N8 O16 -","4","0.5","","Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim","Electronic, charge and magnetic interactions in three-centre systems","Journal of Materials Chemistry C","2015","3","","4801","4809","10.1039/C5TC00658A","","","0.71073","MoKα","","0.0785","0.0529","","","0.1293","0.1368","","","","","","0.904","","","","has coordinates","218932","2020-10-21","18:00:00",""
"7234249","11.563","0.0004","25.52","0.0007","18.8834","0.0005","90","","100.77","0.003","90","","5474.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H48 Cl4 N3 O4 P3 -","- C59 H48 Cl4 N3 O4 P3 -","- C236 H192 Cl16 N12 O16 P12 -","4","1","","Jilin Jia; Liping Zhu; Ying Wei; Zhongbin Wu; Hui Xu; Dongxue Ding; Runfeng Chen; Dongge Ma; Wei Huang","Triazine-phosphine oxide electron transporter for ultralow-voltage-driven sky blue PHOLEDs","Journal of Materials Chemistry C","2015","3","","4890","4902","10.1039/C4TC02993C","","","0.71073","MoKα","","0.0985","0.0654","","","0.1858","0.208","","","","","","1.255","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7234250","10.644","0.0018","14.262","0.004","18.828","0.003","94.179","0.017","95.469","0.014","108.415","0.019","2683.4","1","173","","173","","","","","","","","","3","P -1","-P 1","2","4TPAE","4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenylaniline)","","- C74 H56 N4 -","- C74 H56 N4 -","- C148 H112 N8 -","2","1","","Lifang Zhao; Yiliu Lin; Tong Liu; Hongxiang Li; Yu Xiong; Wang Zhang Yuan; Herman H.-Y. Sung; Ian D. Williams; Yongming Zhang; Ben Zhong Tang","Rational bridging affording luminogen with AIE features and high field effect mobility","Journal of Materials Chemistry C","2015","3","","4903","4909","10.1039/C5TC00633C","","x-ray","1.5418","CuKα","","0.216","0.0606","","","0.1111","0.1574","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234251","10.1401","0.0007","14.5567","0.001","17.5318","0.0012","82.8","0.0014","79.8955","0.0015","83.7633","0.0015","2517.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 F12 N12 O6 Os2 -","- C44 H28 F12 N12 O6 Os2 -","- C88 H56 F24 N24 O12 Os4 -","2","1","","Jia-Ling Liao; Yun Chi; Chia-Chi Yeh; Hao-Che Kao; Chih-Hao Chang; Mark A. Fox; Paul J. Low; Gene-Hsiang Lee","Near infrared-emitting tris-bidentate Os(ii) phosphors: control of excited state characteristics and fabrication of OLEDs","Journal of Materials Chemistry C","2015","3","","4910","4920","10.1039/C5TC00204D","","","0.71073","MoKα","","0.0451","0.0353","","","0.0946","0.1026","","","","","","1.061","","","","has coordinates,has disorder","218935","2020-10-21","18:00:00",""
"7234252","23.1156","0.0007","16.4313","0.0005","18.4153","0.0005","90","","96.193","0.002","90","","6953.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H37 F6 N6 Os P2 -","- C35 H30 F6 N6 Os P2 -","- C280 H240 F48 N48 Os8 P16 -","8","1","","Jia-Ling Liao; Yun Chi; Chia-Chi Yeh; Hao-Che Kao; Chih-Hao Chang; Mark A. Fox; Paul J. Low; Gene-Hsiang Lee","Near infrared-emitting tris-bidentate Os(ii) phosphors: control of excited state characteristics and fabrication of OLEDs","Journal of Materials Chemistry C","2015","3","","4910","4920","10.1039/C5TC00204D","","","0.71073","MoKα","","0.0741","0.0482","","","0.1296","0.1409","","","","","","1.056","","","","has coordinates,has disorder","218935","2020-10-21","18:00:00",""
"7234254","5.7003","0.0004","8.7382","0.0005","17.506","0.001","82.547","0.006","84.108","0.006","87.123","0.005","859.44","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 S -","- C21 H15 N3 S -","- C42 H30 N6 S2 -","2","1","","Yue Jiang; Clement Cabanetos; Magali Allain; Ping Liu; Jean Roncali","Manipulation of the band gap and efficiency of a minimalist push-pull molecular donor for organic solar cells","Journal of Materials Chemistry C","2015","3","","5145","5151","10.1039/C5TC00913H","","x-ray","0.71073","MoKα","","0.0839","0.0431","","","0.0871","0.0996","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234255","10.1911","0.0005","13.6907","0.0006","21.9162","0.001","94.608","0.002","101.173","0.002","110.389","0.002","2775.3","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Kat2Mo6Cl14","","","- C98 H128 Cl18 Mo6 N6 O4 -","- C98 H128 Cl18 Mo6 N6 O4 -","- C98 H128 Cl18 Mo6 N6 O4 -","1","0.5","","M. Prevot; M. Amela-Cortes; S. K. Manna; S. Cordier; T. Roisnel; H. Folliot; L. Dupont; Y. Molard","Electroswitchable red-NIR luminescence of ionic clustomesogen containing nematic liquid crystalline devices","Journal of Materials Chemistry C","2015","3","","5152","5161","10.1039/C5TC00632E","","x-ray","0.71073","MoKα","","0.0485","0.0404","","","0.0982","0.1034","","","","","","1.052","","","","has coordinates","218952","2020-10-21","18:00:00",""
"7234256","9.8354","0.0002","9.6965","0.0003","34.4455","0.0009","90","","90.286","0.002","90","","3284.99","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C85 H76 Cl2 O2 -","- C85 H76 Cl2 O2 -","- C170 H152 Cl4 O4 -","2","1","","Haoke Zhang; Hongkun Li; Jia Wang; Jingzhi Sun; Anjun Qin; Ben Zhong Tang","Axial chiral aggregation-induced emission luminogens with aggregation-annihilated circular dichroism effect","Journal of Materials Chemistry C","2015","3","","5162","5166","10.1039/C5TC00629E","","x-ray","1.5418","CuKα","","0.0755","0.0648","","","0.1627","0.1718","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234257","6.6037","0.0002","6.6037","0.0002","3.5585","0.0001","90","","90","","120","","134.392","0.007","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- H3 N O6 Sr2 -","- H3 N O6 Sr2 -","- H3 N O6 Sr2 -","1","0.0833333","","Ling Huang; Guohong Zou; Huaqiang Cai; Shichao Wang; Chensheng Lin; Ning Ye","Sr2(OH)3NO3: the first nitrate as a deep UV nonlinear optical material with large SHG responses","Journal of Materials Chemistry C","2015","3","","5268","5274","10.1039/C5TC00344J","","","1.54184","CuKα","","0.0401","0.0401","","","0.1035","0.1035","","","","","","1.239","","","","has coordinates","218955","2020-10-21","18:00:00",""
"7234258","3.081","","3.081","","5.031","","90","","90","","120","","41.359","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Aluminum Nitride","","- Al N -","- Al N -","- Al2 N2 -","2","0.166667","","Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu","Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition","Journal of Materials Chemistry C","2015","3","","5307","5315","10.1039/C5TC00475F","","","","","","","","","","","","","","","","","","","","","has coordinates","218956","2020-10-21","18:00:00",""
"7234259","3.1972","0.0012","3.1972","0.0012","5.207","0.003","90","","90","","120","","46.1","0.04","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Gallium Nitride - Thick Layer","","- Ga N -","- Ga N -","- Ga2 N2 -","2","0.166667","","Hua Cai; Peipei Liang; Rene Hubner; Shengqiang Zhou; Yanli Li; Jian Sun; Ning Xu; Jiada Wu","Composition and bandgap control of AlxGa1-xN films synthesized by plasma-assisted pulsed laser deposition","Journal of Materials Chemistry C","2015","3","","5307","5315","10.1039/C5TC00475F","","","","","","0.0088","","","","","","","","","","","","","","","has coordinates","218956","2020-10-21","18:00:00",""
"7234260","4.888","0.001","23.378","0.005","15.437","0.003","90","","94.07","0.03","90","","1759.6","0.6","296","2","296","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Xiaotao Zhang; Guangyao Zhao; Yonggang Zhen; Zeyi Tu; Ping He; Yuanping Yi; Huanli Dong; Wenping Hu","The position effect of an ethynyl spacer on the carrier mobility of anthracene derivatives","Journal of Materials Chemistry C","2015","3","","5368","5371","10.1039/C5TC00606F","","","0.71073","MoKα","","0.0748","0.0667","","","0.1555","0.1599","","","","","","1.276","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234261","38.26","0.03","5.862","0.004","7.489","0.006","90","","92.456","0.009","90","","1678","2","173.15","","173.15","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Xiaotao Zhang; Guangyao Zhao; Yonggang Zhen; Zeyi Tu; Ping He; Yuanping Yi; Huanli Dong; Wenping Hu","The position effect of an ethynyl spacer on the carrier mobility of anthracene derivatives","Journal of Materials Chemistry C","2015","3","","5368","5371","10.1039/C5TC00606F","","","0.71073","MoKα","","0.0648","0.0592","","","0.1608","0.1757","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234262","10.8937","0.0008","12.4951","0.001","13.103","0.0008","115.982","0.007","111.79","0.006","91.787","0.006","1448.1","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","PBIPO","Diphenyl(4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenyl)phosphine oxide","","- C20 H10 Cl0.5 N2 O P S0.5 -","- C32 H27 Cl2 N2 O2 P -","- C64 H54 Cl4 N4 O4 P2 -","2","1","","Wenjing Kan; Liping Zhu; Ying Wei; Dongge Ma; Mingzhi Sun; Zhongbin Wu; Wei Huang; Hui Xu","Phosphine oxide-jointed electron transporters for the reduction of interfacial quenching in highly efficient blue PHOLEDs","Journal of Materials Chemistry C","2015","3","","5430","5439","10.1039/C5TC00643K","","","0.71073","MoKα","","0.1043","0.0796","","","0.2211","0.2436","","","","","","1.108","","","","has coordinates","218958","2020-10-21","18:00:00",""
"7234263","13.3841","0.0011","13.5035","0.0011","23.4174","0.0019","90","","97.34","0.004","90","","4197.6","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cl Ir N O P2 -","- C48 H39 Cl Ir N O P2 -","- C192 H156 Cl4 Ir4 N4 O4 P8 -","4","1","","Parvej Alam; Gurpreet Kaur; Vishal Kachwal; Asish Gupta; Angshuman Roy Choudhury; Inamur Rahaman Laskar","Highly sensitive explosive sensing by 'aggregation induced phosphorescence' active cyclometalated iridium(iii) complexes","Journal of Materials Chemistry C","2015","3","","5450","5456","10.1039/C5TC00963D","","","0.71073","MoKα","","0.0456","0.0305","","","0.0723","0.0765","","","","","","1.063","","","","has coordinates","218959","2020-10-21","18:00:00",""
"7234264","7.698","0.005","9.598","0.005","20.109","0.005","90","0.005","90","0.005","90","0.005","1485.8","1.3","327","2","327","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N S -","- C64 H76 N4 S4 -","4","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71069","MoKα","","0.052","0.0496","","","0.1409","0.1443","","","","","","0.95","","","","has coordinates","218960","2020-10-21","18:00:00",""
"7234265","8.455","0.002","19.449","0.005","19.449","","90","","90","","90","","3198.2","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N O S -","- C17 H18 N O S -","- C136 H144 N8 O8 S8 -","8","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71073","MoKα","","0.0868","0.055","","","0.1517","0.1687","","","","","","0.944","","","","has coordinates,has disorder","218960","2020-10-21","18:00:00",""
"7234266","7.049","0.005","7.957","0.005","18.198","0.005","77.582","0.005","86.058","0.005","85.366","0.005","992.2","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N O S -","- C25 H19 N O S -","- C50 H38 N2 O2 S2 -","2","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71069","MoKα","","0.0462","0.0385","","","0.1203","0.1313","","","","","","1.049","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234267","12.232","0.005","24.846","0.005","16.81","0.005","90","0.005","100.355","0.005","90","0.005","5026","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C232 H216 N8 O24 S8 -","8","2","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71069","MoKα","","0.1603","0.0647","","","0.1613","0.2159","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234268","8.8386","0.0006","21.5698","0.0016","7.7107","0.0005","90","","98.864","0.007","90","","1452.46","0.18","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N -","- C19 H19 N -","- C76 H76 N4 -","4","1","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","1.54187","CuKα","","","0.0508","","","","0.1374","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234269","18.041","0.005","10.854","0.003","29.573","0.008","90","","90.118","0.018","90","","5791","3","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C288 H336 N24 -","12","3","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","1.54187","CuKα","","","0.0531","","","","0.0863","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234270","9.7682","0.001","10.0584","0.0015","10.3707","0.0011","85.751","0.009","66.29","0.007","83.253","0.009","926.1","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C48 H56 N4 -","2","1","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","0.71075","MoKα","","","0.0839","","","","0.2455","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234271","7.388","0.002","7.625","0.002","9.047","0.003","101.595","0.006","103.106","0.005","99.662","0.004","473.9","0.2","123","","123","","","","","","","","","3","P -1","-P 1","2","","9,10-bis(piperidyl)anthracene","","- C24 H28 N2 -","- C24 H28 N2 -","- C24 H28 N2 -","1","0.5","","Shunsuke Sasaki; Kazunobu Igawa; Gen-ichi Konishi","The effect of regioisomerism on the solid-state fluorescence of bis(piperidyl)anthracenes: structurally simple but bright AIE luminogens","Journal of Materials Chemistry C","2015","3","","5940","5950","10.1039/C5TC00946D","","","0.71075","MoKα","","","0.0802","","","","0.2243","","","","","","1.054","","","","has coordinates","218961","2020-10-21","18:00:00",""
"7234272","12.604","0.002","4.8761","0.0009","32.657","0.006","90","","100.676","0.004","90","","1972.3","0.6","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","hexyl-substituted anthra[1,2-b:4,3-b?:5,6-b??:8,7-b???]tetrathiophene","","- C46 H58 S4 -","- C46 H58 S4 -","- C92 H116 S8 -","2","0.5","","Cassandre Quinton; Mitsuharu Suzuki; Yoshitaka Kaneshige; Yuki Tatenaka; Chiho Katagiri; Yuji Yamaguchi; Daiki Kuzuhara; Naoki Aratani; Ken-ichi Nakayama; Hiroko Yamada","Evaluation of semiconducting molecular thin films solution-processed via the photoprecursor approach: the case of hexyl-substituted thienoanthracenes","Journal of Materials Chemistry C","2015","3","","5995","6005","10.1039/C5TC00794A","","","0.71073","MoKα","","0.1216","0.0574","","","0.0906","0.1098","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234273","10.9591","0.0003","11.813","0.0003","19.6453","0.0005","104.659","0.001","96.32","0.001","103.82","0.001","2349.57","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","C6-ATTDK","2,5,9,12-Tetrahexyl-7,14-dihydro-7,14-ethanoanthra [1,2-b:4,3-b?:5,6-b??:8,7-b???]tetrathiophene-15,16-dione","","- C51 H65 O2 S4 -","- C51 H65 O2 S4 -","- C102 H130 O4 S8 -","2","1","","Cassandre Quinton; Mitsuharu Suzuki; Yoshitaka Kaneshige; Yuki Tatenaka; Chiho Katagiri; Yuji Yamaguchi; Daiki Kuzuhara; Naoki Aratani; Ken-ichi Nakayama; Hiroko Yamada","Evaluation of semiconducting molecular thin films solution-processed via the photoprecursor approach: the case of hexyl-substituted thienoanthracenes","Journal of Materials Chemistry C","2015","3","","5995","6005","10.1039/C5TC00794A","","","0.71075","MoKα","","0.0939","0.0605","","","0.1633","0.193","","","","","","1.102","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234274","12.47","0.0005","13.7514","0.0005","16.2964","0.0006","90","","105.061","0.0008","90","","2698.52","0.18","103","","103","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","C6-BADTDK","2,8-Dihexyl-6,12-dihydro-6,12-ethanoanthra[1,2-b:5,6-b']dithiophene-13,14-dione","","- C32 H34 O2 S2 -","- C32 H34 O2 S2 -","- C128 H136 O8 S8 -","4","1","","Cassandre Quinton; Mitsuharu Suzuki; Yoshitaka Kaneshige; Yuki Tatenaka; Chiho Katagiri; Yuji Yamaguchi; Daiki Kuzuhara; Naoki Aratani; Ken-ichi Nakayama; Hiroko Yamada","Evaluation of semiconducting molecular thin films solution-processed via the photoprecursor approach: the case of hexyl-substituted thienoanthracenes","Journal of Materials Chemistry C","2015","3","","5995","6005","10.1039/C5TC00794A","","","0.71075","MoKα","","","0.0589","","","","0.1559","","","","","","1.05","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234280","9.6337","0.0003","10.7137","0.0005","18.8281","0.0009","98.742","0.004","100.488","0.003","100.213","0.003","1846.15","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tri-n-butylammonium Trichloroacetate","","- C14 H28 Cl3 N O2 -","- C14 H28 Cl3 N O2 -","- C56 H112 Cl12 N4 O8 -","4","2","","Muhammad Adnan Asghar; Chengmin Ji; Yuelan Zhou; Zhihua Sun; Tariq Khan; Shuquan Zhang; Sangen Zhao; Junhua Luo","Order-disorder phase transition coupled with torsion in tri-n-butylammonium trichloroacetate (TBAT)","Journal of Materials Chemistry C","2015","3","","6053","6057","10.1039/C5TC00989H","","","1.54184","CuKα","","0.0576","0.0493","","","0.1271","0.1375","","","","","","1.042","","","","has coordinates","219001","2020-10-21","18:00:00",""
"7234281","9.6704","0.0003","10.5407","0.0004","19.7334","0.0009","98.677","0.004","101.665","0.004","98.35","0.003","1915.04","0.14","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","Tri-n-butylammonium Trichloroacetate","","- C14 H28 Cl3 N O2 -","- C14 H28 Cl3 N O2 -","- C56 H112 Cl12 N4 O8 -","4","2","","Muhammad Adnan Asghar; Chengmin Ji; Yuelan Zhou; Zhihua Sun; Tariq Khan; Shuquan Zhang; Sangen Zhao; Junhua Luo","Order-disorder phase transition coupled with torsion in tri-n-butylammonium trichloroacetate (TBAT)","Journal of Materials Chemistry C","2015","3","","6053","6057","10.1039/C5TC00989H","","","1.54184","CuKα","","0.0793","0.0643","","","0.1657","0.1813","","","","","","1.057","","","","has coordinates,has disorder","219001","2020-10-21","18:00:00",""
"7234282","5.6911","0.0019","17.259","0.006","7.0675","0.0016","90","","117.647","0.019","90","","614.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C28 H20 Br4 -","2","0.5","","Wei Huang; Hejian Zhang; Ji Ma; Moyun Chen; Haoyun Zhu; Weizhi Wang","Ladder-type conjugated oligomers prepared by the Scholl oxidative cyclodehydrogenation reaction: synthesis, characterization and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","6200","6208","10.1039/C5TC00354G","","","0.71073","MoKα","","0.0447","0.0409","","","0.0949","0.0966","","","","","","1.048","","","","has coordinates","219003","2020-10-21","18:00:00",""
"7234283","15.526","0.005","6.539","0.005","25.12","0.005","90","","90.019","0.01","90","","2550","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 B2 O4 -","- C26 H34 B2 O4 -","- C104 H136 B8 O16 -","4","1","","Wei Huang; Hejian Zhang; Ji Ma; Moyun Chen; Haoyun Zhu; Weizhi Wang","Ladder-type conjugated oligomers prepared by the Scholl oxidative cyclodehydrogenation reaction: synthesis, characterization and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","6200","6208","10.1039/C5TC00354G","","","0.71073","MoKα","","0.1632","0.1206","","","0.2428","0.2586","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234284","11.305","0.002","13.536","0.003","15.408","0.003","90","","111.03","0.03","90","","2200.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cu3 I3 N6 -","- C18 H15 Cu3 I3 N6 -","- C72 H60 Cu12 I12 N24 -","4","1","","Yang Song; Ruiqing Fan; Ping Wang; Xinming Wang; Song Gao; Xi Du; Yulin Yang; Tianzhu Luan","Copper(i)-iodide based coordination polymers: bifunctional properties related to thermochromism and PMMA-doped polymer film materials","Journal of Materials Chemistry C","2015","3","","6249","6259","10.1039/C5TC01273B","","","0.71073","MoKα","","0.0362","0.0311","","","0.0715","0.0765","","","","","","1.02","","","","has coordinates","219004","2020-10-21","18:00:00",""
"7234285","8.9396","0.0012","14.0865","0.0019","14.727","0.002","92.344","0.002","97.653","0.002","90.604","0.002","1836.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu4 I4 N8 O0 -","- C28 H28 Cu4 I4 N8 -","- C56 H56 Cu8 I8 N16 -","2","1","","Yang Song; Ruiqing Fan; Ping Wang; Xinming Wang; Song Gao; Xi Du; Yulin Yang; Tianzhu Luan","Copper(i)-iodide based coordination polymers: bifunctional properties related to thermochromism and PMMA-doped polymer film materials","Journal of Materials Chemistry C","2015","3","","6249","6259","10.1039/C5TC01273B","","","0.71073","MoKα","","0.0407","0.0299","","","0.0837","0.0906","","","","","","0.91","","","","has coordinates","219004","2020-10-21","18:00:00",""
"7234286","12.345","0.007","12.481","0.007","12.85","0.003","90","","133.15","0.02","90","","1444.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C48 H64 Mn8 N16 O48 -","8","2","","Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture","Journal of Materials Chemistry C","2015","3","","6350","6358","10.1039/C5TC01004G","","","0.71073","MoKα","","0.0622","0.0415","","","0.1115","0.1295","","","","","","1.156","","","","has coordinates","219005","2020-10-21","18:00:00",""
"7234287","8.8169","0.001","8.8169","0.001","6.4562","0.0012","90","","90","","90","","501.89","0.12","453","2","453","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C12 H16 Mn2 N4 O12 -","2","0.25","","Fang-Fang Wang; Cheng Chen; Yi Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu","A prominent dielectric material with extremely high-temperature and reversible phase transition in the high thermally stable perovskite-like architecture","Journal of Materials Chemistry C","2015","3","","6350","6358","10.1039/C5TC01004G","","","0.71073","MoKα","","0.1174","0.0879","","","0.2006","0.2173","","","","","","1.202","","","","has coordinates","219005","2020-10-21","18:00:00",""
"7234288","3.9847","0.0004","11.5962","0.0008","21.0935","0.0013","102.184","0.006","90.398","0.007","91.768","0.007","952.18","0.13","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","bis (vinyl quinolinyl)bBenzene","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","1","","Poopathy Kathirgamanathan; Sivagnanasundram Surendrakumar; Seenivasagam Ravichandran; Muttulingam Kumaraverl; Juan Antipan Lara; Subramaniam Ganeshamurugan; Lisa M. Bushby; Jeremiah P. Tidey; Alexander J. Blake","Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs","Journal of Materials Chemistry C","2015","3","","6652","6667","10.1039/C5TC00932D","","","1.5418","CuKα","","0.0969","0.0668","","","0.1556","0.17","","","","","","1.088","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234289","10.5974","0.0004","7.5438","0.0003","17.0328","0.0007","90","","106.225","0.004","90","","1307.45","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H24 N2 S2 -","- C36 H24 N2 S2 -","- C72 H48 N4 S4 -","2","1","","Poopathy Kathirgamanathan; Sivagnanasundram Surendrakumar; Seenivasagam Ravichandran; Muttulingam Kumaraverl; Juan Antipan Lara; Subramaniam Ganeshamurugan; Lisa M. Bushby; Jeremiah P. Tidey; Alexander J. Blake","Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs","Journal of Materials Chemistry C","2015","3","","6652","6667","10.1039/C5TC00932D","","","1.5418","CuKα","","0.0454","0.0418","","","0.115","0.117","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234290","28.872","0.0015","7.3042","0.0003","6.3633","0.0003","90","","90.936","0.004","90","","1341.76","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","0.5","","Poopathy Kathirgamanathan; Sivagnanasundram Surendrakumar; Seenivasagam Ravichandran; Muttulingam Kumaraverl; Juan Antipan Lara; Subramaniam Ganeshamurugan; Lisa M. Bushby; Jeremiah P. Tidey; Alexander J. Blake","Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs","Journal of Materials Chemistry C","2015","3","","6652","6667","10.1039/C5TC00932D","","","1.5418","CuKα","","0.0606","0.046","","","","0.129","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234291","12.3589","0.0011","14.041","0.0012","14.1355","0.0012","96.287","0.002","104.612","0.001","102.61","0.002","2280.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H86 Cl18 N12 O20 Ru -","- C78 H86 Cl18 N12 O20 Ru -","- C78 H86 Cl18 N12 O20 Ru -","1","0.5","","Yulia G. Gorbunova; Antonina D. Grishina; Alexander G. Martynov; Tatiyana V. Krivenko; Alexandra A. Isakova; Vladimir V. Savel'ev; Sergey E. Nefedov; Evgeny V. Abkhalimov; Anatoly V. Vannikov; Aslan Yu. Tsivadze","The crucial role of self-assembly in nonlinear optical properties of polymeric composites based on crown-substituted ruthenium phthalocyaninate","Journal of Materials Chemistry C","2015","3","","6692","6700","10.1039/C5TC00965K","","","0.71073","MoKα","","0.155","0.071","","","0.1519","0.1903","","","","","","1.008","","","","has coordinates,has disorder","219008","2020-10-21","18:00:00",""
"7234292","7.341","0.004","30.358","0.014","16.214","0.009","90","","97.409","0.011","90","","3583","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H38 N3 O0.5 -","- C47 H38 N3 O0.5 -","- C188 H152 N12 O2 -","4","2","","D. Kaleeswaran; Pratap Vishnoi; Ramaswamy Murugavel","[3+3] Imine and beta-ketoenamine tethered fluorescent covalent-organic frameworks for CO2 uptake and nitroaromatic sensing","Journal of Materials Chemistry C","2015","3","","7159","7171","10.1039/C5TC00670H","","","1.5419","CuKα","","0.1005","0.071","","","0.1614","0.1891","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234293","9.392","0.004","25.613","0.013","32.908","0.016","90","","97.358","0.001","90","","7851","6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C81 H81 N3 -","- C81 H81 N3 -","- C324 H324 N12 -","4","1","","D. Kaleeswaran; Pratap Vishnoi; Ramaswamy Murugavel","[3+3] Imine and beta-ketoenamine tethered fluorescent covalent-organic frameworks for CO2 uptake and nitroaromatic sensing","Journal of Materials Chemistry C","2015","3","","7159","7171","10.1039/C5TC00670H","","","0.71075","MoKα","","0.12","0.089","","","0.2247","0.2476","","","","","","1.08","","","","has coordinates,has disorder","301866","2025-08-22","21:38:27",""
"7234294","23.98","0.0007","17.7382","0.0006","8.0277","0.0003","90","","90","","90","","3414.7","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H28 Cl3 N3 O2 -","- C42 H28 Cl3 N3 O2 -","- C168 H112 Cl12 N12 O8 -","4","0.5","","Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling","A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour","Journal of Materials Chemistry C","2015","3","","7267","7271","10.1039/C5TC01314C","","","1.54178","CuKα","","0.1132","0.0678","","","0.1743","0.2073","","","","","","1.034","","","","has coordinates","219011","2020-10-21","18:00:00",""
"7234295","9.0205","0.0003","10.9629","0.0003","17.9974","0.0006","78.085","0.003","82.277","0.003","80.414","0.003","1707.87","0.1","284","2","284","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Cl3 N3 O2 -","- C42 H28 Cl3 N3 O2 -","- C84 H56 Cl6 N6 O4 -","2","1","","Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling","A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour","Journal of Materials Chemistry C","2015","3","","7267","7271","10.1039/C5TC01314C","","","1.54178","CuKα","","0.0501","0.0429","","","0.144","0.153","","","","","","1.147","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234296","26.2357","0.0007","15.5476","0.0003","19.4629","0.0005","90","","107.126","0.003","90","","7586.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H43 N3 O4 -","- C49 H43 N3 O4 -","- C392 H344 N24 O32 -","8","1","","Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling","A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour","Journal of Materials Chemistry C","2015","3","","7267","7271","10.1039/C5TC01314C","","","1.54178","CuKα","","0.0607","0.0565","","","0.1499","0.1536","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:27",""
"7234297","16.765","0.002","15.096","0.008","20.642","0.001","90","","90","","90","","5224","3","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H18 F4 Ir N5 O2 -","- C28 H18 F4 Ir N5 O2 -","- C224 H144 F32 Ir8 N40 O16 -","8","1","","K. S. Bejoymohandas; Arunandan Kumar; S. Varughese; E. Varathan; V. Subramanian; M. L. P. Reddy","Photophysical and electroluminescence properties of bis(2',6'-difluoro-2,3'-bipyridinato-N,C4')iridium(picolinate) complexes: effect of electron-withdrawing and electron-donating group substituents at the 4' position of the pyridyl moiety of the cyclometalated ligand","Journal of Materials Chemistry C","2015","3","","7405","7420","10.1039/C5TC01260K","","","0.71073","MoKα","","0.09","0.0772","","","0.1937","0.2141","","","","","","1.048","","","","has coordinates","219013","2020-10-21","18:00:00",""
"7234298","12.069","0.003","12.029","0.003","19.562","0.005","90","","92.189","0.004","90","","2837.9","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cl2 F4 Ir N5 O4 -","- C29 H20 Cl2 F4 Ir N5 O4 -","- C116 H80 Cl8 F16 Ir4 N20 O16 -","4","1","","K. S. Bejoymohandas; Arunandan Kumar; S. Varughese; E. Varathan; V. Subramanian; M. L. P. Reddy","Photophysical and electroluminescence properties of bis(2',6'-difluoro-2,3'-bipyridinato-N,C4')iridium(picolinate) complexes: effect of electron-withdrawing and electron-donating group substituents at the 4' position of the pyridyl moiety of the cyclometalated ligand","Journal of Materials Chemistry C","2015","3","","7405","7420","10.1039/C5TC01260K","","","0.71073","MoKα","","0.025","0.0214","","","0.0517","0.053","","","","","","1.047","","","","has coordinates","219013","2020-10-21","18:00:00",""
"7234299","10","0.002","28","0.006","7","0.0014","90","","105","0.03","90","","1893.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SBOH","(E)-dimethyl 5-((4-(diethylamino)-2-hydroxybenzylidene)amino)isophthalate","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Tianyu Han; Xiao Feng; Didi Chen; Yuping Dong","A diethylaminophenol functionalized Schiff base: crystallization-induced emission-enhancement, switchable fluorescence and application for security printing and data storage","Journal of Materials Chemistry C","2015","3","","7446","7454","10.1039/C5TC00891C","","","0.71073","MoKα","","0.0789","0.064","","","0.1569","0.1728","","","","","","0.775","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7234300","11.5659","0.0004","5.133","0.0001","15.5436","0.0005","90","","90.063","0.002","90","","922.79","0.05","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 -","- C17 H8 -","- C68 H32 -","4","1","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.0691","0.0483","","","0.1263","0.1419","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234301","5.0661","0.0017","15.948","0.006","25.586","0.009","90","","90","","90","","2067.2","1.3","200","2","200","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C36 H20 -","- C36 H20 -","- C144 H80 -","4","0.5","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.1674","0.0659","","","0.1682","0.2555","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234302","11.8364","0.0004","5.0807","0.0002","15.5746","0.0006","90","","90.487","0.002","90","","936.58","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H7 F -","- C17 H7 F -","- C68 H28 F4 -","4","1","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.0567","0.0394","","","0.1075","0.1215","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234303","12.403","0.006","5.099","0.002","15.999","0.007","90","","95.079","0.014","90","","1007.9","0.8","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H18 -","- C35 H18 -","- C70 H36 -","2","0.5","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.2131","0.078","","","0.2024","0.2964","","","","","","0.919","","","","has coordinates,has disorder","219018","2020-10-21","18:00:00",""
"7234304","26.659","0.004","6.1038","0.0011","19.317","0.004","90","","119.161","0.015","90","","2744.9","0.9","200","2","200","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 -","- C42 H32 -","- C168 H128 -","4","0.5","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.213","0.068","","","0.1624","0.259","","","","","","0.952","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234305","9.8428","0.0015","17.45","0.003","12.4113","0.0019","90","","101.866","0.002","90","","2086.2","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TPO-DBBO","4,8-bis(4-yl-triphenylphosphine oxide)-2,6-dimethylbenzo [1,2-d:4,5-d']bis(oxazole)","","- C48 H42 N2 O6 P2 -","- C48 H42 N2 O6 P2 -","- C96 H84 N4 O12 P4 -","2","0.5","","Xiaojun Yin; Tingke Zhang; Qiming Peng; Tao Zhou; Weixuan Zeng; Zece Zhu; Guohua Xie; Feng Li; Dongge Ma; Chuluo Yang","Benzobisoxazole-based electron transporting materials with high Tg and ambipolar property: high efficiency deep-red phosphorescent OLEDs","Journal of Materials Chemistry C","2015","3","","7589","7596","10.1039/C5TC01353D","","","0.71073","MoKα","","0.07","0.0624","","","0.2009","0.219","","","","","","1.09","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234306","13.1195","0.0007","10.2129","0.0006","17.5681","0.001","90","","93.941","0.002","90","","2348.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Cl3 Dy O22 -","- C8 H28 Cl3 Dy O22 -","- C32 H112 Cl12 Dy4 O88 -","4","1","","Emma L. Gavey; Majeda Al Hareri; Jeffery Regier; Luis D. Carlos; Rute A. S. Ferreira; Fereidoon S. Razavi; Jeremy M. Rawson; Melanie Pilkington","Placing a crown on DyIII - a dual property LnIII crown ether complex displaying optical properties and SMM behaviour","Journal of Materials Chemistry C","2015","3","","7738","7747","10.1039/C5TC01264C","","","0.71073","MoKα","","0.0213","0.0208","","","0.0514","0.0516","","","","","","1.334","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234307","15.8533","0.0014","14.6908","0.0014","16.4867","0.0015","90","","99.409","0.004","90","","3788.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl3 Dy O27 -","- C20 H48 Cl3 Dy O27 -","- C80 H192 Cl12 Dy4 O108 -","4","1","","Emma L. Gavey; Majeda Al Hareri; Jeffery Regier; Luis D. Carlos; Rute A. S. Ferreira; Fereidoon S. Razavi; Jeremy M. Rawson; Melanie Pilkington","Placing a crown on DyIII - a dual property LnIII crown ether complex displaying optical properties and SMM behaviour","Journal of Materials Chemistry C","2015","3","","7738","7747","10.1039/C5TC01264C","","","0.71073","MoKα","","0.049","0.046","","","0.135","0.1394","","","","","","1.233","","","","has coordinates","219022","2020-10-21","18:00:00",""
"7234308","11.061","0.007","9.663","0.006","16.8","0.01","90","","91.609","0.01","90","","1794.9","1.9","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N4 O4 -","- C42 H38 N4 O4 -","- C84 H76 N8 O8 -","2","0.5","","Bin-Bin Ma; Hua Zhang; Yu Wang; Yu-Xin Peng; Wei Huang; Ming-Kui Wang; Yan Shen","Visualized acid-base discoloration and optoelectronic investigations of azines and azomethines having double 4-[N,N-di(4-methoxyphenyl)amino]phenyl terminals","Journal of Materials Chemistry C","2015","3","","7748","7755","10.1039/C5TC00909J","","","0.71073","MoKα","","0.1353","0.0775","","","0.216","0.2435","","","","","","1.026","","","","has coordinates","219023","2020-10-21","18:00:00",""
"7234309","20.928","0.002","10.0003","0.0011","33.93","0.004","90","","102.537","0.002","90","","6931.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 N3 O4 -","- C41 H37 N3 O4 -","- C328 H296 N24 O32 -","8","2","","Bin-Bin Ma; Hua Zhang; Yu Wang; Yu-Xin Peng; Wei Huang; Ming-Kui Wang; Yan Shen","Visualized acid-base discoloration and optoelectronic investigations of azines and azomethines having double 4-[N,N-di(4-methoxyphenyl)amino]phenyl terminals","Journal of Materials Chemistry C","2015","3","","7748","7755","10.1039/C5TC00909J","","","0.71073","MoKα","","0.2189","0.0679","","","0.1061","0.128","","","","","","0.996","","","","has coordinates","219023","2020-10-21","18:00:00",""
"7234319","12.173","0.006","12.28","0.005","16.068","0.008","69.861","0.018","69.023","0.018","60.628","0.015","1912","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","iron(II) py3CMe complex","tetrabutylammonium iron(II)(1,1,1-tris(2-pyridyl)ethane)trithiocyanate","","- C36 H51 Fe N7 S3 -","- C36 H51 Fe N7 S3 -","- C72 H102 Fe2 N14 S6 -","2","1","","Masaru Yamasaki; Takayuki Ishida","Heating-rate dependence of spin-crossover hysteresis observed in an iron(ii) complex having tris(2-pyridyl)methanol","Journal of Materials Chemistry C","2015","3","","7784","7787","10.1039/C5TC00926J","","","0.71073","MoKα","","","0.0795","","","","0.0928","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234320","12.2761","0.0006","15.8132","0.0007","15.835","0.0008","84.871","0.002","74.034","0.002","87.117","0.002","2942.5","0.2","306","2","306","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","2","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","0.71073","MoKα","","0.167","0.0656","","","0.1074","0.1337","","","","","","1.049","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234321","12.276","0.01","16.18","0.013","15.724","0.013","90","","108.76","0.02","90","","2957","4","306","2","306","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","1","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","0.71073","MoKα","","0.2613","0.0788","","","0.1069","0.1491","","","","","","0.961","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234322","12.3044","0.0014","16.188","0.002","15.6103","0.0018","90","","108.424","0.007","90","","2949.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","1","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","0.71073","MoKα","","0.1482","0.0463","","","0.0944","0.1176","","","","","","0.792","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234323","12.0934","0.0012","15.3697","0.0017","15.9466","0.0015","84.159","0.007","74.197","0.006","87.61","0.007","2836.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cu F12 N4 O6 -","- C21 H19 Cu F12 N4 O6 -","- C84 H76 Cu4 F48 N16 O24 -","4","2","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","1.54178","CuKα","","0.1393","0.0853","","","0.2399","0.2773","","","","","","1.043","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234324","11.9822","0.0013","15.0665","0.0018","15.8827","0.0018","81.337","0.007","76.852","0.006","85.591","0.006","2757.6","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Cu2 F24 N8 O12 -","- C42 H38 Cu2 F24 N8 O12 -","- C84 H76 Cu4 F48 N16 O24 -","2","1","","Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko","A heterospin pressure sensor","Journal of Materials Chemistry C","2015","3","","7788","7791","10.1039/C5TC01005E","","","1.54178","CuKα","","0.1164","0.0918","","","0.2413","0.2694","","","","","","1.053","","","","has coordinates,has disorder","219060","2020-10-21","18:00:00",""
"7234325","9.4585","0.0004","10.1452","0.0003","11.4899","0.0005","109.574","0.0013","95.7112","0.0013","116.144","0.0009","891.86","0.06","163","","163","","","","","","","","","5","P -1","-P 1","2","","3?-fluorobiphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H25 F N2 O2 -","- C20 H25 F N2 O2 -","- C40 H50 F2 N4 O4 -","2","1","","Takuya Konno; Hiroki Kudo; Takayuki Ishida","Intermediate-paramagnetic phases with a half and a quarter spin entities in fluorinated biphenyl-3,5-diyl bis(tert-butyl nitroxides)","Journal of Materials Chemistry C","2015","3","","7813","7818","10.1039/C5TC00668F","","","0.71073","MoKα","","","0.0517","","","","0.0515","","","","","","1.083","","","","has coordinates","219061","2020-10-21","18:00:00",""
"7234326","18.697","0.01","10.113","0.006","11.965","0.006","110.81","0.05","95.19","0.04","115.19","0.04","1834","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","2?,5?-difluorobiphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H24 F2 N2 O2 -","- C20 H24 F2 N2 O2 -","- C80 H96 F8 N8 O8 -","4","2","","Takuya Konno; Hiroki Kudo; Takayuki Ishida","Intermediate-paramagnetic phases with a half and a quarter spin entities in fluorinated biphenyl-3,5-diyl bis(tert-butyl nitroxides)","Journal of Materials Chemistry C","2015","3","","7813","7818","10.1039/C5TC00668F","","","0.71073","MoKα","","","0.0596","","","","0.0795","","","","","","1.054","","","","has coordinates","219061","2020-10-21","18:00:00",""
"7234327","9.549","0.004","10.244","0.005","12.036","0.005","111.13","0.04","93.65","0.03","116.77","0.03","943.7","0.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","2?,5?-difluorobiphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H24 F2 N2 O2 -","- C20 H24 F2 N2 O2 -","- C40 H48 F4 N4 O4 -","2","1","","Takuya Konno; Hiroki Kudo; Takayuki Ishida","Intermediate-paramagnetic phases with a half and a quarter spin entities in fluorinated biphenyl-3,5-diyl bis(tert-butyl nitroxides)","Journal of Materials Chemistry C","2015","3","","7813","7818","10.1039/C5TC00668F","","","0.71073","MoKα","","","0.0689","","","","0.0822","","","","","","0.997","","","","has coordinates","219061","2020-10-21","18:00:00",""
"7234328","10.4681","0.0004","10.4451","0.0004","15.8449","0.0006","90","","104.194","0.004","90","","1679.6","0.11","250","2","250","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26.3 H26.7 Au2 Fe N7.5 O1.8 -","- C20 H12 Au2 Fe N6 -","- C40 H24 Au4 Fe2 N12 -","2","0.5","","Jin-Yan Li; Chun-Ting He; Yan-Cong Chen; Ze-Min Zhang; Wei Liu; Zhao-Ping Ni; Ming-Liang Tong","Tunable cooperativity in a spin-crossover Hoffman-like metal-organic framework material by aromatic guests","Journal of Materials Chemistry C","2015","3","","7830","7835","10.1039/C5TC00432B","","","1.54178","CuKα","","0.0641","0.0557","","","0.1641","0.1701","","","","","","1.085","","","","has coordinates,has disorder","219062","2020-10-21","18:00:00",""
"7234329","10.1153","0.0003","10.0824","0.0003","15.4366","0.0006","90","","100.79","0.004","90","","1546.49","0.09","95","2","95","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26.3 H26.7 Au2 Fe N7.5 O1.8 -","- C20 H12 Au2 Fe N6 -","- C40 H24 Au4 Fe2 N12 -","2","0.5","","Jin-Yan Li; Chun-Ting He; Yan-Cong Chen; Ze-Min Zhang; Wei Liu; Zhao-Ping Ni; Ming-Liang Tong","Tunable cooperativity in a spin-crossover Hoffman-like metal-organic framework material by aromatic guests","Journal of Materials Chemistry C","2015","3","","7830","7835","10.1039/C5TC00432B","","","1.54178","CuKα","","0.0605","0.0533","","","0.1534","0.1606","","","","","","1.094","","","","has coordinates,has disorder","219062","2020-10-21","18:00:00",""
"7234330","23.784","0.007","14.518","0.001","15.534","0.0019","90","","127.854","0.005","90","","4235.2","1.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14.5 Fe N14 O1.25 -","- C18 H14.5 Fe N14 O1.25 -","- C144 H116 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0383","0.0323","","","0.0851","0.0907","","","","","","1.049","","","","has coordinates,has disorder","219063","2020-10-21","18:00:00",""
"7234331","23.709","0.001","14.472","0.002","15.326","0.049","90","","127.617","0.014","90","","4165","13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14.5 Fe N14 O1.25 -","- C18 H14.5 Fe N14 O1.25 -","- C144 H116 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0956","0.0756","","","0.153","0.1693","","","","","","1.111","","","","has coordinates,has disorder","219063","2020-10-21","18:00:00",""
"7234332","24.495","0.016","14.671","0.003","16.712","0.009","90","","131.374","0.024","90","","4507","4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.25 H17 Fe N14 O1.25 -","- C19.25 H17 Fe N14 O1.25 -","- C154 H136 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0367","0.0338","","","0.1001","0.103","","","","","","1.046","","","","has coordinates","219063","2020-10-21","18:00:00",""
"7234333","23.843","0.005","14.824","0.003","15.571","0.002","90","","129.178","0.009","90","","4266.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.25 H17 Fe N14 O1.25 -","- C19.25 H17 Fe N14 O1.25 -","- C154 H136 Fe8 N112 O10 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0484","0.0458","","","0.1231","0.1254","","","","","","1.079","","","","has coordinates,has disorder","219063","2020-10-21","18:00:00",""
"7234334","24.389","0.049","14.586","0.005","16.985","0.021","90","","131.227","0.038","90","","4544","11","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Fe N14 O -","- C20 H18 Fe N14 O -","- C160 H144 Fe8 N112 O8 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0767","0.0514","","","0.1429","0.1635","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234335","23.815","0.029","14.299","0.005","17.265","0.005","90","","131.676","0.033","90","","4391","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Fe N14 O -","- C20 H18 Fe N14 O -","- C160 H144 Fe8 N112 O8 -","8","1","","Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini","Multi-modal sensing in spin crossover compounds","Journal of Materials Chemistry C","2015","3","","7836","7844","10.1039/C5TC00845J","","","0.7","Synchrotron","","0.0879","0.0596","","","0.1573","0.1933","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234336","11.53","0.002","15.84","0.003","12.19","0.002","90","","103.79","0.03","90","","2162.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FeII(DMIP)2(NCS)2]","","","- C40 H44 Cl2 Fe N16 S2 -","- C40 H44 Cl2 Fe N16 S2 -","- C80 H88 Cl4 Fe2 N32 S4 -","2","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.0919","0.0825","","","0.1984","0.2052","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234337","11.443","0.002","15.924","0.003","12.05","0.002","90","","103.92","0.03","90","","2131.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[FeII(DMIP)2(NCSe)2]","","","- C40 H44 Cl2 Fe N16 Se2 -","- C40 H44 Cl2 Fe N16 Se2 -","- C80 H88 Cl4 Fe2 N32 Se4 -","2","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.0956","0.0638","","","0.1585","0.1757","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234338","21.5412","0.0009","14.7267","0.0006","17.567","0.0007","90","","90","","90","","5572.8","0.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCS)2]","","","- C52 H72 Fe N18 S2 -","- C52 H72 Fe N18 S2 -","- C208 H288 Fe4 N72 S8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.0534","0.0357","","","0.0785","0.0863","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234339","21.5709","0.0015","14.7251","0.0007","17.349","0.002","90","","90","","90","","5510.6","0.8","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.1396","0.07","","","0.1714","0.2254","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234340","21.4283","0.0011","14.7993","0.0007","17.6804","0.0013","90","","90","","90","","5606.9","0.6","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.1207","0.0528","","","0.1","0.1311","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234341","21.4596","0.0012","14.8312","0.0007","17.8149","0.0014","90","","90","","90","","5670","0.6","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[FeII(DPDT)2(NCSe)2]","","","- C52 H72 Fe N18 Se2 -","- C52 H72 Fe N18 Se2 -","- C208 H288 Fe4 N72 Se8 -","4","0.5","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","MoKα","","0.131","0.0498","","","0.0998","0.1344","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234342","33.105","0.007","27.231","0.005","18.266","0.004","90","","105.29","0.03","90","","15884","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[FeII(DHDT)2(NCS)2]","","","- C76 H120 Fe N18 S2 -","- C76 H120 Fe N18 S2 -","- C608 H960 Fe8 N144 S16 -","8","1","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.1272","0.1201","","","0.3258","0.3291","","","","","","1.121","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234343","8.928","0.0018","27.219","0.005","32.757","0.007","90","","90","","90","","7960","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[CoII(DHDT)2(NCS)2]","","","- C76 H120 Co N18 S2 -","- C76 H120 Co N18 S2 -","- C304 H480 Co4 N72 S8 -","4","1","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.0743","0.0513","","","0.122","0.1365","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234344","15.933","0.003","24.42","0.005","28.254","0.006","112.77","0.03","101.58","0.03","96.26","0.03","9716","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[Co(DODT)2(NCS)2]","","","- C92 H152 Co N18 S2 -","- C92 H149 Co N18 S2 -","- C368 H596 Co4 N72 S8 -","4","2","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.1828","0.1304","","","0.3565","0.3986","","","","","","1.376","","","","has coordinates,has disorder","219064","2020-10-21","18:00:00",""
"7234345","22.776","0.003","13.616","0.002","35.453","0.005","90","","97.2283","0.0019","90","","10907","3","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Fe N6 Ni2 S24 -","- C38 H22 Fe N6 Ni2 S24 -","- C304 H176 Fe8 N48 Ni16 S192 -","8","1","","Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga","Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione)","Journal of Materials Chemistry C","2015","3","","7858","7864","10.1039/C5TC00859J","","","0.71073","MoKα","","0.0513","0.0353","","","0.0762","0.0824","","","","","","1.035","","","","has coordinates","219066","2020-10-21","18:00:00",""
"7234346","24.117","0.005","13.501","0.003","35.467","0.007","90","","97.911","0.003","90","","11438","4","400","2","400","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Fe N6 Ni2 S24 -","- C38 H22 Fe N6 Ni2 S24 -","- C304 H176 Fe8 N48 Ni16 S192 -","8","1","","Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga","Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione)","Journal of Materials Chemistry C","2015","3","","7858","7864","10.1039/C5TC00859J","","","0.71073","MoKα","","0.1877","0.0783","","","0.144","0.1838","","","","","","1.048","","","","has coordinates","219066","2020-10-21","18:00:00",""
"7234347","22.892","0.002","13.6036","0.0014","35.684","0.004","90","","96.3714","0.0014","90","","11043.8","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Au2 Fe N6 S24 -","- C38 H22 Au2 Fe N6 S24 -","- C304 H176 Au16 Fe8 N48 S192 -","8","1","","Mitsunobu Okai; Kazuyuki Takahashi; Takahiro Sakurai; Hitoshi Ohta; Takashi Yamamoto; Yasuaki Einaga","Novel Fe(ii) spin crossover complexes involving a chalcogen-bond and pi-stacking interactions with a paramagnetic and nonmagnetic M(dmit)2 anion (M = Ni, Au; dmit = 4,5-dithiolato-1,3-dithiole-2-thione)","Journal of Materials Chemistry C","2015","3","","7858","7864","10.1039/C5TC00859J","","","0.71073","MoKα","","0.0515","0.0354","","","0.0743","0.0801","","","","","","1.032","","","","has coordinates","219066","2020-10-21","18:00:00",""
"7234348","8.8298","0.0006","11.2957","0.0008","10.6572","0.0007","90","","112.828","0.009","90","","979.68","0.13","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H16 Cl2 Co N4 O2 -","- C20 H10 Cl2 Co N4 O2 -","- C40 H20 Cl4 Co2 N8 O4 -","2","0.5","","Ryo Ohtani; Kodai Shimayama; Akio Mishima; Masaaki Ohba; Ryuta Ishikawa; Satoshi Kawata; Masaaki Nakamura; Leonard F. Lindoy; Shinya Hayami","The impact of halogen ions on the guest dependent spin crossover behaviour and porosity of Co(ii) one-dimensional coordination polymers [CoX2(4'-(4-pyridyl)-2,2':6',2''-terpyridine)] (X = Cl and Br)","Journal of Materials Chemistry C","2015","3","","7865","7869","10.1039/C5TC00864F","","","0.71075","MoKα","","0.0515","0.0344","","","0.1103","0.1274","","","","","","1.053","","","","has coordinates","219067","2020-10-21","18:00:00",""
"7234349","8.5932","0.0007","10.7755","0.0008","21.7683","0.0018","90","","97.685","0.013","90","","1997.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 Co N4 O -","- C21 H14 Br2 Co N4 O -","- C84 H56 Br8 Co4 N16 O4 -","4","1","","Ryo Ohtani; Kodai Shimayama; Akio Mishima; Masaaki Ohba; Ryuta Ishikawa; Satoshi Kawata; Masaaki Nakamura; Leonard F. Lindoy; Shinya Hayami","The impact of halogen ions on the guest dependent spin crossover behaviour and porosity of Co(ii) one-dimensional coordination polymers [CoX2(4'-(4-pyridyl)-2,2':6',2''-terpyridine)] (X = Cl and Br)","Journal of Materials Chemistry C","2015","3","","7865","7869","10.1039/C5TC00864F","","","1.54187","CuKα","","0.1322","0.0956","","","0.2324","0.263","","","","","","1.061","","","","has coordinates","219067","2020-10-21","18:00:00",""
"7234350","11.4442","0.0005","12.4056","0.0005","12.5831","0.0006","77.935","0.003","69.6","0.003","62.577","0.003","1483.73","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H31.5 B2 Fe N10 -","- C29.5 H31.5 B2 Fe N10 -","- C59 H63 B4 Fe2 N20 -","2","1","","H. Naggert; J. Rudnik; L. Kipgen; M. Bernien; F. Nickel; L. M. Arruda; W. Kuch; C. Nather; F. Tuczek","Vacuum-evaporable spin-crossover complexes: physicochemical properties in the crystalline bulk and in thin films deposited from the gas phase","Journal of Materials Chemistry C","2015","3","","7870","7877","10.1039/C5TC00930H","","","0.71073","MoKα","","0.052","0.039","","","0.0886","0.0962","","","","","","1.027","","","","has coordinates","219068","2020-10-21","18:00:00",""
"7234351","11.4773","0.0005","12.358","0.0005","12.6893","0.0005","78.624","0.003","69.827","0.003","62.909","0.003","1502.3","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H31.5 B2 Fe N10 -","- C29.5 H31.5 B2 Fe N10 -","- C59 H63 B4 Fe2 N20 -","2","1","","H. Naggert; J. Rudnik; L. Kipgen; M. Bernien; F. Nickel; L. M. Arruda; W. Kuch; C. Nather; F. Tuczek","Vacuum-evaporable spin-crossover complexes: physicochemical properties in the crystalline bulk and in thin films deposited from the gas phase","Journal of Materials Chemistry C","2015","3","","7870","7877","10.1039/C5TC00930H","","","0.71073","MoKα","","0.0578","0.0422","","","0.096","0.1037","","","","","","1.043","","","","has coordinates","219068","2020-10-21","18:00:00",""
"7234352","11.5171","0.0006","12.3371","0.0007","12.7977","0.0007","79.224","0.004","69.756","0.004","63.512","0.004","1525.82","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H31.5 B2 Fe N10 -","- C26 H28 B2 Fe N10 -","- C52 H56 B4 Fe2 N20 -","2","1","","H. Naggert; J. Rudnik; L. Kipgen; M. Bernien; F. Nickel; L. M. Arruda; W. Kuch; C. Nather; F. Tuczek","Vacuum-evaporable spin-crossover complexes: physicochemical properties in the crystalline bulk and in thin films deposited from the gas phase","Journal of Materials Chemistry C","2015","3","","7870","7877","10.1039/C5TC00930H","","","0.71073","MoKα","","0.0736","0.0489","","","0.1218","0.1336","","","","","","1.004","","","","has coordinates","219068","2020-10-21","18:00:00",""
"7234364","31.59","0.005","31.59","0.005","18.32","0.004","90","","90","","120","","15833","5","100","2","100","2","","","","","","","","6","P 3","P 3","143","","","","- C188 H180 B8 F32 Fe4 N52 -","- C170.5 H153.75 B7.5 F30 Fe4 N43.25 -","- C511.5 H461.25 B22.5 F90 Fe12 N129.75 -","3","1","","Li Li; Naoto Saigo; Yingjie Zhang; Daniel J. Fanna; Nicholas D. Shepherd; Jack K. Clegg; Rongkun Zheng; Shinya Hayami; Leonard F. Lindoy; Janice R. Aldrich-Wright; Chun-Guang Li; Jason K. Reynolds; David G. Harman; Feng Li","A large spin-crossover [Fe4L4]8+ tetrahedral cage","Journal of Materials Chemistry C","2015","3","","7878","7882","10.1039/C5TC00991J","","","0.7108","silicondoublecrystalmonocromatedsynchrotron","","0.1038","0.0961","","","0.2485","0.258","","","","","","1.077","","","","has coordinates,has disorder","219092","2020-10-21","18:00:00",""
"7234365","11.4182","0.0005","13.3351","0.0007","13.888","0.0008","85.289","0.004","68.183","0.004","66.115","0.004","1789.21","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) di-tetrafluoroborate monohydrate","","- C30 H34 B2 F8 Fe N12 O S2 -","- C30 H34 B2 F8 Fe N12 O S2 -","- C60 H68 B4 F16 Fe2 N24 O2 S4 -","2","1","","Laurynas Pukenas; Florence Benn; Edmund Lovell; Amedeo Santoro; Laurence J. Kershaw Cook; Malcolm A. Halcrow; Stephen D. Evans","Bead-like structures and self-assembled monolayers from 2,6-dipyrazolylpyridines and their iron(ii) complexes","Journal of Materials Chemistry C","2015","3","","7890","7896","10.1039/C5TC01233C","","","0.71073","MoKα","","0.0691","0.0564","","","0.1313","0.1421","","","","","","1.035","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234366","11.5334","0.0006","13.2237","0.0007","14.0842","0.0008","85.594","0.004","68.23","0.005","65.418","0.005","1806.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) diperchlorate hydrate (1/0.33)","","- C30 H32.66 Cl2 Fe N12 O8.33 S2 -","- C30 H32 Cl2 Fe N12 O8.33 S2 -","- C60 H64 Cl4 Fe2 N24 O16.66 S4 -","2","1","","Laurynas Pukenas; Florence Benn; Edmund Lovell; Amedeo Santoro; Laurence J. Kershaw Cook; Malcolm A. Halcrow; Stephen D. Evans","Bead-like structures and self-assembled monolayers from 2,6-dipyrazolylpyridines and their iron(ii) complexes","Journal of Materials Chemistry C","2015","3","","7890","7896","10.1039/C5TC01233C","","","0.71073","MoKα","","0.0948","0.0584","","","0.0994","0.1158","","","","","","1.046","","","","has coordinates,has disorder","219093","2020-10-21","18:00:00",""
"7234367","12.4186","0.0007","13.3433","0.0007","14.2652","0.0006","75.472","0.004","67.419","0.005","64.19","0.005","1954.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) bis-trifluoromethanesulfonate","","- C32 H32 F6 Fe N12 O6 S4 -","- C32 H32 F6 Fe N12 O6 S4 -","- C64 H64 F12 Fe2 N24 O12 S8 -","2","1","","Laurynas Pukenas; Florence Benn; Edmund Lovell; Amedeo Santoro; Laurence J. Kershaw Cook; Malcolm A. Halcrow; Stephen D. Evans","Bead-like structures and self-assembled monolayers from 2,6-dipyrazolylpyridines and their iron(ii) complexes","Journal of Materials Chemistry C","2015","3","","7890","7896","10.1039/C5TC01233C","","","0.71073","MoKα","","0.0719","0.052","","","0.1037","0.1189","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234368","12.5624","0.0005","24.0375","0.001","26.6188","0.0011","74.498","0.004","79.058","0.004","83.756","0.003","7590.5","0.6","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C288 H240 N60 Ni12 S48 -","12","6","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.1132","0.063","","","0.171","0.2238","","","","","","0.847","","","","has coordinates","219094","2020-10-21","18:00:00",""
"7234369","12.5675","0.0004","24.0765","0.0007","26.612","0.0008","74.5","0.003","78.987","0.003","83.749","0.003","7602.3","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C288 H240 N60 Ni12 S48 -","12","6","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0699","0.0551","","","0.1429","0.1562","","","","","","1.031","","","","has coordinates","219094","2020-10-21","18:00:00",""
"7234370","12.5916","0.0005","24.3127","0.0009","26.5376","0.0009","74.657","0.003","79.235","0.003","84.044","0.003","7684","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C288 H240 N60 Ni12 S48 -","12","6","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0861","0.0615","","","0.1617","0.1913","","","","","","0.883","","","","has coordinates","219094","2020-10-21","18:00:00",""
"7234371","9.1729","0.0006","11.846","0.0008","13.1452","0.0009","72.777","0.006","80.246","0.006","72.508","0.006","1296.17","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0636","0.057","","","0.1464","0.1541","","","","","","1.061","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234372","9.2268","0.0006","11.921","0.0009","13.1309","0.001","72.801","0.007","80.517","0.006","72.197","0.006","1309.25","0.18","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0701","0.0611","","","0.1539","0.1664","","","","","","1.057","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234373","9.2682","0.0014","11.98","0.0014","13.0643","0.0016","72.936","0.004","80.962","0.004","71.93","0.003","1314.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","0.71073","MoKα","","0.0801","0.0471","","","0.1101","0.1193","","","","","","1.025","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234374","9.3162","0.0009","12.091","0.0011","13.0809","0.0013","73.081","0.008","81.247","0.008","71.461","0.008","1333.6","0.2","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.0881","0.0669","","","0.1753","0.2009","","","","","","1.022","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234375","9.3555","0.0011","12.196","0.0012","13.0415","0.0014","73.212","0.009","81.693","0.009","71.004","0.01","1344.9","0.3","400","2","400","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N5 Ni S4 -","- C24 H20 N5 Ni S4 -","- C48 H40 N10 Ni2 S8 -","2","1","","Wei-Hua Ning; Lu Zhai; Jian-Lan Liu; Xiao-Ming Ren; Katsuya Ichihashi; Sadafumi Nishihara; Katsuya Inoue","Multiple structural transformations coupled with switchable magnetic and dielectric responses in an amphidynamic crystal of 4'-tert-butylbenzylpyridinium bis(maleonitriledithiolate)nickelate","Journal of Materials Chemistry C","2015","3","","7906","7915","10.1039/C5TC00676G","","","1.54178","CuKα","","0.1089","0.0745","","","0.1887","0.2462","","","","","","1.01","","","","has coordinates,has disorder","219094","2020-10-21","18:00:00",""
"7234376","4.084","0.001","12.918","0.003","22.854","0.006","101.906","0.019","91.824","0.02","93.995","0.02","1175.6","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[NiL26a]","","","- C26 H24 N4 Ni O6 -","- C26 H24 N4 Ni O6 -","- C52 H48 N8 Ni2 O12 -","2","1","","Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber","Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change","Journal of Materials Chemistry C","2015","3","","7925","7935","10.1039/C5TC00837A","","","0.71069","MoKα","","0.1498","0.0497","","","0.072","0.0884","","","","","","0.68","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234377","8.651","0.001","11.798","0.002","18.199","0.003","71.833","0.011","86.734","0.012","88.122","0.012","1761.8","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL26a(EtOH)]2CHCl3","","","- C30 H32 Cl6 Cu N4 O7 -","- C30 H32 Cl6 Cu N4 O7 -","- C60 H64 Cl12 Cu2 N8 O14 -","2","1","","Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber","Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change","Journal of Materials Chemistry C","2015","3","","7925","7935","10.1039/C5TC00837A","","","0.71069","MoKα","","0.1779","0.1176","","","0.2963","0.3478","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234378","18.6735","0.0002","21.7084","0.0002","28.6619","0.0004","90","","108.87","0.001","90","","10994.3","0.2","119.95","0.1","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C176 H312 Mn2 Mo12 N34 O61 -","- C176 H312 Mn2 Mo12 N34 O61 -","- C352 H624 Mn4 Mo24 N68 O122 -","2","0.5","","Alexandre Abherve; Mario Palacios-Corella; Juan Modesto Clemente-Juan; Raphael Marx; Petr Neugebauer; Joris van Slageren; Miguel Clemente-Leon; Eugenio Coronado","Bimetallic MnIII-FeII hybrid complexes formed by a functionalized MnIII Anderson polyoxometalate coordinated to FeII: observation of a field-induced slow relaxation of magnetization in the MnIII centres and a photoinduced spin-crossover in the FeII centres","Journal of Materials Chemistry C","2015","3","","7936","7945","10.1039/C5TC01089F","","","0.71073","MoKα","","0.073","0.0436","","","0.0925","0.1083","","","","","","1.034","","","","has coordinates,has disorder","219096","2020-10-21","18:00:00",""
"7234379","24.221","0.005","16.6","0.003","16.512","0.003","90","","97.76","0.02","90","","6578","2","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Fe2 Mn Mo6 N14 O32 -","- C38 H44 Fe2 Mn Mo6 N14 O32 -","- C152 H176 Fe8 Mn4 Mo24 N56 O128 -","4","0.5","","Alexandre Abherve; Mario Palacios-Corella; Juan Modesto Clemente-Juan; Raphael Marx; Petr Neugebauer; Joris van Slageren; Miguel Clemente-Leon; Eugenio Coronado","Bimetallic MnIII-FeII hybrid complexes formed by a functionalized MnIII Anderson polyoxometalate coordinated to FeII: observation of a field-induced slow relaxation of magnetization in the MnIII centres and a photoinduced spin-crossover in the FeII centres","Journal of Materials Chemistry C","2015","3","","7936","7945","10.1039/C5TC01089F","","","0.71073","MoKα","","0.1679","0.0953","","","0.2401","0.3045","","","","","","0.991","","","","has coordinates","219096","2020-10-21","18:00:00",""
"7234380","15.629","0.004","48.792","0.011","3.6419","0.0008","90","","90","","90","","2777.2","1.1","400","","400","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0319","","","","0.0837","","","","","","1.083","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234381","15.621","0.004","48.764","0.011","3.6313","0.0008","90","","90","","90","","2766.1","1.1","380","","380","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0305","","","","0.0814","","","","","","1.108","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234382","15.611","0.004","48.719","0.011","3.6202","0.0008","90","","90","","90","","2753.4","1.1","360","","360","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","0.5","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0304","","","","0.0783","","","","","","1.103","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234383","15.606","0.003","7.2187","0.0014","25.57","0.006","90","","107.761","0.003","90","","2743.3","1","340","","340","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0466","","","","0.1365","","","","","","1.069","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234384","15.588","0.003","7.1986","0.0012","25.549","0.005","90","","107.737","0.002","90","","2730.6","0.9","320","","320","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0417","","","","0.1179","","","","","","1.046","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234385","15.576","0.003","7.1808","0.0011","25.536","0.004","90","","107.707","0.0019","90","","2720.8","0.8","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0505","","","","0.1383","","","","","","1.066","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234386","15.563","0.003","7.1651","0.0011","25.523","0.004","90","","107.672","0.0018","90","","2711.8","0.8","280","","280","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0604","","","","0.1716","","","","","","1.102","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234387","15.558","0.002","7.1462","0.0009","25.511","0.004","90","","107.67","0.002","90","","2702.5","0.6","250","","250","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.067","","","","0.1939","","","","","","1.093","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234388","15.537","0.002","7.1191","0.0008","25.488","0.004","90","","107.686","0.0018","90","","2686","0.6","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0747","","","","0.2038","","","","","","1.119","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234389","15.519","0.002","7.0945","0.0009","25.462","0.003","90","","107.683","0.0013","90","","2670.9","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 N4 S4 -","- C14 H8 N4 S4 -","- C112 H64 N32 S32 -","8","4","","Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga","Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation","Journal of Materials Chemistry C","2015","3","","7968","7977","10.1039/C5TC01410G","","","0.7107","MoKα","","","0.0762","","","","0.2199","","","","","","1.12","","","","has coordinates","219097","2020-10-21","18:00:00",""
"7234390","6.9855","0.0008","14.6481","0.0017","29.888","0.003","90","","94.743","0.002","90","","3047.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N3 O Pt -","- C36 H39 N3 O Pt -","- C144 H156 N12 O4 Pt4 -","4","1","","Bin Wang; Feng Liang; Hailiang Hu; Yuan Liu; Zhenhui Kang; Liang-Sheng Liao; Jian Fan","Strongly phosphorescent platinum(ii) complexes supported by tetradentate benzazole-containing ligands","Journal of Materials Chemistry C","2015","3","","8212","8218","10.1039/C5TC01449B","","","0.71073","MoKα","","0.0893","0.0521","","","0.0992","0.1067","","","","","","1.012","","","","has coordinates","219098","2020-10-21","18:00:00",""
"7234397","11.083","0.003","11.083","0.003","5.5752","0.0017","90","","90","","90","","684.8","0.3","301","2","301","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ru0.64 Sb2.36 Zr5 -","- Ru0.642 Sb2.358 Zr5 -","- Ru2.568 Sb9.432 Zr20 -","4","0.125","","Weiwei Xie; Huixia Luo; Brendan F. Phelan; Robert J. Cava","Zr5Sb3-xRux, a new superconductor in the W5Si3 structure type","Journal of Materials Chemistry C","2015","3","","8235","8240","10.1039/C5TC01818H","","","0.71073","MoKα","","0.0121","0.01","","","0.0195","0.0198","","","","","","1.175","","","","has coordinates","219115","2020-10-21","18:00:00",""
"7234398","8.148","0.0012","8.148","0.0012","9.394","0.0019","90","","90","","120","","540.11","0.16","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Au7 Sn3 Y3 -","- Au7 Sn3 Y3 -","- Au14 Sn6 Y6 -","2","0.166667","","Alessia Provino; Simon Steinberg; Volodymyr Smetana; Ruta Kulkarni; Sudesh K. Dhar; Pietro Manfrinetti; Anja-Verena Mudring","Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties","Journal of Materials Chemistry C","2015","3","","8311","8321","10.1039/C5TC00884K","","","0.71073","MoKα","","0.0455","0.0295","","","0.0597","0.0645","","","","","","1.049","","","","has coordinates","219116","2020-10-21","18:00:00",""
"7234399","8.185","0.003","8.185","0.003","9.415","0.003","90","","90","","120","","546.2","0.3","296","2","296","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Au7 Gd3 Sn3 -","- Au7 Gd3 Sn3 -","- Au14 Gd6 Sn6 -","2","0.166667","","Alessia Provino; Simon Steinberg; Volodymyr Smetana; Ruta Kulkarni; Sudesh K. Dhar; Pietro Manfrinetti; Anja-Verena Mudring","Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties","Journal of Materials Chemistry C","2015","3","","8311","8321","10.1039/C5TC00884K","","","0.71073","MoKα","","0.0394","0.0295","","","0.0593","0.0622","","","","","","1.096","","","","has coordinates","219116","2020-10-21","18:00:00",""
"7234400","34.743","0.007","6.907","0.0014","16.066","0.003","90","","110.18","0.03","90","","3618.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-(diphenylamino)-2-methoxybenzylidene)malononitrile","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","1","","P. S. Hariharan; Dohyun Moon; Savarimuthu Philip Anthony","Reversible fluorescence switching and topochemical conversion in an organic AEE material: polymorphism, defection and nanofabrication mediated fluorescence tuning","Journal of Materials Chemistry C","2015","3","","8381","8388","10.1039/C5TC01369K","","","0.60999","synchrotron","","0.0405","0.0383","","","0.1068","0.1085","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234401","16.858","0.003","12.594","0.003","17.493","0.004","90","","98.44","0.03","90","","3673.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-(diphenylamino)-2-methoxybenzylidene)malononitrile","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","1","","P. S. Hariharan; Dohyun Moon; Savarimuthu Philip Anthony","Reversible fluorescence switching and topochemical conversion in an organic AEE material: polymorphism, defection and nanofabrication mediated fluorescence tuning","Journal of Materials Chemistry C","2015","3","","8381","8388","10.1039/C5TC01369K","","","0.60999","synchrotron","","0.0408","0.0389","","","0.1088","0.1106","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234402","10.8792","0.0011","13.1682","0.0011","17.0596","0.0018","90","","108.57","0.004","90","","2316.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Eu2 N8 O34 P6 -","- C18 H64 Eu2 N8 O34 P6 -","- C36 H128 Eu4 N16 O68 P12 -","2","0.5","","Min Ren; Carlos D. S. Brites; Song-Song Bao; Rute A. S. Ferreira; Li-Min Zheng; Luis D. Carlos","A cryogenic luminescent ratiometric thermometer based on a lanthanide phosphonate dimer","Journal of Materials Chemistry C","2015","3","","8480","8484","10.1039/C5TC01468A","","","0.71073","MoKα","","0.0874","0.0437","","","0.0552","0.0609","","","","","","0.961","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234403","10.8448","0.0008","13.1903","0.001","16.9763","0.0015","90","","108.512","0.002","90","","2302.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 N8 O34 P6 Tb2 -","- C18 H64 N8 O34 P6 Tb2 -","- C36 H128 N16 O68 P12 Tb4 -","2","0.5","","Min Ren; Carlos D. S. Brites; Song-Song Bao; Rute A. S. Ferreira; Li-Min Zheng; Luis D. Carlos","A cryogenic luminescent ratiometric thermometer based on a lanthanide phosphonate dimer","Journal of Materials Chemistry C","2015","3","","8480","8484","10.1039/C5TC01468A","","","0.71073","MoKα","","0.0854","0.0412","","","0.0623","0.0722","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234404","7.2645","0.0002","17.091","0.004","6.6772","0.0002","90","","90","","90","","829","0.2","328","2","328","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.25","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0343","0.0296","","","0.0853","0.0895","","","","","","1.018","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7234405","7.196","0.0002","17.075","0.004","6.6494","0.0005","90","","90","","90","","817","0.2","253","2","253","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.25","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0272","0.0242","","","0.058","0.0597","","","","","","1.025","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7234406","17.083","0.004","7.1446","0.0003","6.6374","0.0003","90","","90.232","0.002","90","","810.1","0.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C3 H4 Cd Cl3 N S -","- C3 H4 Cd Cl3 N S -","- C12 H16 Cd4 Cl12 N4 S4 -","4","0.5","","Guang-Quan Mei; Wei-Qiang Liao","Structural phase transitions coupled with prominent dielectric anomalies and dielectric relaxation in a one-dimensional organic-inorganic hybrid compound [C3H4NS][CdCl3]","Journal of Materials Chemistry C","2015","3","","8535","8541","10.1039/C5TC02023A","","","0.71073","MoKα","","0.0643","0.0531","","","0.1267","0.1305","","","","","","1.043","","","","has coordinates","219120","2020-10-21","18:00:00",""
"7234407","14.0666","0.0003","4.38905","0.00008","11.9563","0.0003","90","","95.3328","0.0007","90","","734.98","0.03","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-diiodoindigo","","- C16 H8 I2 N2 O2 -","- C16 H8 I2 N2 O2 -","- C32 H16 I4 N4 O4 -","2","0.5","","Oratai Pitayatanakul; Kodai Iijima; Minoru Ashizawa; Tadashi Kawamoto; Hidetoshi Matsumoto; Takehiko Mori","An iodine effect in ambipolar organic field-effect transistors based on indigo derivatives","Journal of Materials Chemistry C","2015","3","","8612","8617","10.1039/C5TC01023C","","","1.54187","CuKα","","","0.0449","","","","0.1338","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234408","5.3262","0.0003","13.177","0.0009","34.47","0.002","100.032","0.003","92.318","0.002","95.724","0.003","2366.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 N O6 S3 -","- C46 H49 N O6 S3 -","- C92 H98 N2 O12 S6 -","2","1","","Elumalai Ramachandran; Raghavachari Dhamodharan","Rational design of phenothiazine (PTz) and ethylenedioxythiophene (EDOT) based donor-acceptor compounds with a molecular aggregation breaker for solid state emission in red and NIR regions","Journal of Materials Chemistry C","2015","3","","8642","8648","10.1039/C5TC01423A","","","0.71073","MoKα","","0.1416","0.0793","","","0.2482","0.2921","","","","","","1.062","","","","has coordinates","219122","2020-10-21","18:00:00",""
"7234409","12.725","0.004","19.714","0.006","15.431","0.005","90","","90.046","0.005","90","","3871","2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N4 O2 S2 -","- C24 H14 N4 O2 S2 -","- C192 H112 N32 O16 S16 -","8","2","","Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu","Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies","Journal of Materials Chemistry C","2015","3","","8665","8674","10.1039/C5TC01796C","","","0.71073","MoKα","","0.1277","0.0677","","","0.1682","0.209","","","","","","0.951","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234410","16.1783","0.0017","11.4535","0.0013","15.8616","0.0017","90","","103.364","0.002","90","","2859.5","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O2 S4 -","- C32 H26 N4 O2 S4 -","- C128 H104 N16 O8 S16 -","4","1","","Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu","Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies","Journal of Materials Chemistry C","2015","3","","8665","8674","10.1039/C5TC01796C","","","0.71073","MoKα","","0.0665","0.0456","","","0.1129","0.1287","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234411","9.77","0.002","16.009","0.004","18.723","0.004","90","","97.167","0.004","90","","2905.5","1.1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O2 S4 -","- C32 H26 N4 O2 S4 -","- C128 H104 N16 O8 S16 -","4","1","","Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu","Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies","Journal of Materials Chemistry C","2015","3","","8665","8674","10.1039/C5TC01796C","","","0.71073","MoKα","","0.1676","0.0727","","","0.1637","0.2165","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234412","15.5673","0.0006","16.1758","0.0006","24.8869","0.001","102.37","0.002","91.285","0.002","115.542","0.002","5476.1","0.4","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-(dodecakis(μ~2~-cyano)-dodecacyano- hexakis(bis(3-aminopropyl)amine)-hexa- copper(II)-tri-molybdenum(IV) water solvate)","","- C60 H118 Cu6 Mo3 N42 O8 -","- C60 H118 Cu6 Mo3 N42 O8 -","- C120 H236 Cu12 Mo6 N84 O16 -","2","1","","Olaf Stefanczyk; Anna M. Majcher; Michaf Rams; Wojciech Nitek; Corine Mathoniere; Barbara Sieklucka","Photo-induced magnetic properties of the [CuII(bapa)]2[MoIV(CN)8].7H2O molecular ribbon","Journal of Materials Chemistry C","2015","3","","8712","8719","10.1039/C5TC01889G","","x-ray","0.71073","MoKα","","0.0661","0.0485","","","0.1478","0.1551","","","","","","1.119","","","","has coordinates","219124","2020-10-21","18:00:00",""
"7234413","10.303","0.002","7.5885","0.0015","26.33","0.005","90","","97.75","0.03","90","","2039.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 S -","- C27 H18 N2 S -","- C108 H72 N8 S4 -","4","1","","Jiabao Sun; Pengchong Xue; Jingbo Sun; Peng Gong; Panpan Wang; Ran Lu","Strong blue emissive nanofibers constructed from benzothizole modified tert-butyl carbazole derivative for the detection of volatile acid vapors","Journal of Materials Chemistry C","2015","3","","8888","8894","10.1039/C5TC02012C","","","0.71073","MoKα","","0.2044","0.0985","","","0.2299","0.2844","","","","","","1.048","","","","has coordinates","219125","2020-10-21","18:00:00",""
"7234414","22.612","0.003","11.4854","0.0013","20.156","0.002","90","","99.16","0.002","90","","5167.9","1","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 N4 O8 S2 -","- C58.004 H56.004 N4 O8 S2 -","- C232.016 H224.016 N16 O32 S8 -","4","0.5","","Arthur D. Hendsbee; Seth M. McAfee; Jon-Paul Sun; Theresa M. McCormick; Ian G. Hill; Gregory C. Welch","Phthalimide-based pi-conjugated small molecules with tailored electronic energy levels for use as acceptors in organic solar cells","Journal of Materials Chemistry C","2015","3","","8904","8915","10.1039/C5TC01877C","","","0.71073","MoKα","","0.0918","0.0556","","","0.1422","0.1623","","","","","","1.038","","","","has coordinates,has disorder","287940","2023-12-01","17:20:58",""
"7234415","13.8929","0.0001","8.6826","0.0001","24.1422","0.0002","90","","106.572","0.0004","90","","2791.23","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 S2 Si -","- C32 H36 S2 Si -","- C128 H144 S8 Si4 -","4","1","","Rawad K. Hallani; Karl J. Thorley; Anna K. Hailey; Sean R. Parkin; Yueh-Lin Loo; John E. Anthony","The effect of regioisomerism on the crystal packing and device performance of desymmetrized anthradithiophenes","Journal of Materials Chemistry C","2015","3","","8956","8962","10.1039/C5TC02145F","","","0.71073","MoKα","","0.0955","0.0686","","","0.1991","0.2216","","","","","","1.14","","","","has coordinates,has disorder","219127","2020-10-21","18:00:00",""
"7234416","13.9118","0.0001","8.7857","0.0001","23.9007","0.0002","90","","105.83","0.0003","90","","2810.48","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 S2 Si -","- C32 H36 S2 Si -","- C128 H144 S8 Si4 -","4","1","","Rawad K. Hallani; Karl J. Thorley; Anna K. Hailey; Sean R. Parkin; Yueh-Lin Loo; John E. Anthony","The effect of regioisomerism on the crystal packing and device performance of desymmetrized anthradithiophenes","Journal of Materials Chemistry C","2015","3","","8956","8962","10.1039/C5TC02145F","","","0.71073","MoKα","","0.0993","0.0743","","","0.2189","0.2438","","","","","","1.085","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234417","18.6511","0.0005","19.2711","0.0005","16.3771","0.0004","90","","106.356","0.002","90","","5648.2","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 S2 Si -","- C32 H36 S2 Si -","- C256 H288 S16 Si8 -","8","2","","Rawad K. Hallani; Karl J. Thorley; Anna K. Hailey; Sean R. Parkin; Yueh-Lin Loo; John E. Anthony","The effect of regioisomerism on the crystal packing and device performance of desymmetrized anthradithiophenes","Journal of Materials Chemistry C","2015","3","","8956","8962","10.1039/C5TC02145F","","","1.54178","CuKα","","0.1265","0.0866","","","0.2408","0.2837","","","","","","1.164","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234418","10.213","0.002","9.1955","0.0018","13.667","0.003","90","","105.03","0.03","90","","1239.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 B F2 N4 O -","- C14 H9 B F2 N4 O -","- C56 H36 B4 F8 N16 O4 -","4","1","","Guo-Ping Yong; Chen Shen; Cong Zhang; Yu-Mei Zhao","Morphology-controllable fabrication of organic microcrystals by solid-phase reactions: revealing morphology-sensitive highly efficient phosphorescence and enhanced near-infrared absorption","Journal of Materials Chemistry C","2015","3","","9048","9052","10.1039/C5TC01770J","","","0.71073","MoKα","","0.0965","0.0749","","","0.2081","0.2461","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234419","20.522","0.004","5.1557","0.0009","15.049","0.003","90","","97.992","0.002","90","","1576.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 B Cl F2 N4 O5 -","- C14 H10 B Cl F2 N4 O5 -","- C56 H40 B4 Cl4 F8 N16 O20 -","4","1","","Guo-Ping Yong; Chen Shen; Cong Zhang; Yu-Mei Zhao","Morphology-controllable fabrication of organic microcrystals by solid-phase reactions: revealing morphology-sensitive highly efficient phosphorescence and enhanced near-infrared absorption","Journal of Materials Chemistry C","2015","3","","9048","9052","10.1039/C5TC01770J","","","0.71073","MoKα","","0.0492","0.0409","","","0.113","0.1281","","","","","","1.108","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234420","10.9822","0.0009","17.3332","0.0009","19.1196","0.0008","88.643","0.004","86.828","0.005","81.89","0.005","3597.2","0.4","99.9","0.4","99.9","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 N4 -","- C42 H56 N4 -","- C168 H224 N16 -","4","2","","Zhiming Wang; Han Nie; Zhenqiang Yu; Anjun Qin; Zujin Zhao; Ben Zhong Tang","Multiple stimuli-responsive and reversible fluorescence switches based on a diethylamino-functionalized tetraphenylethene","Journal of Materials Chemistry C","2015","3","","9103","9111","10.1039/C5TC02069G","","x-ray","1.5418","CuKα","","0.0865","0.0475","","","0.0829","0.0936","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234421","8.7524","0.0005","8.7836","0.0005","14.982","0.0008","98.91","0.002","98.117","0.002","92.599","0.002","1123.82","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N8 Se -","- C22 H26 N8 Se -","- C44 H52 N16 Se2 -","2","1","","Zhaojun Liu; Jinghui He; Hao Zhuang; Hua Li; Najun Li; Dongyun Chen; Qingfeng Xu; Jianmei Lu; Keqin Zhang; Lihua Wang","Effect of single atom substitution in benzochalcogendiazole acceptors on the performance of ternary memory devices","Journal of Materials Chemistry C","2015","3","","9145","9153","10.1039/C5TC02274F","","","0.71073","Mokα","","0.0843","0.0603","","","0.1696","0.2001","","","","","","0.795","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234422","10.9996","0.0004","15.5466","0.0007","20.7794","0.001","97.458","0.003","104.211","0.003","109.487","0.003","3159","0.3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H32 N4 -","- C44 H32 N4 -","- C176 H128 N16 -","4","2","","Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang","4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation","Journal of Materials Chemistry C","2015","3","","9191","9196","10.1039/C5TC01657F","","","0.71073","MoKα","","0.2432","0.078","","","0.1405","0.2041","","","","","","0.905","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234423","6.3955","0.0013","19.271","0.004","28.78","0.006","90","","93.751","0.006","90","","3539.5","1.3","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 N4 -","- C46 H36 N4 -","- C184 H144 N16 -","4","1","","Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang","4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation","Journal of Materials Chemistry C","2015","3","","9191","9196","10.1039/C5TC01657F","","","0.71073","MoKα","","0.2386","0.0827","","","0.1344","0.1827","","","","","","0.977","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234424","16.7483","0.0017","8.8132","0.0011","28.185","0.003","90","","95.889","0.003","90","","4138.3","0.8","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H36 Cl2 N4 O2 -","- C52.999 H35.998 Cl1.998 N4 O2 -","- C211.996 H143.992 Cl7.992 N16 O8 -","4","1","","Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang","4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation","Journal of Materials Chemistry C","2015","3","","9191","9196","10.1039/C5TC01657F","","","0.71073","MoKα","","0.1935","0.0925","","","0.2623","0.3381","","","","","","1.071","","","","has coordinates,has disorder","219131","2020-10-21","18:00:00",""
"7234425","8.785","0.002","8.785","0.002","57.646","0.013","90","","90","","90","","4448.9","1.7","110","2","110.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1153","0.0991","","","0.3183","0.3402","","","","","","1.509","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234426","8.715","0.002","8.715","0.002","57.026","0.016","90","","90","","90","","4331.2","1.9","150.15","","150.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1175","0.0997","","","0.3001","0.3178","","","","","","1.153","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234427","8.73","0.004","8.73","0.004","57","0.02","90","","90","","90","","4344","3","180.15","","180.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1663","0.1442","","","0.4238","0.4372","","","","","","1.858","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234428","8.888","0.012","8.888","0.012","57.91","0.08","90","","90","","90","","4575","11","300.15","","300.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","Co(pyterpy)2(PF6)2","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate","","- C40 H28 Co F12 N8 P2 -","- C40 H28 Co F12 N8 P2 -","- C160 H112 Co4 F48 N32 P8 -","4","0.25","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.1894","0.1643","","","0.4576","0.4708","","","","","","1.928","","","","has coordinates,has disorder","219132","2020-10-21","18:00:00",""
"7234429","8.911","0.005","13.921","0.008","24.708","0.015","74.249","0.007","81.736","0.008","85.755","0.007","2917","3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C68 H47 Co N17 O2 -","- C68 H47 Co N17 O2 -","- C136 H94 Co2 N34 O4 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0759","0.0508","","","0.1228","0.1379","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234430","8.941","0.007","13.99","0.011","24.828","0.019","74.116","0.009","82.082","0.01","85.91","0.01","2957","4","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C68 H47 Co N17 O2 -","- C68 H47 Co N17 O2 -","- C136 H94 Co2 N34 O4 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0607","0.0461","","","0.1388","0.156","","","","","","1.091","","","","has coordinates","219132","2020-10-21","18:00:00",""
"7234431","8.981","0.003","13.924","0.004","24.722","0.008","74.006","0.011","81.94","0.011","85.735","0.012","2940.4","1.6","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C68 H47 Co N17 O2 -","- C68 H47 Co N17 O2 -","- C136 H94 Co2 N34 O4 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.058","0.0446","","","0.1187","0.1287","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234432","8.986","0.004","13.909","0.006","24.825","0.011","105.759","0.006","95.448","0.006","94.088","0.006","2957","2","300.15","","300.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_DMF_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol","","- C67.61 H43 Co N17 O1.25 -","- C67.61 H43 Co N17 O1.249 -","- C135.22 H86 Co2 N34 O2.498 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0871","0.0475","","","0.1011","0.1195","","","","","","1.024","","","","has coordinates","219132","2020-10-21","18:00:00",""
"7234433","8.939","0.003","13.632","0.005","24.204","0.008","76.313","0.004","81.95","0.004","87.007","0.004","2836.9","1.7","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","Co(pyterpy)2(TCNQ)2_MeCN_MeOH","Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane acetonitrile methanol","","- C67 H43 Co N17 O -","- C67 H43 Co N17 O -","- C134 H86 Co2 N34 O2 -","2","1","","Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar","Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions","Journal of Materials Chemistry C","2015","3","","9292","9298","10.1039/C5TC01851J","","","0.71073","MoKα","","0.0676","0.0502","","","0.1186","0.1254","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234449","15.4693","0.0008","7.186","0.0003","17.5613","0.0008","90","","111.307","0.005","90","","1818.72","0.16","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.1026","0.0516","","","0.1112","0.1368","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234450","5.1722","0.0004","11.517","0.0011","38.904","0.003","90","","93.669","0.007","90","","2312.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","XB co-crystal","","","- C26 H21 F2 I N3 O2 -","- C26 H21 F2 I N3 O2 -","- C104 H84 F8 I4 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2418","0.0836","","","0.0897","0.1215","","","","","","0.97","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234451","12.4319","0.0013","4.7462","0.0005","31.791","0.003","90","","100.259","0.009","90","","1845.8","0.3","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","2","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2153","0.064","","","0.1263","0.1782","","","","","","0.969","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234452","39.688","0.004","7.41","0.0007","31.521","0.003","90","","93.019","0.008","90","","9257.1","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 F4 I2 N6 O4 -","- C52 H42 F4 I2 N6 O4 -","- C416 H336 F32 I16 N48 O32 -","8","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.259","0.0882","","","0.1057","0.1534","","","","","","0.952","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234453","30.652","0.005","5.3082","0.0009","11.243","0.002","90","","90","","90","","1829.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2245","0.0663","","","0.0764","0.1116","","","","","","0.922","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234454","7.4142","0.0019","16.069","0.004","15.802","0.005","90","","93.08","0.03","90","","1879.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.2948","0.1117","","","0.0936","0.1365","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234455","12.989","0.005","13.783","0.005","12.664","0.005","90","","92.047","0.005","90","","2265.8","1.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F2 I N3 O2 -","- C26 H21 F2 I N3 O2 -","- C104 H84 F8 I4 N12 O8 -","4","1","","F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura","Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization","Journal of Materials Chemistry C","2015","3","","9425","9434","10.1039/C5TC01518A","","","0.71073","MoKα","","0.0719","0.0426","","","0.0625","0.0738","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234456","45.0597","0.0017","45.0597","0.0017","9.1311","0.0003","90","","90","","120","","16055.7","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H30 N3 O P -","- C43 H30 N3 O P -","- C774 H540 N54 O18 P18 -","18","1","","Mingzhi Sun; Liping Zhu; Wenjing Kan; Ying Wei; Dongge Ma; Xuefeng Fan; Wei Huang; Hui Xu","Ternary donor-acceptor phosphine oxide hosts with peculiar high energy gap for efficient blue electroluminescence","Journal of Materials Chemistry C","2015","3","","9469","9478","10.1039/C5TC02029H","","","0.71073","MoKα","","0.0818","0.0623","","","0.172","0.1882","","","","","","1.032","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7234457","7.632","0.0011","8.1788","0.0011","12.7931","0.0017","90","","90","","90","","798.55","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cl3 F2 K2 Sb -","- Cl3 F2 K2 Sb -","- Cl12 F8 K8 Sb4 -","4","1","","Yin Huang; Xianggao Meng; Pifu Gong; Zheshuai Lin; Xingguo Chen; Jingui Qin","A study on K2SbF2Cl3 as a new mid-IR nonlinear optical material: new synthesis and excellent properties","Journal of Materials Chemistry C","2015","3","","9588","9593","10.1039/C5TC01687H","","","0.71073","MoKα","","0.0282","0.0241","","","0.0381","0.0398","","","","","","1.013","","","","has coordinates","219155","2020-10-21","18:00:00",""
"7234458","7.4769","0.0008","18.5766","0.0019","6.759","0.0007","90","","90","","90","","938.79","0.17","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Ag As8 Ba4 Ga5 -","- Ag As8 Ba4 Ga5 -","- Ag2 As16 Ba8 Ga10 -","2","0.25","","Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu","Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential","Journal of Materials Chemistry C","2015","3","","9695","9700","10.1039/C5TC01887K","","","0.71073","MoKα","","0.0213","0.0207","","","0.0496","0.0499","","","","","","1.172","","","","has coordinates","219156","2020-10-21","18:00:00",""
"7234459","7.294","0.009","18.03","0.02","6.557","0.008","90","","90","","90","","862.3","1.8","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Ag Ba4 Ga5 P8 -","- Ag Ba4 Ga5 P8 -","- Ag2 Ba8 Ga10 P16 -","2","0.25","","Ming-yan Pan; Zu-ju Ma; Xiao-cun Liu; Sheng-qing Xia; Xu-tang Tao; Ke-chen Wu","Ba4AgGa5Pn8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential","Journal of Materials Chemistry C","2015","3","","9695","9700","10.1039/C5TC01887K","","","0.71073","MoKα","","0.0488","0.045","","","0.1177","0.1211","","","","","","1.122","","","","has coordinates","219156","2020-10-21","18:00:00",""
"7234460","8.9757","0.0002","9.3007","0.0002","13.5937","0.0003","101.458","0.001","97.316","0.001","106.577","0.001","1045.31","0.04","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C25.5 H16.5 Cl1.5 O2 S2 -","- C25.5 H16.5 Cl1.5 O2 S2 -","- C51 H33 Cl3 O4 S4 -","2","2","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0432","0.0359","","","0.0839","0.093","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234461","7.072","0.0003","19.5933","0.0009","24.3261","0.0011","90","","90","","90","","3370.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H14 N2 S -","- C23 H14 N2 S -","- C184 H112 N16 S8 -","8","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0515","0.0374","","","0.1012","0.1211","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234462","8.8667","0.0003","11.8588","0.0003","15.4264","0.0004","112.252","0.001","95.204","0.001","94.286","0.001","1484.57","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N O2 S -","- C31 H21 N O2 S -","- C62 H42 N2 O4 S2 -","2","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0792","0.0667","","","0.1868","0.194","","","","","","1.111","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234463","7.7816","0.0005","17.2667","0.0011","21.65","0.0013","90","","92.164","0.003","90","","2906.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 Cl6 N3 -","- C31 H21 Cl6 N3 -","- C124 H84 Cl24 N12 -","4","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","","0.71073","MoKα","","0.0632","0.0446","","","0.1185","0.1324","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234464","8.5755","0.0006","10.4262","0.0006","11.8511","0.0008","82.589","0.003","88.377","0.003","89.054","0.003","1050.24","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O -","- C29 H21 N3 O -","- C58 H42 N6 O2 -","2","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0689","0.0478","","","0.1194","0.1424","","","","","","1.097","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234465","26.4588","0.0006","20.8628","0.0006","24.7745","0.0007","90","","109.148","0.002","90","","12919","0.6","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H158 Dy N24 Tb -","- C150 H158 Dy N24 Tb -","- C600 H632 Dy4 N96 Tb4 -","4","1","","Yanhua Lan; Svetlana Klyatskaya; Mario Ruben; Olaf Fuhr; Wolfgang Wernsdorfer; Andrea Candini; Valdis Corradini; Alberto Lodi Rizzini; Umberto del Pennino; Filippo Troiani; Loic Joly; David Klar; Heiko Wende; Marco Affronte","Magnetic interplay between two different lanthanides in a tris-phthalocyaninato complex: a viable synthetic route and detailed investigation in the bulk and on the surface","Journal of Materials Chemistry C","2015","3","","9794","9801","10.1039/C5TC02011E","","","0.71073","MoKα","","0.0824","0.0392","","","0.0865","0.0961","","","","","","0.849","","","","has coordinates,has disorder","219158","2020-10-21","18:00:00",""
"7234466","8.4034","0.0015","27.567","0.005","4.6422","0.0008","90","","90","","90","","1075.4","0.3","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ba2 Sb2 Se5 -","- Ba2 Sb2 Se5 -","- Ba8 Sb8 Se20 -","4","0.5","","Jian Wang; Kathleen Lee; Kirill Kovnir","Synthesis, crystal structure, and thermoelectric properties of two new barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11","Journal of Materials Chemistry C","2015","3","","9811","9818","10.1039/C5TC01721A","","","0.71073","MoKα","","0.0423","0.0313","","","0.0607","0.0655","","","","","","1.062","","","","has coordinates","219159","2020-10-21","18:00:00",""
"7234467","12.4691","0.0015","62.421","0.007","4.6305","0.0005","90","","90","","90","","3604.1","0.7","90","2","90","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ba6 Sb7 Se16.11 -","- Ba6 Sb7.001 Se16.116 -","- Ba24 Sb28.004 Se64.464 -","4","0.5","","Jian Wang; Kathleen Lee; Kirill Kovnir","Synthesis, crystal structure, and thermoelectric properties of two new barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11","Journal of Materials Chemistry C","2015","3","","9811","9818","10.1039/C5TC01721A","","","0.71073","MoKα","","0.0511","0.0355","","","0.0606","0.0655","","","","","","1.069","","","","has coordinates","219159","2020-10-21","18:00:00",""
"7234468","10.1577","0.0004","10.6488","0.0004","17.1688","0.0006","84.169","0.002","88.405","0.002","63.987","0.002","1660.04","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H92 N4 O2 Si4 -","- C70 H92 N4 O2 Si4 -","- C70 H92 N4 O2 Si4 -","1","0.5","","Junbo Li; Jianwei Miao; Guankui Long; Jing Zhang; Yongxin Li; Rakesh Ganguly; Yang Zhao; Yi Liu; Bin Liu; Qichun Zhang","N-Heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors","Journal of Materials Chemistry C","2015","3","","9877","9884","10.1039/C5TC02010G","","","0.71073","MoKα","","0.1538","0.0772","","","0.1969","0.2499","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234469","7.9319","0.0008","14.4277","0.0012","18.4216","0.0016","110.316","0.003","97.166","0.003","101.674","0.003","1892","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H102 N6 O2 Si4 -","- C82 H102 N6 O2 Si4 -","- C82 H102 N6 O2 Si4 -","1","0.5","","Junbo Li; Jianwei Miao; Guankui Long; Jing Zhang; Yongxin Li; Rakesh Ganguly; Yang Zhao; Yi Liu; Bin Liu; Qichun Zhang","N-Heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors","Journal of Materials Chemistry C","2015","3","","9877","9884","10.1039/C5TC02010G","","","0.71073","MoKα","","0.1398","0.0611","","","0.1056","0.1346","","","","","","0.993","","","","has coordinates","219160","2020-10-21","18:00:00",""
"7234471","9.4209","0.0006","12.0079","0.0011","21.6114","0.0018","75.523","0.008","85.392","0.006","73.484","0.007","2269.4","0.3","293","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H36 N2 -","- C55 H36 N2 -","- C110 H72 N4 -","2","1","","Thaksen Jadhav; Bhausaheb Dhokale; Shaikh M. Mobin; Rajneesh Misra","Aggregation induced emission and mechanochromism in pyrenoimidazoles","Journal of Materials Chemistry C","2015","3","","9981","9988","10.1039/C5TC02181B","","","1.5418","CuKα","","0.1268","0.1041","","","0.3147","0.3349","","","","","","1.153","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234472","6.055","0.003","9.804","0.004","13.814","0.002","90.34","","94.2","","103.93","","793.6","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.1232","0.0494","","","0.0931","0.109","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234473","6.668","0.002","11.794","0.003","28.968","0.009","90","","90.446","0.005","90","","2278","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 B4 O8 -","- C46 H62 B4 O8 -","- C92 H124 B8 O16 -","2","0.5","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.1003","0.0757","","","0.1694","0.1804","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234474","23.161","0.013","9.844","0.006","4.833","0.003","90","","90","","90","","1101.9","1.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H9 I -","- C14 H9 I -","- C56 H36 I4 -","4","0.5","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.0349","0.0334","","","0.0778","0.0789","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234475","9.831","0.005","9.58","0.004","10.09","0.003","90","","105.875","0.019","90","","914","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H16 S2 -","- C22 H16 S2 -","- C44 H32 S4 -","2","1","","Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang","Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors","Journal of Materials Chemistry C","2015","3","","10074","10078","10.1039/C5TC02298C","","","0.71073","MoKα","","0.1483","0.1002","","","0.2058","0.2281","","","","","","1.07","","","","has coordinates","219162","2020-10-21","18:00:00",""
"7234476","9.805","0.015","13.501","0.018","13.18","0.02","90","","106.35","0.03","90","","1674","4","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Karattu Chali Naeem; Akhila Subhakumari; Sunil Varughese; Vijayakumar C. Nair","Heteroatom induced contrasting effects on the stimuli responsive properties of anthracene based donor-pi-acceptor fluorophores","Journal of Materials Chemistry C","2015","3","","10225","10231","10.1039/C5TC02062J","","","0.71073","MoKα","","0.1307","0.061","","","0.1466","0.1886","","","","","","0.759","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234477","9.853","0.014","14.006","0.019","12.99","0.02","90","","107.08","0.02","90","","1714","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N S -","- C23 H15 N S -","- C92 H60 N4 S4 -","4","1","","Karattu Chali Naeem; Akhila Subhakumari; Sunil Varughese; Vijayakumar C. Nair","Heteroatom induced contrasting effects on the stimuli responsive properties of anthracene based donor-pi-acceptor fluorophores","Journal of Materials Chemistry C","2015","3","","10225","10231","10.1039/C5TC02062J","","","0.71073","MoKα","","0.1057","0.0811","","","0.2107","0.2467","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234478","11.128","0.0003","8.6691","0.0002","21.0368","0.0004","90","","97.996","0.002","90","","2009.68","0.08","292.14","0.1","292.14","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Br N2 O3 -","- C23 H15 Br N2 O3 -","- C92 H60 Br4 N8 O12 -","4","1","","Rong Zheng; Xiaofei Mei; Zhenghuan Lin; Yan Zhao; Huimei Yao; Wei Lv; Qidan Ling","Strong CIE activity, multi-stimuli-responsive fluorescence and data storage application of new diphenyl maleimide derivatives","Journal of Materials Chemistry C","2015","3","","10242","10248","10.1039/C5TC02374B","","x-ray","1.54184","CuKα","","0.06","0.0472","","","0.1321","0.149","","","","","","1.0428","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234479","5.6898","0.000033","5.6898","0.000033","11.31972","0.000097","90","","90","","90","","366.463","0.004","298","","298","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2.1 Fe0.9 Se4 Sn -","- Cu2.1 Fe0.9 Se4 Sn -","- Cu4.2 Fe1.8 Se8 Sn2 -","2","0.125","","Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas","Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides","Journal of Materials Chemistry C","2015","3","40","10436","10441","10.1039/C5TC01606A","powder diffraction","x-ray","1.53475","CuKα","","","","","","","","0.02003","","2.004","","","","","","","has coordinates","219189","2020-10-21","18:00:00",""
"7234480","5.692729","0.000042","5.692729","0.000042","11.29822","0.00012","90","","90","","90","","366.143","0.005","298","","298","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2.2 Fe0.8 Se4 Sn -","- Cu2.2 Fe0.8 Se4 Sn -","- Cu4.4 Fe1.6 Se8 Sn2 -","2","0.125","","Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas","Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides","Journal of Materials Chemistry C","2015","3","40","10436","10441","10.1039/C5TC01606A","powder diffraction","x-ray","1.53475","CuKα","","","","","","","","0.01945","","1.606","","","","","","","has coordinates","219189","2020-10-21","18:00:00",""
"7234481","5.682492","0.000046","5.682492","0.000046","11.32378","0.00014","90","","90","","90","","365.653","0.006","298","","298","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2.2 Fe0.6 Se4 Sn Zn0.2 -","- Cu2.2 Fe0.6 Se4 Sn Zn0.2 -","- Cu4.4 Fe1.2 Se8 Sn2 Zn0.4 -","2","0.125","","Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas","Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides","Journal of Materials Chemistry C","2015","3","40","10436","10441","10.1039/C5TC01606A","powder diffraction","x-ray","1.53475","CuKα","","","","","","","","0.0262","","1.546","","","","","","","has coordinates","219189","2020-10-21","18:00:00",""
"7234482","8.9166","0.0003","8.9166","0.0003","8.9166","0.0003","90","","90","","90","","708.92","0.04","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","GeTe-doped cobalt antimonide","","","- Co Ge0.74 Sb1.53 Te0.74 -","- Co Ge0.741 Sb1.53 Te0.741 -","- Co8 Ge5.928 Sb12.24 Te5.928 -","8","0.166667","","Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler","Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples","Journal of Materials Chemistry C","2015","3","","10525","10533","10.1039/C5TC01509J","","","0.2946","synchrotron","","0.0475","0.0353","","","0.0804","0.0827","","","","","","1.202","","","","has coordinates","219190","2020-10-21","18:00:00",""
"7234483","4.2348","0.0011","4.2348","0.0011","10.373","0.003","90","","90","","120","","161.1","0.08","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","germanium antimony telluride","","","- Ge0.77 Sb0.15 Te -","- Ge0.7693 Sb0.1538 Te -","- Ge2.3079 Sb0.4614 Te3 -","3","0.166667","","Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler","Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples","Journal of Materials Chemistry C","2015","3","","10525","10533","10.1039/C5TC01509J","","","0.2946","synchrotron","","0.0314","0.0314","","","0.0885","0.0885","","","","","","1.055","","","","has coordinates","219190","2020-10-21","18:00:00",""
"7234484","8.2025","0.0016","6.0189","0.0012","15.347","0.003","90","","90.94","0.03","90","","757.6","0.3","173.15","","173.15","","","","","","","","","2","P 1 21 1","P 2yb","4","NaAnt","2-(2-naphthyl) anthracene","","- C24 H16 -","- C24 H16 -","- C48 H32 -","2","1","","Jie Li; Jie Liu; Yonggang Zhen; Lingqiang Meng; Ying Wang; Huanli Dong; Wenping Hu","Naphthyl substituted anthracene combining charge transport with light emission","Journal of Materials Chemistry C","2015","3","","10695","10698","10.1039/C5TC02254A","","","0.71073","MoKα","","0.0796","0.0717","","","0.167","0.1725","","","","","","1.12","","","","has coordinates,has disorder","301866","2025-08-22","21:38:28",""
"7234485","11.3477","0.0011","17.9505","0.0016","19.3631","0.0018","90","","95.698","0.002","90","","3924.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl4 F6 N6 Pt -","- C38 H34 Cl4 F6 N6 Pt -","- C152 H136 Cl16 F24 N24 Pt4 -","4","1","","Che-Wei Hsu; Yongbiao Zhao; Hsiu-Hsuan Yeh; Chin-Wei Lu; Cong Fan; Yue Hu; Neil Robertson; Gene-Hsiang Lee; Xiao Wei Sun; Yun Chi","Efficient Pt(ii) emitters assembled from neutral bipyridine and dianionic bipyrazolate: designs, photophysical characterization and the fabrication of non-doped OLEDs","Journal of Materials Chemistry C","2015","3","","10837","10847","10.1039/C5TC02261D","","","0.71073","MoKα","","0.0609","0.0444","","","0.1174","0.1268","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234486","14.7879","0.0006","18.8945","0.0007","23.5291","0.001","90","","90","","90","","6574.3","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H34 Cl2 F6 N6 Pt -","- C30 H34 Cl2 F6 N6 Pt -","- C240 H272 Cl16 F48 N48 Pt8 -","8","1","","Che-Wei Hsu; Yongbiao Zhao; Hsiu-Hsuan Yeh; Chin-Wei Lu; Cong Fan; Yue Hu; Neil Robertson; Gene-Hsiang Lee; Xiao Wei Sun; Yun Chi","Efficient Pt(ii) emitters assembled from neutral bipyridine and dianionic bipyrazolate: designs, photophysical characterization and the fabrication of non-doped OLEDs","Journal of Materials Chemistry C","2015","3","","10837","10847","10.1039/C5TC02261D","","","0.71073","MoKα","","0.0535","0.037","","","0.081","0.0879","","","","","","1.043","","","","has coordinates,has disorder","219192","2020-10-21","18:00:00",""
"7234487","7.4707","0.0012","5.9227","0.001","42.784","0.007","90","","92.76","0.003","90","","1890.9","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 S3 -","- C23.996 H10 S2.996 -","- C95.984 H40 S11.984 -","4","1","","Wenjing Yi; Shuai Zhao; Huiliang Sun; Yuhe Kan; Jianwu Shi; Shisheng Wan; Chunli Li; Hua Wang","Isomers of organic semiconductors based on dithienothiophenes: the effect of sulphur atoms positions on the intermolecular interactions and field-effect performances","Journal of Materials Chemistry C","2015","3","","10856","10861","10.1039/C5TC02287H","","","0.71073","MoKα","","0.1263","0.0742","","","0.2073","0.2533","","","","","","1.013","","","","has coordinates,has disorder","219193","2020-10-21","18:00:00",""
"7234488","10.1449","0.0014","10.1449","0.0014","9.249","0.0018","90","","90","","120","","824.4","0.2","153.15","0.02","153.15","0.02","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Ga2 Se6 Sn -","- Ba Ga2.01 Se6 Sn0.99 -","- Ba3 Ga6.03 Se18 Sn2.97 -","3","0.333333","","Xiaoshuang Li; Chao Li; Pifu Gong; Zheshuai Lin; Jiyong Yao; Yicheng Wu","BaGa2SnSe6: a new phase-matchable IR nonlinear optical material with strong second harmonic generation response","Journal of Materials Chemistry C","2015","3","","10998","11004","10.1039/C5TC02337H","","","0.71073","MoKα","","0.0246","0.0228","","","0.0408","0.0413","","","","","","0.793","","","","has coordinates","219194","2020-10-21","18:00:00",""
"7234489","16.873","0.003","25.268","0.005","10.68","0.002","90","","119.457","0.002","90","","3964.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 Cu N O4 -","- C19 H30 Cu N O4 -","- C152 H240 Cu8 N8 O32 -","8","1","","Norbani Abdullah; Rauzah Hashim; Lailatun Nazirah Ozair; Yasameen Al-Hakem; Habibah Samsudin; Anita Marlina; Malinda Salim; Suhana Mohd. Said; Balamurugan Subramanian; Abdul Rahman Nordin","Structural, mesomorphic, photoluminescence and thermoelectric studies of mononuclear and polymeric complexes of copper(ii) with 2-hexyldecanoato and 4,4'-bipyridine ligands","Journal of Materials Chemistry C","2015","3","","11036","11045","10.1039/C5TC02273H","","","0.71073","MoKα","","0.0778","0.045","","","0.1049","0.1207","","","","","","1","","","","has coordinates","219195","2020-10-21","18:00:00",""
"7234490","11.8993","0.0008","8.4256","0.0003","42.389","0.002","90","","93.892","0.005","90","","4240.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H69 Cu0.5 N2 O4 -","- C41 H69 Cu0.5 N2 O4 -","- C164 H276 Cu2 N8 O16 -","4","1","","Norbani Abdullah; Rauzah Hashim; Lailatun Nazirah Ozair; Yasameen Al-Hakem; Habibah Samsudin; Anita Marlina; Malinda Salim; Suhana Mohd. Said; Balamurugan Subramanian; Abdul Rahman Nordin","Structural, mesomorphic, photoluminescence and thermoelectric studies of mononuclear and polymeric complexes of copper(ii) with 2-hexyldecanoato and 4,4'-bipyridine ligands","Journal of Materials Chemistry C","2015","3","","11036","11045","10.1039/C5TC02273H","","","0.71073","MoKα","","0.1905","0.158","","","0.3499","0.3717","","","","","","1.133","","","","has coordinates","219195","2020-10-21","18:00:00",""
"7234491","17.2701","0.0018","17.2701","0.0018","14.6308","0.0018","90","","90","","120","","3779.1","0.7","25","2","25","2","","","","","","","","5","R -3 :H","-R 3","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C54 H36 Br45 Mo18 Se36 -","3","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.7107","MoKα","","0.0354","0.0322","","","0.0669","0.0691","","","","","","1.13","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234492","11.0988","0.0009","11.0988","0.0009","11.0988","0.0009","102.058","0.0004","102.058","0.0004","102.058","0.0004","1261.12","0.18","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0258","0.0203","","","0.0395","0.0409","","","","","","1.013","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234493","11.1579","0.0005","11.1579","0.0005","11.1579","0.0005","101.8","0.001","101.8","0.001","101.8","0.001","1286.32","0.1","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Br14)Br]","","","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","- C18 H12 Br15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0382","0.0252","","","0.0454","0.0488","","","","","","1.026","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234494","16.9464","0.0013","16.9464","0.0013","14.0495","0.0014","90","","90","","120","","3494.2","0.5","25","2","25","2","","","","","","","","5","R -3 :H","-R 3","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C54 H36 Cl45 Mo18 Se36 -","3","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.7107","MoKα","","0.0168","0.0151","","","0.0322","0.0325","","","","","","1.043","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234495","10.8505","0.0005","10.8505","0.0005","10.8505","0.0005","102.632","0.0002","102.632","0.0002","102.632","0.0002","1167.76","0.09","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0145","0.0132","","","0.0295","0.0299","","","","","","1.086","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234496","10.908","0.0007","10.908","0.0007","10.908","0.0007","102.348","0.0003","102.348","0.0003","102.348","0.0003","1191.82","0.13","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TSF)3[(Mo6Cl14)Cl]","","","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","- C18 H12 Cl15 Mo6 Se12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0239","0.018","","","0.0343","0.0363","","","","","","1.094","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234497","10.8797","0.0005","10.8797","0.0005","10.8797","0.0005","101.159","0.001","101.159","0.001","101.159","0.001","1203.35","0.1","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0259","0.0214","","","0.0459","0.0476","","","","","","1.033","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234498","10.9429","0.0005","10.9429","0.0005","10.9429","0.0005","100.915","0.001","100.915","0.001","100.915","0.001","1228.45","0.1","300","2","300","2","","","","","","","","5","R -3 :R","-P 3*","148","(TTF)3[(Mo6B14)Br]","","","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","- C18 H12 Br15 Mo6 S12 -","1","0.166667","","Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Yasuhiro Shimizu; Yuma Hattori; Yuto Nakamura; Hideo Kishida; Hiroshi Ito; Kaplan Kirakci; Stephane Cordier; Christiane Perrin","Spin frustration in antiperovskite systems: (TTF.+ or TSF.+)3[(Mo6X14)2-Y-]","Journal of Materials Chemistry C","2015","3","","11046","11054","10.1039/C5TC02075A","","","0.71073","MoKα","","0.0417","0.0276","","","0.0524","0.0586","","","","","","1.066","","","","has coordinates","219196","2020-10-21","18:00:00",""
"7234499","12.2637","0.0004","20.2483","0.0007","6.9828","0.0002","90","","92.168","0.002","90","","1732.72","0.1","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 N4 O Pt -","- C21 H16 F2 N4 O Pt -","- C84 H64 F8 N16 O4 Pt4 -","4","1","","Anurach Poloek; Chieh Wang; Yung-Ting Chang; Chiao-Wen Lin; Chao-Tsen Chen; Chin-Ti Chen","New platinum complexes exhibiting host dependent photoluminescence as single dopants in double emitting layer, voltage independent hybrid white electroluminescence devices","Journal of Materials Chemistry C","2015","3","","11163","11177","10.1039/C5TC02523K","","","0.71073","MoKα","","0.0232","0.0197","","","0.0446","0.046","","","","","","1.099","","","","has coordinates","219198","2020-10-21","18:00:00",""
"7234500","7.1554","0.0006","12.9732","0.0012","14.4038","0.0013","89.276","0.006","82.908","0.005","74.477","0.005","1278.2","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F2 N4 O3 Pt -","- C32 H22 F2 N4 O3 Pt -","- C64 H44 F4 N8 O6 Pt2 -","2","1","","Anurach Poloek; Chieh Wang; Yung-Ting Chang; Chiao-Wen Lin; Chao-Tsen Chen; Chin-Ti Chen","New platinum complexes exhibiting host dependent photoluminescence as single dopants in double emitting layer, voltage independent hybrid white electroluminescence devices","Journal of Materials Chemistry C","2015","3","","11163","11177","10.1039/C5TC02523K","","","0.71073","MoKα","","0.026","0.0208","","","0.0422","0.044","","","","","","1.049","","","","has coordinates","219198","2020-10-21","18:00:00",""
"7234501","7.571","0.003","13.666","0.005","13.86","0.005","90","","90","","90","","1434","0.9","200","2","","","","","","","","","","3","P m n b","-P 2bc 2a","62","","","","- Br14 Ce4 Cs2 -","- Br14 Ce4 Cs2 -","- Br28 Ce8 Cs4 -","2","0.25","","Yuntao Wu; Hongliang Shi; Bryan C. Chakoumakos; Mariya Zhuravleva; Mao-Hua Du; Charles L. Melcher","Crystal structure, electronic structure, temperature-dependent optical and scintillation properties of CsCe2Br7","Journal of Materials Chemistry C","2015","3","","11366","11376","10.1039/C5TC02721G","","","0.71073","MoKα","","0.0866","0.0724","","","0.2","0.2209","","","","","","1.167","","","","has coordinates","219199","2020-10-21","18:00:00",""
"7234502","12.79416","0.00014","12.79416","0.00014","44.6986","0.0008","90","","90","","90","","7316.74","0.17","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H24 Cl2 Cu N6 O2 -","- C40 H24 Cl2 Cu N6 O2 -","- C320 H192 Cl16 Cu8 N48 O16 -","8","1","","Nan Li; Honglian Feng; Qian Gong; Chunxiao Wu; Hao Zhou; Zhiyan Huang; Jun Yang; Xiaohua Chen; Na Zhao","BINOL-based chiral aggregation-induced emission luminogens and their application in detecting copper(ii) ions in aqueous media","Journal of Materials Chemistry C","2015","3","","11458","11463","10.1039/C5TC02778K","","","1.54184","CuKα","","0.0506","0.0367","","","0.0775","0.0811","","","","","","0.955","","","","has coordinates","219200","2020-10-21","18:00:00",""
"7234503","4.6497","0.0002","6.8344","0.0003","27.9597","0.0012","87.196","0.002","85.342","0.002","74.748","0.002","854.02","0.06","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","1","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0547","0.0443","","","0.1168","0.1222","","","","","","1.081","","","","has coordinates,has disorder","219201","2020-10-21","18:00:00",""
"7234504","4.6352","0.0002","6.6073","0.0002","27.9285","0.0009","92.995","0.002","94.603","0.002","104.495","0.002","823.12","0.05","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","- C38 H54 N2 O4 -","1","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0535","0.0461","","","0.1213","0.1251","","","","","","1.097","","","","has coordinates","219201","2020-10-21","18:00:00",""
"7234505","7.2348","0.0005","4.9094","0.0003","48.847","0.003","90","","93.174","0.004","90","","1732.31","0.19","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O S3 -","- C38 H54 N2 O S3 -","- C76 H108 N4 O2 S6 -","2","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0986","0.0694","","","0.1554","0.1703","","","","","","1.055","","","","has coordinates,has disorder","219201","2020-10-21","18:00:00",""
"7234506","4.642","0.0002","46.2015","0.0016","7.8037","0.0003","90","","96.678","0.003","90","","1662.28","0.11","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O2 S2 -","- C38 H54 N2 O2 S2 -","- C76 H108 N4 O4 S4 -","2","0.5","","Lisa M. Kozycz; Chang Guo; Joseph G. Manion; Andrew J. Tilley; Alan J. Lough; Yuning Li; Dwight S. Seferos","Enhanced electron mobility in crystalline thionated naphthalene diimides","Journal of Materials Chemistry C","2015","3","","11505","11515","10.1039/C5TC02753E","","","1.54178","CuKα","","0.0589","0.0464","","","0.1113","0.1188","","","","","","1.041","","","","has coordinates","219201","2020-10-21","18:00:00",""
"7234507","16.2431","0.0008","10.5762","0.0003","14.6113","0.0008","90","","101.796","0.004","90","","2457.1","0.2","180.15","","180.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Fe N14 O4 -","- C22 H16 Fe N14 O4 -","- C88 H64 Fe4 N56 O16 -","4","0.5","","Kuppusamy Senthil Kumar; Ivan Salitros; Benoit Heinrich; Olaf Fuhr; Mario Ruben","A charge neutral iron(ii) complex with an above room temperature spin crossover (SCO) and hysteresis loop","Journal of Materials Chemistry C","2015","3","","11635","11644","10.1039/C5TC02079D","","x-ray","0.71073","MoKα","","0.0415","0.0305","","","0.0672","0.0709","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234510","8.134","0.006","8.142","0.007","10.657","0.012","110.13","0.04","93","0.04","98.55","0.03","651.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","1","0.5","","Haitao Wang; Fangyi Chen; Xiaoshi Jia; Huimin Liu; Xia Ran; Mahesh Kumar Ravva; Fu-Quan Bai; Songnan Qu; Min Li; Hong-Xing Zhang; Jean-Luc Bredas","Controllable molecular aggregation and fluorescence properties of 1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2015","3","","11681","11688","10.1039/C5TC02445E","","","0.71073","MoKα","","0.0883","0.0507","","","0.1281","0.1432","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234511","8.166","0.006","13.066","0.009","14.357","0.014","65.13","0.03","73.59","0.03","86.14","0.03","1330.8","1.9","293","","293","2","","","","","","","","4","P -1","-P 1","2","","2,2-Bis-(4-hexyloxyphenyl)-bi-1,3,4-oxadiazole","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C56 H68 N8 O8 -","2","1","","Haitao Wang; Fangyi Chen; Xiaoshi Jia; Huimin Liu; Xia Ran; Mahesh Kumar Ravva; Fu-Quan Bai; Songnan Qu; Min Li; Hong-Xing Zhang; Jean-Luc Bredas","Controllable molecular aggregation and fluorescence properties of 1,3,4-oxadiazole derivatives","Journal of Materials Chemistry C","2015","3","","11681","11688","10.1039/C5TC02445E","","","0.71073","MoKα","","0.152","","","","","","","","","","","","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234512","14.4112","0.0005","19.99","0.0008","20.8193","0.0007","90","","96.156","0.004","90","","5963","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Eu N7 O40 W10 -","- C32.75 H45.25 Eu N6.5 O39.75 W10 -","- C131 H181 Eu4 N26 O159 W40 -","4","1","","De-Feng Shen; Si Li; Hong Liu; Wei Jiang; Qiang Zhang; Guang-Gang Gao","A durable and fast-responsive photochromic and switchable luminescent polyviologen-polyoxometalate hybrid","Journal of Materials Chemistry C","2015","3","","12090","12097","10.1039/C5TC03270A","","","0.71","MoKα","","0.1069","0.0545","","","0.092","0.1096","","","","","","1.003","","","","has coordinates","219241","2020-10-21","18:00:00",""
"7234513","12.0073","0.0007","20.1231","0.0015","23.5367","0.0016","90","","103.435","0.006","90","","5531.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 N4 O45 W12 -","- C15.5 H25.25 N4 O43.5 W12 -","- C62 H101 N16 O174 W48 -","4","1","","De-Feng Shen; Si Li; Hong Liu; Wei Jiang; Qiang Zhang; Guang-Gang Gao","A durable and fast-responsive photochromic and switchable luminescent polyviologen-polyoxometalate hybrid","Journal of Materials Chemistry C","2015","3","","12090","12097","10.1039/C5TC03270A","","","0.71","MoKα","","0.1617","0.0667","","","0.093","0.1188","","","","","","0.956","","","","has coordinates","219241","2020-10-21","18:00:00",""
"7234514","8.3411","0.0004","9.4833","0.0005","14.627","0.0008","95.749","0.001","105.792","0.001","113.993","0.001","987.46","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 B N3 O -","- C25 H18 B N3 O -","- C50 H36 B2 N6 O2 -","2","1","","Yanping Wu; Hua Lu; Sisi Wang; Zhifang Li; Zhen Shen","Asymmetric boron-complexes containing keto-isoindolinyl and pyridyl groups: solvatochromic fluorescence, efficient solid-state emission and DFT calculations","Journal of Materials Chemistry C","2015","3","","12281","12289","10.1039/C5TC03084F","","","0.71073","MoKα","","0.0439","0.0353","","","0.1018","0.1109","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7234515","5.2804","0.0002","20.0535","0.0009","6.907","0.0003","90","","90","","90","","731.39","0.05","25","2","25","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Ba Bi Cl O6 Se2 -","- Ba Bi Cl O6 Se2 -","- Ba4 Bi4 Cl4 O24 Se8 -","4","0.5","","Lei Geng; Qiang Li; Chang-Yu Meng; Kai Dai; Hong-Yan Lu; Chen-Sheng Lin; Wen-Dan Cheng","BaBi(SeO3)2Cl: a new polar material showing high second-harmonic generation efficiency enhanced by constructive alignment of chloride ions","Journal of Materials Chemistry C","2015","3","","12290","12296","10.1039/C5TC02925B","","","0.71073","MoKα","","0.0216","0.0211","","","0.0658","0.0662","","","","","","0.993","","","","has coordinates","219243","2020-10-21","18:00:00",""
"7234516","9.396","0.005","17.959","0.006","18.69","0.007","79.896","0.014","83.61","0.015","86.117","0.015","3082","2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H31 N O2 -","- C42 H31 N O2 -","- C168 H124 N4 O8 -","4","2","","Yi Wang; Ivan Zhang; Binhong Yu; Xiaofeng Fang; Xing Su; Yu-Mo Zhang; Ting Zhang; Bing Yang; Minjie Li; Sean Xiao-An Zhang","Full-color tunable mechanofluorochromism and excitation-dependent emissions of single-arm extended tetraphenylethylenes","Journal of Materials Chemistry C","2015","3","","12328","12334","10.1039/C5TC02623G","","","0.71073","MoKα","","0.1355","0.0674","","","0.1864","0.2445","","","","","","0.987","","","","has coordinates,has disorder","219244","2020-10-21","18:00:00",""
"7234517","10.202","0.005","18.97","0.007","13.263","0.005","90","","98.31","0.015","90","","2539.9","1.8","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","2","","Yi Wang; Ivan Zhang; Binhong Yu; Xiaofeng Fang; Xing Su; Yu-Mo Zhang; Ting Zhang; Bing Yang; Minjie Li; Sean Xiao-An Zhang","Full-color tunable mechanofluorochromism and excitation-dependent emissions of single-arm extended tetraphenylethylenes","Journal of Materials Chemistry C","2015","3","","12328","12334","10.1039/C5TC02623G","","","0.71073","MoKα","","0.084","0.0539","","","0.1241","0.1391","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:28",""
"7235260","17.313","0.0007","13.4192","0.0006","19.7406","0.0009","90","","115.153","0.002","90","","4151.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 Pd S2 -","- C18 H20 N6 Pd S2 -","- C144 H160 N48 Pd8 S16 -","8","2","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0483","0.0335","","","0.1029","0.1231","","","","","","0.849","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235261","7.908","0.004","26.302","0.014","9.794","0.005","90","","90.686","0.007","90","","2037","1.8","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H14 Cl2 N6 Pd S2 -","- C16 H14 Cl2 N6 Pd S2 -","- C64 H56 Cl8 N24 Pd4 S8 -","4","2","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.1289","0.1218","","","0.307","0.3127","","","","","","1.973","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235262","17.767","0.005","13.134","0.004","8.83","0.003","90","","90","","90","","2060.5","1.1","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 N6 O2 Pd S2 -","- C18 H20 N6 O2 Pd S2 -","- C72 H80 N24 O8 Pd4 S8 -","4","1","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0528","0.0367","","","0.0738","0.0808","","","","","","0.885","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235263","9.9226","0.0003","10.9475","0.0003","12.409","0.0003","91.136","0.001","107.096","0.001","109.299","0.001","1205.73","0.06","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 Cl N3 P Pd S -","- C26 H21 Cl N3 P Pd S -","- C52 H42 Cl2 N6 P2 Pd2 S2 -","2","1","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0283","0.0246","","","0.0701","0.0744","","","","","","0.822","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235264","9.9753","0.0003","10.8801","0.0004","12.5208","0.0004","90.807","0.002","107.726","0.002","109.247","0.002","1212.11","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 N3 P Pd S -","- C27 H24 N3 P Pd S -","- C54 H48 N6 P2 Pd2 S2 -","2","1","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0373","0.0294","","","0.0774","0.084","","","","","","0.832","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235265","9.9825","0.001","10.0841","0.001","26.259","0.003","100.477","0.005","93.419","0.006","96.826","0.005","2571.9","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 N3 O P Pd S -","- C26 H22 N3 O P Pd S -","- C104 H88 N12 O4 P4 Pd4 S4 -","4","2","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.2105","0.2018","","","0.4921","0.4961","","","","","","1.319","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235266","14.1523","0.0007","15.1344","0.0007","18.0022","0.0009","66.294","0.004","71.031","0.004","64.522","0.005","3132.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 N12 O42 Sm2 -","- C40 H20 N12 O42 Sm2 -","- C80 H40 N24 O84 Sm4 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0644","0.0352","","","0.0885","0.1021","","","","","","1.034","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235267","8.9815","0.0003","14.0907","0.0004","14.1747","0.0005","67.246","0.003","78.097","0.003","71.811","0.003","1564.11","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Eu N6 O21 -","- C20 H25 Eu N6 O21 -","- C40 H50 Eu2 N12 O42 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.052","0.0411","","","0.0962","0.1037","","","","","","1.049","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235268","13.7707","0.0005","13.8802","0.0003","17.897","0.0005","82.98","0.002","81.471","0.003","70.077","0.002","3171.07","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Dy2 N12 O42 -","- C40 H20 Dy2 N12 O42 -","- C80 H40 Dy4 N24 O84 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0527","0.0387","","","0.105","0.1153","","","","","","1.007","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235269","20.836","0.004","9.4722","0.0016","28.136","0.005","90","","106.372","0.003","90","","5327.8","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Dy3 N13 O33 -","- C40 H44 Dy3 N13 O33 -","- C160 H176 Dy12 N52 O132 -","4","0.5","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0444","0.0419","","","0.1169","0.1205","","","","","","1.023","","","","has coordinates,has disorder","232642","2020-10-21","18:00:00",""
"7235270","8.3855","0.0002","9.4526","0.0003","13.2169","0.0003","88.674","0.002","79.772","0.002","66.784","0.003","946.23","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Dy2 N6 O24 -","- C28 H38 Dy2 N6 O24 -","- C28 H38 Dy2 N6 O24 -","1","0.5","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0267","0.0244","","","0.0588","0.0608","","","","","","1.007","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235271","8.4976","0.0005","10.4677","0.0005","12.1637","0.0008","112.855","0.005","96.677","0.005","103.448","0.005","943.57","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 Er N3 O10 -","- C18 H9 Er N3 O10 -","- C36 H18 Er2 N6 O20 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0206","0.0191","","","0.0491","0.0498","","","","","","1.003","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235272","8.4828","0.0005","10.4482","0.0005","12.1414","0.0008","112.753","0.005","96.732","0.005","103.42","0.005","939.2","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 N3 O10 Tm -","- C18 H9 N3 O10 Tm -","- C36 H18 N6 O20 Tm2 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0239","0.0225","","","0.0574","0.0585","","","","","","1.055","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235273","8.4728","0.0005","10.4366","0.0005","12.152","0.0008","112.738","0.005","96.828","0.005","103.269","0.005","938.45","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 N3 O10 Yb -","- C18 H9 N3 O10 Yb -","- C36 H18 N6 O20 Yb2 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0305","0.0267","","","0.0573","0.0593","","","","","","1.03","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235274","12.696","0.009","17.151","0.012","10.238","0.007","90","","114.694","0.005","90","","2025","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","17b","17b","","- C19 H14 O5 S4 -","- C19 H14 O5 S4 -","- C76 H56 O20 S16 -","4","0.5","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C–S coupling between aryl iodides and zinc–thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.0718","0.0426","","","0.0916","0.1073","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235275","11.066","0.012","11.928","0.013","13.426","0.014","78.033","0.01","89.127","0.01","86.984","0.009","1731","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","24b","24b","","- C15 H8 N2 O5 S4 -","- C15 H8 N2 O5 S4 -","- C60 H32 N8 O20 S16 -","4","2","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C–S coupling between aryl iodides and zinc–thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.1165","0.0653","","","0.1516","0.177","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235276","10.892","0.003","8.013","0.0019","14.444","0.003","90","","90","","90","","1260.6","0.5","293","2","293","2","","","","","","","","4","P m n b","-P 2bc 2a","62","34a","34a","","- C11 H6 O2 S5 -","- C11 H6 O2 S5 -","- C44 H24 O8 S20 -","4","0.5","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C–S coupling between aryl iodides and zinc–thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.0466","0.0346","","","0.0814","0.0919","","","","","","1.046","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235277","11.411","0.003","11.385","0.0017","19.507","0.003","90","","90","","90","","2534.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","35a","35a","","- C9 H6 S6 -","- C9 H6 S6 -","- C72 H48 S48 -","8","1","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C–S coupling between aryl iodides and zinc–thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.0586","0.0402","","","0.0814","0.1085","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235278","4.967","0.005","27.181","0.014","7.764","0.007","90","","117.55","0.06","90","","929.3","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Gaur, Ruchi; Mishra, Lallan","Bi-nuclear Ru(ii) complexes of bis-chalcone and bis-flavonol: synthesis, characterization, photo cleavage of DNA and Topoisomerase I inhibition","RSC Advances","2013","3","30","12210","","10.1039/c3ra41451e","","","0.71073","MoKα","","0.2075","0.0532","","","0.0538","0.0967","","","","","","0.735","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235279","14.565","0.007","15.905","0.007","16.366","0.008","85.02","0.05","88.64","0.05","73.41","0.05","3620","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.9 H58 N17.6 Ni3 O8.9 -","- C83.9 H57.6 N17.6 Ni3 O8.9 -","- C167.8 H115.2 N35.2 Ni6 O17.8 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.4374","0.1214","","","0.1253","0.2189","","","","","","0.932","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235280","17.036","0.007","17.422","0.007","19.4","0.008","64.27","0.04","77.69","0.03","63.98","0.04","4659","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C101.5 H74.6 N18 Ni6 O18.8 -","- C101.5 H72 N18 Ni6 O18.8 -","- C203 H144 N36 Ni12 O37.6 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.2115","0.0562","","","0.0485","0.0599","","","","","","0.889","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235281","15.782","0.004","17.617","0.005","19.885","0.005","93.8","0.03","100.35","0.03","97","0.03","5376","3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C102.8 H105 Cl N18 Ni5 O27.2 -","- C102.8 H102.2 Cl N18 Ni5 O27.2 -","- C205.6 H204.4 Cl2 N36 Ni10 O54.4 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.1068","0.0643","","","0.1664","0.2008","","","","","","1.03","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235282","18.314","0.007","18.903","0.006","19.287","0.006","96.06","0.03","106.28","0.03","101.89","0.03","6176","4","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H104 Cl2 N29.5 Ni7 O24.75 -","- C130 H102.5 Cl2 N29.5 Ni7 O24.75 -","- C260 H205 Cl4 N59 Ni14 O49.5 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.2127","0.0901","","","0.1474","0.1914","","","","","","1.038","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235283","17.608","0.005","18.43","0.005","21.084","0.006","81.07","0.03","82.32","0.03","83.47","0.03","6668","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C135.75 H108.4 Cl2 N27 Ni8 O29.95 -","- C135.75 H108 Cl2 N27 Ni8 O29.95 -","- C271.5 H216 Cl4 N54 Ni16 O59.9 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.174","0.0613","","","0.0903","0.1021","","","","","","1.019","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235285","11.015","0.006","17.421","0.009","29.938","0.017","90","","93.99","0.01","90","","5731","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H19 Cl Co2 N5 O12 -","- C36 H19 Cl Co2 N5 O12 -","- C144 H76 Cl4 Co8 N20 O48 -","4","1","","Zou, Yang; Li, Yuanyuan; Yu, Chaoyong; Yin, Fei; Lah, Myoung Soo","A supramoleculear self-assembled flexible open framework based on the coordination of honeycomb layers possessing octahedral and tetrahedral CoII geometries","RSC Advances","2013","3","43","19889","","10.1039/c3ra43290d","","","0.71073","MoKα","","0.1565","0.0797","","","0.1894","0.2215","","","","","","0.836","","","","has coordinates","232652","2020-10-21","18:00:00",""
"7235286","9.6448","0.0004","12.0294","0.0005","12.29","0.0005","101.413","0.001","102.447","0.001","103.514","0.001","1306.74","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H58 Li2 N2 O8 P2 -","- C58 H58 Li2 N2 O8 P2 -","- C58 H58 Li2 N2 O8 P2 -","1","0.5","","Aleksanyan, D. V.; Kozlov, V. A.; Petrov, B. I.; Balashova, T. V.; Pushkarev, A. P.; Dmitrienko, A. O.; Fukin, G. K.; Cherkasov, A. V.; Bochkarev, M. N.; Lazarev, N. M.; Bessonova, Y. A.; Abakumov, G. A.","Lithium, zinc and scandium complexes of phosphorylated salicylaldimines: synthesis, structure, thermochemical and photophysical properties, and application in OLEDs","RSC Advances","2013","3","46","24484","","10.1039/c3ra43885f","","","0.71073","MoKα","","0.0599","0.0453","","","0.1137","0.1209","","","","","","1.043","","","","has coordinates","232655","2020-10-21","18:00:00",""
"7235287","29.3832","0.0018","10.1971","0.0006","24.3422","0.0015","90","","125.879","0.001","90","","5909.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H66 N4 O6 P2 Zn -","- C72 H66 N4 O6 P2 Zn -","- C288 H264 N16 O24 P8 Zn4 -","4","0.5","","Aleksanyan, D. V.; Kozlov, V. A.; Petrov, B. I.; Balashova, T. V.; Pushkarev, A. P.; Dmitrienko, A. O.; Fukin, G. K.; Cherkasov, A. V.; Bochkarev, M. N.; Lazarev, N. M.; Bessonova, Y. A.; Abakumov, G. A.","Lithium, zinc and scandium complexes of phosphorylated salicylaldimines: synthesis, structure, thermochemical and photophysical properties, and application in OLEDs","RSC Advances","2013","3","46","24484","","10.1039/c3ra43885f","","","0.71073","MoKα","","0.0538","0.0394","","","0.0929","0.0981","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235288","15.59","0.004","7.2248","0.0016","14.053","0.003","90","","92.501","0.007","90","","1581.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 I4 O4 -","- C32 H20 I4 O4 -","- C64 H40 I8 O8 -","2","0.25","","Singha, Raju; Dhara, Shubhendu; Ray, Jayanta K.","Highly stereo-selective synthesis of (Z)-2,3-diiodo-1,4-diarylbut-2-ene-1,4-diones via oxidative iodination of 1,4-diarylbuta-1,3-diynes","RSC Advances","2013","3","46","23989","","10.1039/c3ra44965c","","","0.71073","MoKα","","0.0352","0.0257","","","0.058","0.0625","","","","","","1.042","","","","has coordinates","232658","2020-10-21","18:00:00",""
"7235746","28.677","0.002","15.8555","0.0011","21.4018","0.0015","90","","90","","90","","9731.1","1.2","296","2","296","2","","","","","","","","4","P 2 2 21","P 2c 2","17","","","","- C68 H40 Cd3 O18 -","- C68 H36 Cd3 O18 -","- C272 H144 Cd12 O72 -","4","1","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.0524","0.0428","","","0.1228","0.1265","","","","","","0.92","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235747","15.8225","0.0005","16.8196","0.0005","28.476","0.0011","96.7","0.002","100.221","0.003","109.597","0.002","6898","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H60 O28 Zn6 -","- C106 H56 O28 Zn6 -","- C212 H112 O56 Zn12 -","2","1","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","1.54178","CuKα","","0.1205","0.1009","","","0.3001","0.323","","","","","","1.198","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235748","30.947","0.008","11.625","0.003","13.967","0.004","90","","90","","90","","5025","2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C22 H8 N O4 Zn -","- C22 H3 N O4 Zn -","- C176 H24 N8 O32 Zn8 -","8","0.5","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.0727","0.0639","","","0.1667","0.1724","","","","","","1.069","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235749","31.02","0.05","11.74","0.02","13.91","0.03","90","","90","","90","","5066","16","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C22 H13 Co N O4 -","- C22 H3 Co N O4 -","- C176 H24 Co8 N8 O32 -","8","0.5","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.1058","0.1007","","","0.2528","0.2572","","","","","","1.062","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235750","11.761","0.005","15.417","0.006","15.705","0.006","98.664","0.006","103.082","0.006","90.032","0.006","2740.3","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Co2 N4 O8 -","- C44 H22 Co2 N4 O8 -","- C88 H44 Co4 N8 O16 -","2","1","","Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S.","Structural stability of BTTB-based metal‒organic frameworks under humid conditions","Journal of Materials Chemistry A","2015","3","4","1624","","10.1039/C4TA01372G","","","0.71073","MoKα","","0.1009","0.0804","","","0.2314","0.2432","","","","","","1.016","","","","has coordinates","233293","2020-10-21","18:00:00",""
"7235793","10.83","0.004","5.0641","0.0018","15.865","0.006","90","","106.122","0.004","90","","835.9","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HANTT","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Bian, Chengming; Zhang, Man; Li, Chuan; Zhou, Zhiming","3-Nitro-1-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (HANTT) and its energetic salts: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry A","2015","3","1","163","","10.1039/C4TA04107K","","","0.71073","MoKα","","0.0536","0.0412","","","0.1034","0.1122","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235794","7.0181","0.0017","8.833","0.002","18.795","0.006","84.76","0.009","84.24","0.008","68.063","0.009","1073.5","0.5","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N12 O2.5 -","- C4 H9 N12 O2.5 -","- C16 H36 N48 O10 -","4","2","","Bian, Chengming; Zhang, Man; Li, Chuan; Zhou, Zhiming","3-Nitro-1-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (HANTT) and its energetic salts: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry A","2015","3","1","163","","10.1039/C4TA04107K","","","0.71073","MoKα","","0.0604","0.0388","","","0.0817","0.0893","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235795","17.869","0.006","7.864","0.002","18.347","0.006","90","","104.227","0.004","90","","2499.1","1.3","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5.46 H9.92 N14 O2.5 -","- C5.461 H9.8448 N14 O2.5002 -","- C43.688 H78.7584 N112 O20.0016 -","8","1","","Bian, Chengming; Zhang, Man; Li, Chuan; Zhou, Zhiming","3-Nitro-1-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (HANTT) and its energetic salts: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry A","2015","3","1","163","","10.1039/C4TA04107K","","","0.71073","MoKα","","0.0608","0.0499","","","0.1274","0.1371","","","","","","1.002","","","","has coordinates,has disorder","233328","2020-10-21","18:00:00",""
"7235800","12.8897","0.0005","12.8897","0.0005","16.4462","0.0012","90","","90","","90","","2732.4","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H24 O21 S2 Tb2 -","- C14 H24 O21 S2 Tb2 -","- C56 H96 O84 S8 Tb8 -","4","0.5","","Dong, Xi-Yan; Wang, Rui; Wang, Jun-Zhe; Zang, Shuang-Quan; Mak, Thomas C. W.","Highly selective Fe3+ sensing and proton conduction in a water-stable sulfonate‒carboxylate Tb‒organic-framework","Journal of Materials Chemistry A","2015","3","2","641","","10.1039/C4TA04421E","","","0.71073","MoKα","","0.0277","0.0265","","","0.0503","0.0513","","","","","","1.016","","","","has coordinates","233335","2020-10-21","18:00:00",""
"7235806","10.1704","0.0006","21.3474","0.0012","29.3979","0.0016","90","","90.589","0.001","90","","6382.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Mo5 N12 O29 P2 Zn -","- C48 H52 Mo5 N12 O29 P2 Zn -","- C192 H208 Mo20 N48 O116 P8 Zn4 -","4","1","","Xu, Xinxin; Gao, Xin; Lu, Tingting; Liu, Xiaoxia; Wang, Xiuli","Hybrid material based on a coordination-complex-modified polyoxometalate nanorod (CC/POMNR) and PPy: a new visible light activated and highly efficient photocatalyst","Journal of Materials Chemistry A","2015","3","1","198","","10.1039/C4TA05071A","","","0.71073","MoKα","","0.0637","0.0523","","","0.1465","0.1564","","","","","","1.108","","","","has coordinates","233343","2020-10-21","18:00:00",""
"7235807","28.105","0.0014","28.105","0.0014","14.598","0.0009","90","","90","","120","","9986","0.9","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C88 H112 Mn6 N6 O42 -","- C60 H30 Mn6 O38 -","- C180 H90 Mn18 O114 -","3","0.25","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang","A new microporous anionic metal‒organic framework as a platform for highly selective adsorption and separation of organic dyes","Journal of Materials Chemistry A","2015","3","4","1675","","10.1039/C4TA05391E","","","0.71069","MoKα","","0.1963","0.0942","","","0.2297","0.2475","","","","","","1.123","","","","has coordinates","233345","2020-10-21","18:00:00",""
"7235808","12.6154","0.0009","18.5017","0.0014","7.696","0.0005","90","","90","","90","","1796.3","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cl4 O9 Ti2 -","- C8 H12 Cl4 O9 Ti2 -","- C32 H48 Cl16 O36 Ti8 -","4","0.5","","Liu, Junlei; Cai, Zhiwei; Lv, Yaokang; Zhang, Yujian; Su, Chang; Ouyang, Mi; Zhang, Cheng; Wright, Dominic S.","From a polyoxotitanium cage to TiO2/C composites, a novel strategy for nanoporous materials","Journal of Materials Chemistry A","2015","3","5","1837","","10.1039/C4TA05441E","","","0.71073","MoKα","","0.0491","0.0435","","","0.1079","0.1115","","","","","","1.023","","","","has coordinates","233347","2020-10-21","18:00:00",""
"7235809","9.3725","0.0002","14.7643","0.0003","14.7153","0.0003","90","","101.058","0.002","90","","1998.47","0.07","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Zn(dcbpy)(DMF)]","","- C18 H20 N4 O6 Zn -","- C18 H20 N4 O6 Zn -","- C72 H80 N16 O24 Zn4 -","4","1","","Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Scanlon, David O.; Kenyon, Anthony J.; Parkin, Ivan P.","The vapour phase detection of explosive markers and derivatives using two fluorescent metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","12","6351","","10.1039/C4TA05638H","","","1.54184","CuKα","","0.0459","0.0358","","","0.0875","0.095","","","","","","1.042","","","","has coordinates,has disorder","233349","2020-10-21","18:00:00",""
"7235810","9.2414","0.0005","10.304","0.0005","12.8291","0.0006","76.388","0.004","69.431","0.004","86.377","0.004","1111.37","0.1","149.9","0.15","149.9","0.15","","","","","","","","5","P -1","-P 1","2","","Dy(DCBPY)(DMF)2(NO2)(H2O)","","- C18 H20 Dy N5 O9 -","- C18 H20 Dy N5 O9 -","- C36 H40 Dy2 N10 O18 -","2","1","","Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Scanlon, David O.; Kenyon, Anthony J.; Parkin, Ivan P.","The vapour phase detection of explosive markers and derivatives using two fluorescent metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","12","6351","","10.1039/C4TA05638H","","","1.5418","CuKα","","0.0628","0.0577","","","0.1478","0.1526","","","","","","1.146","","","","has coordinates","233349","2020-10-21","18:00:00",""
"7235811","6.6569","0.0006","8.3735","0.0008","8.5943","0.0008","88.177","0.008","68.659","0.009","69.429","0.008","415.22","0.08","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis-2,3-diaminotriazolium di-5-nitrotetrazol-2-N-oxide","5,5-bis-2,3-diaminotriazolium di-5-nitrotetrazol-2-N-oxide","","- C6 H10 N20 O6 -","- C6 H10 N20 O6 -","- C6 H10 N20 O6 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0486","0.0359","","","0.084","0.0913","","","","","","1.065","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235812","6.4916","0.0003","7.9296","0.0004","10.1535","0.0005","87.069","0.004","77.437","0.004","84.279","0.004","507.37","0.04","173","","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(2,3-diaminotriazolium) 1-methyl-5-nitriminotetrazolate dihydrate","5,5-bis(2,3-diaminotriazolium) 1-methyl-5-nitriminotetrazolate dihydrate","","- C8 H20 N22 O6 -","- C8 H20 N22 O6 -","- C8 H20 N22 O6 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0329","0.0302","","","0.0764","0.0788","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235813","10.9541","0.0003","19.709","0.0004","20.4037","0.0007","90","","104.295","0.003","90","","4268.7","0.2","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(diaminotriazolium) 5-nitriminotetrazolate hydrate","bis(diaminotriazolium) 5-nitriminotetrazolate hydrate","","- C16 H36 N54 O10 -","- C16 H36 N54 O10 -","- C64 H144 N216 O40 -","4","1","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0553","0.0376","","","0.0891","0.099","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235814","28.2349","0.0008","12.8429","0.0003","7.2379","0.0003","90","","94.715","0.003","90","","2615.71","0.15","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,5-bis(2,3-diaminotriazolium) 5-nitrimino1-H-tetrazolate semihydrate","5,5-bis(2,3-diaminotriazolium) 5-nitrimino1-H-tetrazolate semihydrate","","- C5 H11 N16 O2.5 -","- C5 H11 N16 O2.5 -","- C40 H88 N128 O20 -","8","1","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0379","0.0318","","","0.083","0.0874","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235815","9.275","0.0007","9.5253","0.0008","9.8392","0.0008","109.65","0.007","96.08","0.006","116.486","0.008","698.14","0.13","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(3,4-diaminotriazolium) 5-nitrimino-1H-tetrazolate 5,5-bis(3,4-diaminotriazole) hydrate","5,5-bis(3,4-diaminotriazolium) 5-nitrimino-1H-tetrazolate 5,5-bis(3,4-diaminotriazole) hydrate","","- C10 H28 N32 O8 -","- C10 H28 N32 O8 -","- C10 H28 N32 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0423","0.0328","","","0.0805","0.0874","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235816","6.3892","0.0006","8.242","0.0007","8.4392","0.0007","81.266","0.007","75.251","0.007","85.638","0.007","424.45","0.07","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(2,3-diamino-1,2,4-triazolium) 1,1-dinitramino-5,5-bistetrazolate","5,5-bis(2,3-diamino-1,2,4-triazolium) 1,1-dinitramino-5,5-bistetrazolate","","- C6 H10 N22 O4 -","- C6 H10 N22 O4 -","- C6 H10 N22 O4 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0501","0.0356","","","0.0783","0.0862","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235817","16.8271","0.0004","12.0361","0.0003","8.7485","0.0003","90","","93.252","0.002","90","","1769","0.09","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis(2,3-diaminotriazolium) bis(trinitromethanide","5,5-bis(2,3-diaminotriazolium) nitroformate","","- C6 H10 N16 O12 -","- C6 H10 N16 O12 -","- C24 H40 N64 O48 -","4","1","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0356","0.0299","","","0.0737","0.0778","","","","","","1.048","","","","has coordinates","233355","2020-10-21","18:00:00",""
"7235818","5.2141","0.0004","9.8545","0.0006","17.7329","0.0011","90","","98.076","0.002","90","","902.12","0.1","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis-2,3-diaminotriazolium 2,3-tetranitrobisimidazolate","5,5-bis-2,3-diaminotriazolium 2,3-tetranitrobisimidazolate","","- C10 H10 N18 O8 -","- C10 H10 N18 O8 -","- C20 H20 N36 O16 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.062","0.037","","","0.0843","0.1108","","","","","","1.111","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235819","6.6825","0.0004","6.931","0.0004","7.0089","0.0005","73.212","0.006","89.114","0.006","75.819","0.005","300.79","0.04","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(3,4-diaminotriazolium) nitrate","5,5-bis(3,4-diaminotriazolium) nitrate","","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0371","0.0313","","","0.084","0.0898","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235820","6.3741","0.0007","7.8143","0.0008","8.4826","0.0008","66.716","0.009","69.319","0.009","76.365","0.009","360.81","0.07","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide)","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide)","","- C6 H10 N18 O2 -","- C6 H10 N18 O2 -","- C6 H10 N18 O2 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0631","0.0403","","","0.0842","0.095","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235821","8.9202","0.0007","14.3723","0.0008","6.7226","0.0006","90","","110.555","0.01","90","","806.99","0.12","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide) dihydrate","5,5-bis-3,4-diaminotriazolium 5,5-bis(tetrazole-1-oxide) dihydrate","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C12 H28 N36 O8 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0467","0.0356","","","0.0739","0.0801","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235822","6.5168","0.0005","7.7826","0.0005","8.5072","0.0006","97.717","0.006","107.34","0.006","112.14","0.007","366.35","0.06","173","2","173","","","","","","","","","4","P -1","-P 1","2","5,5-bis(3,4-diaminotriazolium) dinitramide","5,5-bis(3,4-diaminotriazolium) dinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0398","0.0336","","","0.0803","0.0855","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235823","5.0366","0.0003","8.603","0.0005","12.4842","0.0007","90","","98.924","0.005","90","","534.39","0.05","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-Bis-3-hydrazinyl-4-aminotriazole monohydrate","5,5-Bis-3-hydrazinyl-4-aminotriazole monohydrate","","- C4 H14 N12 O2 -","- C4 H14 N12 O2 -","- C8 H28 N24 O4 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0362","0.0314","","","0.0805","0.0842","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235824","6.2655","0.0003","8.2526","0.0004","17.2616","0.0008","90","","92.655","0.005","90","","891.58","0.07","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,5-bis-2,3-diaminotriazolium 5-nitrotetrazolate dihydrate","5,5-bis-2,3-diaminotriazolium 5-nitrotetrazolate dihydrate","","- C6 H14 N20 O6 -","- C6 H14 N20 O6 -","- C12 H28 N40 O12 -","2","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0406","0.0346","","","0.0853","0.0915","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235825","6.5046","0.0009","7.701","0.0013","8.4831","0.0013","97.897","0.013","107.262","0.013","111.478","0.014","362.85","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0486","0.0384","","","0.0916","0.1013","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235826","6.5155","0.0008","7.7748","0.0011","8.5036","0.0011","97.677","0.011","107.306","0.011","112.194","0.012","365.76","0.1","173","2","173","","","","","","","","","4","P -1","-P 1","2","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0552","0.0402","","","0.0896","0.1012","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235827","6.5597","0.0012","7.984","0.002","8.5813","0.0019","97.31","0.02","107.895","0.019","113.84","0.02","374.52","0.18","298","2","298","","","","","","","","","4","P -1","-P 1","2","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","4,4',5,5'-Tetraamino-3,3'-bi-1,2,4-triazolium bisdinitramide","","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","- C4 H10 N16 O8 -","1","0.5","","Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg","Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation","Journal of Materials Chemistry A","2015","3","6","2658","","10.1039/C4TA05964F","","","0.71073","MoKα","","0.0944","0.063","","","0.1481","0.172","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235828","9.97592","0.00018","19.8174","0.0004","20.1513","0.0004","90","","90","","90","","3983.85","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C75 H22 S2 -","- C75 S2 -","- C300 S8 -","4","1","","Mikie, Tsubasa; Saeki, Akinori; Masuda, Hiroyuki; Ikuma, Naohiko; Kokubo, Ken; Seki, Shu","New efficient (thio)acetalized fullerene monoadducts for organic solar cells: characterization based on solubility, mobility balance, and dark current","Journal of Materials Chemistry A","2015","3","3","1152","","10.1039/C4TA05965D","","","1.54187","CuKα","","0.0981","0.0693","","","0.1742","0.1923","","","","","","1","","","","has coordinates","233360","2020-10-21","18:00:00",""
"7235829","17.882","0.005","6.0919","0.0018","9.281","0.003","90","","90","","90","","1011","0.5","163","2","163","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H6 N7 Na O7 -","- C3 H6 N7 Na O7 -","- C12 H24 N28 Na4 O28 -","4","0.5","","Bian, Chengming; Dong, Xiao; Zhang, Xiuhui; Zhou, Zhiming; Zhang, Man; Li, Chuan","The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts","Journal of Materials Chemistry A","2015","3","7","3594","","10.1039/C4TA06139J","","","0.71073","MoKα","","0.0425","0.038","","","0.1032","0.1074","","","","","","1.001","","","","has coordinates","233363","2020-10-21","18:00:00",""
"7235830","10.426","0.004","5.185","0.002","17.876","0.007","90","","96.238","0.005","90","","960.6","0.6","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N10 O4 -","- C4 H6 N10 O4 -","- C16 H24 N40 O16 -","4","1","","Bian, Chengming; Dong, Xiao; Zhang, Xiuhui; Zhou, Zhiming; Zhang, Man; Li, Chuan","The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts","Journal of Materials Chemistry A","2015","3","7","3594","","10.1039/C4TA06139J","","","0.71073","MoKα","","0.0618","0.045","","","0.1086","0.1203","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235831","17.7703","0.0009","12.3805","0.0008","8.0711","0.0006","90","","116.773","0.007","90","","1585.3","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C7 H16 I3 N O2 Pb -","- C7 H16 I3 N O2 Pb -","- C28 H64 I12 N4 O8 Pb4 -","4","1","","Safdari, Majid; Fischer, Andreas; Xu, Bo; Kloo, Lars; Gardner, James M.","Structure and function relationships in alkylammonium lead(ii) iodide solar cells","Journal of Materials Chemistry A","2015","3","17","9201","","10.1039/C4TA06174H","","","0.71073","MoKα","","0.0296","0.0272","","","0.064","0.0648","","","","","","1.092","","","","has coordinates","233365","2020-10-21","18:00:00",""
"7235832","4.5054","0.0003","10.3354","0.0007","10.8017","0.0009","77.933","0.006","79.23","0.006","83.148","0.005","481.52","0.06","128","1","128","1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Gd N O7 -","- C8 H7 Gd N O7 -","- C16 H14 Gd2 N2 O14 -","2","1","","Zhang, Shaowei; Duan, Eryue; Cheng, Peng","An exceptionally stable 3D GdIII-organic framework for use as a magnetocaloric refrigerant","Journal of Materials Chemistry A","2015","3","13","7157","","10.1039/C4TA06209D","","","0.71073","MoKα","","0.0288","0.0267","","","0.0572","0.0593","","","","","","1.041","","","","has coordinates","233367","2020-10-21","18:00:00",""
"7235833","15.7727","0.0009","4.8184","0.0003","17.7825","0.0008","90","","104.765","0.005","90","","1306.83","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6-difluorobenzo-2,1,3-thiadiazole","","- C14 H6 F2 N2 S3 -","- C14 H6 F2 N2 S3 -","- C56 H24 F8 N8 S12 -","4","1","","Huang, Chi-Feng; Chang, Jen-Yun; Huang, Sin-Hong; Wu, Kuan-Yi; Jheng, Jyun-Fong; Chuang, Wei-Tsung; Hsu, Chain-Shu; Wang, Chien-Lung","Polymorphisms and morphological studies of a difluorobenzothiadiazole conjugated copolymer with 7.8% polymer solar cell efficiency","Journal of Materials Chemistry A","2015","3","7","3968","","10.1039/C4TA06228K","","","1.54178","CuKα","","0.0915","0.0641","","","0.1775","0.1914","","","","","","1.14","","","","has coordinates,has disorder","233369","2020-10-21","18:00:00",""
"7235834","30.9719","0.0012","30.9719","0.0012","15.8055","0.0012","90","","90","","120","","13130.3","1.2","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C55 H56 Co3 N6 O16 -","- C55 H56 Co3 N6 O16 -","- C495 H504 Co27 N54 O144 -","9","0.5","","Zhao, Jun; Dong, Wen-Wen; Wu, Ya-Pan; Wang, Ye-Nan; Wang, Chao; Li, Dong-Sheng; Zhang, Qi-Chun","Two (3,6)-connected porous metal‒organic frameworks based on linear trinuclear [Co3(COO)6] and paddlewheel dinuclear [Cu2(COO)4] SBUs: gas adsorption, photocatalytic behaviour, and magnetic properties","Journal of Materials Chemistry A","2015","3","13","6962","","10.1039/C4TA06537A","","","0.71073","MoKα","","0.0884","0.0787","","","0.172","0.1758","","","","","","1.048","","","","has coordinates,has disorder","233371","2020-10-21","18:00:00",""
"7235835","30","0.0016","30","0.0016","16","0.0002","90","0.002","90","0.003","120","0.003","12470.8","1","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H7 Cu O6 -","- C15 H7 Cu O6 -","- C270 H126 Cu18 O108 -","18","1","","Zhao, Jun; Dong, Wen-Wen; Wu, Ya-Pan; Wang, Ye-Nan; Wang, Chao; Li, Dong-Sheng; Zhang, Qi-Chun","Two (3,6)-connected porous metal‒organic frameworks based on linear trinuclear [Co3(COO)6] and paddlewheel dinuclear [Cu2(COO)4] SBUs: gas adsorption, photocatalytic behaviour, and magnetic properties","Journal of Materials Chemistry A","2015","3","13","6962","","10.1039/C4TA06537A","","","0.71073","MoKα","","0.0619","0.0509","","","0.1508","0.1594","","","","","","1.076","","","","has coordinates","233371","2020-10-21","18:00:00",""
"7235836","23.612","0.002","14.2939","0.0013","33.57","0.003","90","","95.048","0.002","90","","11286.2","1.7","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cr O6 -","- C25 H25 Cr O6 -","- C500 H500 Cr20 O120 -","20","5","","Suttil, J. A.; Kucharyson, J. F.; Escalante-Garcia, I. L.; Cabrera, P. J.; James, B. R.; Savinell, R. F.; Sanford, M. S.; Thompson, L. T.","Metal acetylacetonate complexes for high energy density non-aqueous redox flow batteries","Journal of Materials Chemistry A","2015","3","15","7929","","10.1039/C4TA06622G","","","0.71073","MoKα","","0.104","0.0587","","","0.1446","0.1774","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235837","12.7622","0.0016","15.3268","0.0003","14.8815","0.0011","90","","114.351","0.009","90","","2651.9","0.4","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cr N3 O6 -","- C27 H30 Cr N3 O6 -","- C108 H120 Cr4 N12 O24 -","4","1","","Suttil, J. A.; Kucharyson, J. F.; Escalante-Garcia, I. L.; Cabrera, P. J.; James, B. R.; Savinell, R. F.; Sanford, M. S.; Thompson, L. T.","Metal acetylacetonate complexes for high energy density non-aqueous redox flow batteries","Journal of Materials Chemistry A","2015","3","15","7929","","10.1039/C4TA06622G","","","1.54178","CuKα","","0.04","0.0354","","","0.1012","0.1195","","","","","","1.181","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235838","10.1881","0.0002","10.814","0.0002","13.9887","0.0003","94.475","0.001","92.681","0.001","112.382","0.001","1415.84","0.05","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 Cr O6 -","- C35 H29 Cr O6 -","- C70 H58 Cr2 O12 -","2","1","","Suttil, J. A.; Kucharyson, J. F.; Escalante-Garcia, I. L.; Cabrera, P. J.; James, B. R.; Savinell, R. F.; Sanford, M. S.; Thompson, L. T.","Metal acetylacetonate complexes for high energy density non-aqueous redox flow batteries","Journal of Materials Chemistry A","2015","3","15","7929","","10.1039/C4TA06622G","","","0.71073","MoKα","","0.0722","0.0468","","","0.109","0.1231","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235839","5.224","0.001","8.8026","0.0018","20.434","0.004","90","","96.91","0.03","90","","932.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cd N6 O4 -","- C20 H16 Cd N6 O4 -","- C40 H32 Cd2 N12 O8 -","2","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0582","0.054","","","0.1545","0.1558","","","","","","1.234","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235840","13.696","0.003","12.414","0.003","20.618","0.004","90","","90","","90","","3505.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cd N4 O5 -","- C18 H14 Cd N4 O5 -","- C144 H112 Cd8 N32 O40 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0393","0.0292","","","0.067","0.0701","","","","","","1.083","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235841","11.066","0.002","17.157","0.003","17.935","0.004","63.73","0.03","73.87","0.03","88.05","0.03","2917.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H50 Cd2 N16 O13 -","- C56 H50 Cd2 N16 O13 -","- C112 H100 Cd4 N32 O26 -","2","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.1066","0.063","","","0.1574","0.1847","","","","","","1.081","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235842","9.1017","0.0018","9.1163","0.0018","16.216","0.003","97.35","0.03","98.03","0.03","119.78","0.03","1125.5","0.6","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H40 Cd N18 O10 -","- C40 H40 Cd N18 O10 -","- C40 H40 Cd N18 O10 -","1","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0365","0.0345","","","0.0914","0.0936","","","","","","1.113","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235843","10.161","0.002","12.773","0.003","16.673","0.003","75.01","0.03","89.27","0.03","87.55","0.03","2088.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Cd3 N4 O16 -","- C36 H40 Cd3 N4 O16 -","- C72 H80 Cd6 N8 O32 -","2","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0369","0.0303","","","0.0974","0.111","","","","","","1.132","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235844","28.167","0.006","9.3075","0.0019","17.84","0.004","90","","114.74","0.03","90","","4247.7","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd3 N4 O16 -","- C36 H40 Cd3 N4 O16 -","- C144 H160 Cd12 N16 O64 -","4","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0258","0.0232","","","0.0603","0.0622","","","","","","0.8","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235845","10.259","0.0003","11.6835","0.0003","16.833","0.0004","90","","92.2","0.002","90","","2016.13","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 O8 P2 Si4 -","- C37 H48 O8 P2 Si4 -","- C74 H96 O16 P4 Si8 -","2","0.5","","Styskalik, Ales; Skoda, David; Moravec, Zdenek; Babiak, Michal; Barnes, Craig E.; Pinkas, Jiri","Control of micro/mesoporosity in non-hydrolytic hybrid silicophosphate xerogels","Journal of Materials Chemistry A","2015","3","14","7477","","10.1039/C4TA06823H","","","0.71073","MoKα","","0.0383","0.0306","","","0.0882","0.0906","","","","","","1.112","","","","has coordinates,has disorder","233378","2020-10-21","18:00:00",""
"7235846","14.2222","0.0008","15.0491","0.0014","16.4125","0.0008","105.92","0.001","110.021","0.001","101.537","0.001","3001.3","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H110 Co5 Mo12 N8 Na2 O87 P8 -","- C48 H110 Co5 Mo12 N8 Na2 O87 P8 -","- C48 H110 Co5 Mo12 N8 Na2 O87 P8 -","1","0.5","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0265","0.0245","","","0.0733","0.0747","","","","","","1.062","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235847","22.97","0.004","15.784","0.003","24.183","0.004","90","","92.228","0.002","90","","8761","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H154 Co2 Mo24 N12 O137 P16 -","- C78 H128 Co2 Mo24 N12 O137 P16 -","- C156 H256 Co4 Mo48 N24 O274 P32 -","2","0.5","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0494","0.0467","","","0.1377","0.1401","","","","","","1.053","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235848","29.209","0.011","23.399","0.009","15.388","0.006","90","","90","","90","","10517","7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C78 H165 Co6 Mo24 N12 O152 P18 -","- C78 H165 Co6 Mo24 N12 O152 P18 -","- C156 H330 Co12 Mo48 N24 O304 P36 -","2","0.25","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0394","0.0344","","","0.1073","0.1125","","","","","","1.055","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235849","13.5095","0.0016","14.0897","0.0017","15.3417","0.0018","72.785","0.001","84.827","0.002","74.414","0.002","2686.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H90 Co5 Mo12 N8 Na2 O80 P8 -","- C48 H80 Co5 Mo12 N8 Na2 O80 P8 -","- C48 H80 Co5 Mo12 N8 Na2 O80 P8 -","1","0.5","","Gong, Kaining; Wang, Weijie; Yan, Jinshuang; Han, Zhangang","Highly reduced molybdophosphate as a noble-metal-free catalyst for the reduction of chromium using formic acid as a reducing agent","Journal of Materials Chemistry A","2015","3","11","6019","","10.1039/C4TA06830K","","","0.71073","MoKα","","0.0265","0.025","","","0.0682","0.069","","","","","","1.06","","","","has coordinates","233380","2020-10-21","18:00:00",""
"7235850","13.654","0.003","17.014","0.003","16.235","0.003","90","","109.29","0.002","90","","3559.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N2 O5 -","- C38 H54 N2 O5 -","- C152 H216 N8 O20 -","4","1","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.1205","0.0592","","","0.1122","0.1351","","","","","","1.005","","","","has coordinates","233383","2020-10-21","18:00:00",""
"7235851","9.8804","0.0017","16.659","0.003","18.091","0.003","75.447","0.001","81.26","0.011","74.709","0.009","2768.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H41 N O5 -","- C30 H41 N O5 -","- C120 H164 N4 O20 -","4","2","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.1022","0.0646","","","0.1548","0.1746","","","","","","0.886","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235852","11.3712","0.0006","12.1738","0.0006","14.803","0.001","105.29","0.007","92.938","0.007","113.173","0.008","1789.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H52 N4 O4 -","- C37 H52 N4 O4 -","- C74 H104 N8 O8 -","2","1","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.0836","0.0617","","","0.1573","0.1733","","","","","","1.025","","","","has coordinates","233383","2020-10-21","18:00:00",""
"7235853","8.358","0.003","10.369","0.004","22.108","0.008","98.94","0.006","91.829","0.005","111.105","0.007","1757.7","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H52 N4 O4 -","- C37 H52 N4 O4 -","- C74 H104 N8 O8 -","2","1","","Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme","Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?","Journal of Materials Chemistry A","2015","3","6","2883","","10.1039/C4TA06896C","","","0.71075","MoKα","","0.1816","0.1184","","","0.3289","0.3751","","","","","","1.263","","","","has coordinates,has disorder","233383","2020-10-21","18:00:00",""
"7235854","11.757","0.002","12.192","0.002","21.542","0.004","90","","90","","90","","3087.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 N10 O13 -","- C6 H6 N10 O13 -","- C48 H48 N80 O104 -","8","2","","Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance","Journal of Materials Chemistry A","2015","3","15","8156","","10.1039/C4TA06974A","","","0.71073","MoKα","","0.0717","0.0453","","","0.0843","0.0926","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235855","17.826","0.004","12.307","0.003","10.724","0.002","90","","108.339","0.005","90","","2233.2","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cl2 N14 O14 -","- C9 H8 Cl2 N14 O14 -","- C36 H32 Cl8 N56 O56 -","4","0.5","","Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance","Journal of Materials Chemistry A","2015","3","15","8156","","10.1039/C4TA06974A","","","0.71073","MoKα","","0.1085","0.0491","","","0.087","0.1002","","","","","","1.018","","","","has coordinates","233385","2020-10-21","18:00:00",""
"7235856","7.6324","0.0007","9.7348","0.001","14.8237","0.0013","90","","98.562","0.003","90","","1089.12","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 N16 O18 -","- C8 H4 N16 O18 -","- C16 H8 N32 O36 -","2","0.5","","Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance","Journal of Materials Chemistry A","2015","3","15","8156","","10.1039/C4TA06974A","","","0.71073","MoKα","","0.096","0.0429","","","0.0646","0.0734","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235857","6.6857","0.0001","6.8993","0.0001","10.2681","0.0002","76.7114","0.001","79.0212","0.001","75.8661","0.001","442.447","0.013","173","2","173.09","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N5 O4 -","- C5 H9 N5 O4 -","- C10 H18 N10 O8 -","2","1","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","1.54178","CuKα","","0.0401","0.0323","","","0.0854","0.09","","","","","","1.052","","","","has coordinates","233387","2020-10-21","18:00:00",""
"7235858","7.5409","0.0004","11.4812","0.0006","12.3048","0.0006","90","","106.802","0.001","90","","1019.85","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 F3 N4 O7 S -","- C3 H5 F3 N4 O7 S -","- C12 H20 F12 N16 O28 S4 -","4","1","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","0.71073","MoKα","","0.0365","0.0335","","","0.0877","0.0896","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235859","10.3533","0.0011","13.0615","0.0014","20.06","0.002","107.534","0.002","94.518","0.002","95.584","0.002","2557.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H5 Cl N4 O8 -","- C2 H5 Cl N4 O8 -","- C24 H60 Cl12 N48 O96 -","12","6","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","0.71073","MoKα","","0.0592","0.0481","","","0.1275","0.1366","","","","","","1.024","","","","has coordinates,has disorder","233387","2020-10-21","18:00:00",""
"7235860","6.2235","0.0009","10.5855","0.0015","11.8361","0.0017","111.318","0.002","93.653","0.002","102.778","0.002","699.44","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,2-dinitroacetohydrazonammonium trifluoromethanesulfonate acetonitrile","","- C5 H9 F3 N6 O7 S -","- C5 H9 F3 N6 O7 S -","- C10 H18 F6 N12 O14 S2 -","2","1","","Vo, Thao T.; Shreeve, Jean'ne M.","1,1-Diamino-2,2-dinitroethene (FOX-7) and 1-amino-1-hydrazino-2,2-dinitroethene (HFOX) as amphotères: bases with strong acids","Journal of Materials Chemistry A","2015","3","16","8756","","10.1039/C4TA07098D","","","0.71073","MoKα","","0.0388","0.0338","","","0.0875","0.091","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7235861","12.5824","0.0006","11.7081","0.0007","14.7356","0.0007","90","","114.996","0.003","90","","1967.47","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cu N2 O4 -","- C13 H8 Cu N2 O4 -","- C52 H32 Cu4 N8 O16 -","4","1","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0493","0.0467","","","0.1212","0.1224","","","","","","1.138","","","","has coordinates","233388","2020-10-21","18:00:00",""
"7235862","11.5727","0.0014","12.4292","0.0016","14.4253","0.0017","90","","102.098","0.007","90","","2028.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cu N2 O4 -","- C13 H8 Cu N2 O4 -","- C52 H32 Cu4 N8 O16 -","4","1","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0455","0.0426","","","0.1507","0.1533","","","","","","1.305","","","","has coordinates","233388","2020-10-21","18:00:00",""
"7235863","18.295","0.005","18.295","0.005","69.43","0.018","90","","90","","120","","20125","9","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H41.84 Cu6 N12 O30 -","- C84 H41.844 Cu6 N12 O30 -","- C504 H251.064 Cu36 N72 O180 -","6","0.166667","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.1014","0.0707","","","0.1907","0.2066","","","","","","0.965","","","","has coordinates,has disorder","233388","2020-10-21","18:00:00",""
"7235864","12.599","0.0007","11.8519","0.0007","14.594","0.0008","90","","115.371","0.002","90","","1969","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Cu N3 O4 -","- C12 H7 Cu N3 O4 -","- C48 H28 Cu4 N12 O16 -","4","1","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0541","0.0529","","","0.1363","0.1369","","","","","","1.185","","","","has coordinates","233388","2020-10-21","18:00:00",""
"7235865","18.7846","0.0011","18.7846","0.0011","37.823","0.002","90","","90","","120","","11558.2","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C14 H7 Cu N2 O5 -","- C14 H7 Cu N2 O5 -","- C252 H126 Cu18 N36 O90 -","18","0.5","","Chen, Zhijie; Adil, Karim; Weseliński, Łukasz J.; Belmabkhout, Youssef; Eddaoudi, Mohamed","A supermolecular building layer approach for gas separation and storage applications: the eea and rtl MOF platforms for CO2 capture and hydrocarbon separation","Journal of Materials Chemistry A","2015","3","12","6276","","10.1039/C4TA07115H","","","1.54178","CuKα","","0.0693","0.0589","","","0.2171","0.2213","","","","","","1.659","","","","has coordinates,has disorder","233388","2020-10-21","18:00:00",""
"7236045","9.8401","0.0003","10.0517","0.0003","18.0642","0.0006","90.221","0.003","93.857","0.003","113.891","0.003","1628.99","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Ce N O8 -","- C38 H38 Ce N O8 -","- C76 H76 Ce2 N2 O16 -","2","1","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.037","0.0363","","","0.1021","0.1026","","","","","","1.107","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236046","9.8432","0.0003","10.0408","0.0003","18.0453","0.0007","90.135","0.003","93.963","0.003","113.872","0.003","1626.11","0.1","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H0.5 N O8 Pr -","- C38 H38 N O8 Pr -","- C76 H76 N2 O16 Pr2 -","2","1","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.1085","0.1042","","","0.2893","0.2919","","","","","","1.067","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236047","32.8077","0.0005","35.0306","0.0005","5.7321","0.00015","90","","90","","90","","6587.8","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C66 H54 Eu2 O15 -","- C66 H60 Eu2 O16 -","- C264 H240 Eu8 O64 -","4","0.5","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.1724","0.1415","","","0.3691","0.3963","","","","","","1.093","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236048","32.8303","0.0007","34.9113","0.0008","5.8318","0.0002","90","","90","","90","","6684.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C66 H58 O15 Tm2 -","- C66 H60 O15 Tm2 -","- C264 H240 O60 Tm8 -","4","0.5","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","0.71","MoKα","","0.1383","0.1147","","","0.3191","0.342","","","","","","1.14","","","","has coordinates","233870","2020-10-21","18:00:00",""
"7236049","32.7626","0.0014","34.95","0.002","5.7721","0.0004","90","","90","","90","","6609.4","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H27 O7.58 Yb -","- C33 H27 O7.5 Yb -","- C264 H216 O60 Yb8 -","8","1","","Wang, Xiaoqing; Zhang, Liangliang; Yang, Jie; Liu, Fuling; Dai, Fangna; Wang, Rongming; Sun, Daofeng","Lanthanide metal‒organic frameworks containing a novel flexible ligand for luminescence sensing of small organic molecules and selective adsorption","Journal of Materials Chemistry A","2015","3","24","12777","","10.1039/C5TA00061K","","","1.54184","CuKα","","0.159","0.1248","","","0.3352","0.3658","","","","","","1.182","","","","has coordinates,has disorder","233870","2020-10-21","18:00:00",""
"7236050","14.285","0.009","15.991","0.01","20.393","0.012","69.009","0.009","71.138","0.008","88.044","0.009","4098","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H82 N8 O9 -","- C94 H56 N8 O9 -","- C188 H112 N16 O18 -","2","1","","Li, Xing; Zhang, Jie; Zhao, Yayun; Zhao, Xiuhua; Li, Feng; Li, Taohai; Li, H. L.; Chen, Liang","Trace amount CuII (ppm) and mixture design of CuII/PdII catalyzed Suzuki cross-coupling reactions based on the cooperative interaction of metal with a conjugated pyridylspirobifluorene","Journal of Materials Chemistry A","2015","3","12","6265","","10.1039/C5TA00222B","","","0.71073","MoKα","","0.2907","0.1108","","","0.2902","0.3952","","","","","","0.941","","","","has coordinates","233873","2020-10-21","18:00:00",""
"7236051","12.285","0.005","31.023","0.005","22.686","0.005","90","0.005","94.158","0.005","90","0.005","8623","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H18 Na O24 Zn4 -","- C48 H18 Na O24 Zn4 -","- C192 H72 Na4 O96 Zn16 -","4","0.5","","Zhou, En-Long; Huang, Peng; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A stable luminescent anionic porous metal‒organic framework for moderate adsorption of CO2 and selective detection of nitro explosives","Journal of Materials Chemistry A","2015","3","14","7224","","10.1039/C5TA00231A","","","0.71069","MoKα","","0.0938","0.052","","","0.1197","0.1312","","","","","","0.865","","","","has coordinates,has disorder","233874","2020-10-21","18:00:00",""
"7236052","8.386","0.0013","17.199","0.0015","25.132","0.004","90","0.005","94.182","0.005","90","0.005","3615.2","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H28 N10 O6 Zn2 -","- C34 H28 N10 O6 Zn2 -","- C136 H112 N40 O24 Zn8 -","4","1","","Bao, Shao-Juan; Krishna, Rajamani; He, Ya-Bing; Qin, Jun-Sheng; Su, Zhong-Min; Li, Shun-Li; Xie, Wei; Du, Dong-Ying; He, Wen-Wen; Zhang, Shu-Ran; Lan, Ya-Qian","A stable metal‒organic framework with suitable pore sizes and rich uncoordinated nitrogen atoms on the internal surface of micropores for highly efficient CO2 capture","Journal of Materials Chemistry A","2015","3","14","7361","","10.1039/C5TA00256G","","","0.71069","MoKα","","0.0682","0.0473","","","0.1119","0.1218","","","","","","1.013","","","","has coordinates","233876","2020-10-21","18:00:00",""
"7236053","29.1107","0.0014","10.0415","0.0005","31.3043","0.0014","90","","105.366","0.001","90","","8823.6","0.7","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66 H81 F24 N11 O0 P4 Pb2 S4 -","- C66 H81 F24 N11 P4 Pb2 S4 -","- C264 H324 F96 N44 P16 Pb8 S16 -","4","0.5","","Wang, Fan; Li, Fu-Ling; Xu, Miao-Miao; Yu, Hong; Zhang, Jian-Guo; Xia, Hai-Tao; Lang, Jian-Ping","Facile synthesis of a Ag(i)-doped coordination polymer with enhanced catalytic performance in the photodegradation of azo dyes in water","Journal of Materials Chemistry A","2015","3","11","5908","","10.1039/C5TA00302D","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","233878","2020-10-21","18:00:00",""
"7236054","30.271","0.0004","30.271","0.0004","8.2855","0.0003","90","","90","","90","","7592.3","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H8 N O5 Tb -","- C13 H8 N O5 Tb -","- C208 H128 N16 O80 Tb16 -","16","1","","Qin, Jianhua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei","Aqueous- and vapor-phase detection of nitroaromatic explosives by a water-stable fluorescent microporous MOF directed by an ionic liquid","Journal of Materials Chemistry A","2015","3","24","12690","","10.1039/C5TA00322A","","","0.71073","MoKα","","0.0338","0.0253","","","0.0593","0.0613","","","","","","1.079","","","","has coordinates","233880","2020-10-21","18:00:00",""
"7236055","22.5651","0.001","13.0672","0.0006","14.8064","0.0013","90","","101.227","0.006","90","","4282.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.67 H19.83 N2 O1.25 S7 Sn3 -","- C4.67 H19.84 N2 O1.25 S7 Sn3 -","- C37.36 H158.72 N16 O10 S56 Sn24 -","8","1","","Qi, Xing-Hui; Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Du, Cheng-Feng; Zhang, Bo; Huang, Xiao-Ying","A two-dimensionally microporous thiostannate with superior Cs+ and Sr2+ ion-exchange property","Journal of Materials Chemistry A","2015","3","10","5665","","10.1039/C5TA00566C","","","0.71073","MoKα","","0.0596","0.0509","","","0.1417","0.1507","","","","","","1.005","","","","has coordinates,has disorder","233881","2020-10-21","18:00:00",""
"7236056","22.363","0.005","13.0895","0.0016","14.432","0.003","90","","111.6","0.02","90","","3927.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs2 H9 O4.5 S7 Sn3 -","- Cs2 O4.5 S7 Sn3 -","- Cs16 O36 S56 Sn24 -","8","1","","Qi, Xing-Hui; Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Du, Cheng-Feng; Zhang, Bo; Huang, Xiao-Ying","A two-dimensionally microporous thiostannate with superior Cs+ and Sr2+ ion-exchange property","Journal of Materials Chemistry A","2015","3","10","5665","","10.1039/C5TA00566C","","","0.71073","MoKα","","0.1654","0.0922","","","0.1775","0.2071","","","","","","1.028","","","","has coordinates","233881","2020-10-21","18:00:00",""
"7236057","15.1173","0.0004","16.7483","0.0008","16.9101","0.0006","110.566","0.004","90.03","0.003","100.933","0.003","3925.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H25 N10 O20 Tb3 -","- C54 H25 N10 O20 Tb3 -","- C108 H50 N20 O40 Tb6 -","2","1","","Yang, Yan; Jiang, Feilong; Chen, Lian; Pang, Jiandong; Wu, Mingyan; Wan, Xiuyan; Pan, Jie; Qian, Jinjie; Hong, Maochun","An unusual bifunctional Tb-MOF for highly sensitive sensing of Ba2+ ions and with remarkable selectivities for CO2‒N2 and CO2‒CH4","Journal of Materials Chemistry A","2015","3","25","13526","","10.1039/C5TA00720H","","","1.54184","CuKα","","0.0922","0.0813","","","0.2268","0.2389","","","","","","1.01","","","","has coordinates","233883","2020-10-21","18:00:00",""
"7236058","14.8967","0.0002","14.8967","0.0002","10.0502","0.0003","90","","90","","90","","2230.26","0.08","173","2","173","2","","","","","","","","6","P 42/m","-P 4c","84","","","","- C32 H18 Co2 N3 Na O12 -","- C32 H18 Co2 N3 Na O12 -","- C64 H36 Co4 N6 Na2 O24 -","2","0.25","","Han, Yi; Sheng, Shunan; Yang, Fan; Xie, Yabo; Zhao, Minjian; Li, Jian-Rong","Size-exclusive and coordination-induced selective dye adsorption in a nanotubular metal‒organic framework","Journal of Materials Chemistry A","2015","3","24","12804","","10.1039/C5TA00963D","","","1.54178","CuKα","","0.0814","0.0632","","","0.1874","0.1986","","","","","","1.06","","","","has coordinates","233885","2020-10-21","18:00:00",""
"7236059","20.305","0.005","10.022","0.003","17.22","0.005","90","","90","","90","","3504.2","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H6 In N0 O8 -","- C16 H6 In O8 -","- C64 H24 In4 O32 -","4","0.5","","Liu, Lin; Zhang, Xiao-Nan; Han, Zheng-Bo; Gao, Ming-Liang; Cao, Xiao-Man; Wang, Shi-Ming","An InIII-based anionic metal‒organic framework: sensitization of lanthanide (III) ions and selective absorption and separation of cationic dyes","Journal of Materials Chemistry A","2015","3","27","14157","","10.1039/C5TA00986C","","","0.71073","MoKα","","0.0934","0.0701","","","0.1785","0.1876","","","","","","0.976","","","","has coordinates","233887","2020-10-21","18:00:00",""
"7236060","8.3768","0.0006","9.7336","0.0008","11.0989","0.0009","75.782","0.004","88.91","0.004","79.489","0.004","862.21","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H62 F2 O4 P2 -","- C32 H62 F2 O4 P2 -","- C32 H62 F2 O4 P2 -","1","0.5","","Huang, Jinhua; Azimi, Nasim; Cheng, Lei; Shkrob, Ilya A.; Xue, Zheng; Zhang, Junjie; Dietz Rago, Nancy L.; Curtiss, Larry A.; Amine, Khalil; Zhang, Zhengcheng; Zhang, Lu","An organophosphine oxide redox shuttle additive that delivers long-term overcharge protection for 4 V lithium-ion batteries","Journal of Materials Chemistry A","2015","3","20","10710","","10.1039/C5TA01326G","","","0.71073","MoKα","","0.1119","0.085","","","0.2632","0.2964","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236061","6.2275","0.0011","7.017","0.0012","7.951","0.0013","75.693","0.002","69.567","0.002","64.206","0.002","291.27","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,6,7-triamine","","- C3 H6 N8 -","- C3 H6 N8 -","- C6 H12 N16 -","2","1","","Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic fused triazoles – a promising C–N fused heterocyclic cation","Journal of Materials Chemistry A","2015","3","16","8606","","10.1039/C5TA01329A","","","0.71073","MoKα","","0.0422","0.0386","","","0.1003","0.1038","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236062","6.311","0.002","8.265","0.003","13.717","0.005","73.487","0.005","80.058","0.004","79.551","0.005","669","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-2-ium 3,4,5-trinitropyrazol-1-ide","","- C6 H7 N13 O6 -","- C6 H7 N13 O6 -","- C12 H14 N26 O12 -","2","1","","Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic fused triazoles – a promising C–N fused heterocyclic cation","Journal of Materials Chemistry A","2015","3","16","8606","","10.1039/C5TA01329A","","","0.71073","MoKα","","0.1439","0.0611","","","0.1188","0.1472","","","","","","0.962","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236063","6.33","0.004","6.711","0.004","9.034","0.006","95.533","0.008","90.022","0.007","90.076","0.008","382","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","YP-034","","","- C3 H6.78 Br0.78 N8 -","- C3 H6.7833 Br0.7833 N8 -","- C6 H13.5666 Br1.5666 N16 -","2","1","","Yin, Ping; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic fused triazoles ‒ a promising C‒N fused heterocyclic cation","Journal of Materials Chemistry A","2015","3","16","8606","","10.1039/C5TA01329A","","","0.71073","MoKα","","0.0211","0.0205","","","0.0557","0.0561","","","","","","1.136","","","","has coordinates","233891","2020-10-21","18:00:00",""
"7236064","3.9086","0.0013","7.562","0.003","14.93","0.005","95.806","0.005","91.521","0.005","101.793","0.005","429.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H8 N8 O6 -","- C2 H8 N8 O6 -","- C4 H16 N16 O12 -","2","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0436","0.0325","","","0.0821","0.0878","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236065","9.2802","0.0015","9.412","0.0011","9.6659","0.0014","61.762","0.009","77.352","0.013","64.011","0.009","668.51","0.18","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H4 N6 O4 -","- C2 H4 N6 O4 -","- C8 H16 N24 O16 -","4","2","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0434","0.0337","","","0.085","0.0894","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236066","7.304","0.002","6.3952","0.0018","18.719","0.005","90","","90.354","0.004","90","","874.4","0.4","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O4 -","- C3 H7 N9 O4 -","- C12 H28 N36 O16 -","4","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0405","0.0356","","","0.0814","0.0847","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236067","6.553","0.002","8.471","0.003","9.078","0.003","93.386","0.005","91.224","0.007","98.007","0.005","497.9","0.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H8 N10 O4 -","- C3 H8 N10 O4 -","- C6 H16 N20 O8 -","2","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0463","0.0364","","","0.087","0.0925","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236068","3.5714","0.001","9.496","0.003","12.886","0.004","90","","90.883","0.004","90","","437","0.2","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C3 H6 N10 O2 -","- C3 H6 N10 O2 -","- C6 H12 N20 O4 -","2","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0286","0.0268","","","0.0548","0.0557","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236069","7.9369","0.0018","9.884","0.002","8.6066","0.0019","90","","91.979","0.004","90","","674.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 N7 O4 -","- C2 H5 N7 O4 -","- C8 H20 N28 O16 -","4","1","","Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang","Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials","Journal of Materials Chemistry A","2015","3","28","14768","","10.1039/C5TA01901J","","","0.71073","MoKα","","0.0373","0.0307","","","0.0667","0.0702","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236070","18.1351","0.0016","6.6817","0.0006","9.0685","0.0008","90","","94.199","0.007","90","","1095.91","0.17","340","2","340","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H14 F3 N O2 -","- C8 H14 F3 N O2 -","- C32 H56 F12 N4 O8 -","4","0.5","","Guo, Jiangbin; Tang, Wen; Wu, Binbin; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Thermal energy storage in a supramolecular assembly of [C6H11NH3]+[CF3COO]−(C6H11 = cyclohexyl)","Journal of Materials Chemistry A","2015","3","24","12616","","10.1039/C5TA02166A","","","0.71073","MoKα","","0.1383","0.1154","","","0.3411","0.3855","","","","","","1.418","","","","has coordinates","233896","2020-10-21","18:00:00",""
"7236071","17.264","0.003","6.5684","0.0002","17.7966","0.0019","90","","91.4","0.02","90","","2017.5","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H14 F3 N O2 -","- C8 H14 F3 N O2 -","- C64 H112 F24 N8 O16 -","8","1","","Guo, Jiangbin; Tang, Wen; Wu, Binbin; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Thermal energy storage in a supramolecular assembly of [C6H11NH3]+[CF3COO]−(C6H11 = cyclohexyl)","Journal of Materials Chemistry A","2015","3","24","12616","","10.1039/C5TA02166A","","","0.71073","MoKα","","0.033","0.0301","","","0.0804","0.0833","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236072","19.807","0.0005","15.358","0.0003","23.9322","0.0006","90","","116.709","0.003","90","","6503.3","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 Cd N3 O6 Ru0.5 -","- C18 H9 Cd N3 O6 Ru0.5 -","- C144 H72 Cd8 N24 O48 Ru4 -","8","1","","Zhang, Shuquan; Li, Lina; Zhao, Sangen; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Hierarchical metal‒organic framework nanoflowers for effective CO2transformation driven by visible light","Journal of Materials Chemistry A","2015","3","30","15764","","10.1039/C5TA03322E","","","1.54184","CuKα","","0.0337","0.0299","","","0.0829","0.085","","","","","","1.06","","","","has coordinates","233898","2020-10-21","18:00:00",""
"7236073","24.2929","0.0004","24.2929","0.0004","24.2929","0.0004","90","","90","","90","","14336.3","0.4","180","2","180","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","LMOF-1","","","- C102 H57 O16 Zr3 -","- C102 H57 O16 Zr3 -","- C204 H114 O32 Zr6 -","2","0.0416667","","Zou, Ruyi; Ren, Xueling; Huang, Fang; Zhao, Yifang; Liu, Jia; Jing, Xiping; Liao, Fuhui; Wang, Yinxia; Lin, Jianhua; Zou, Ruqiang; Sun, Junliang","A luminescent Zr-based metal‒organic framework for sensing/capture of nitrobenzene and high-pressure separation of CH4/C2H6","Journal of Materials Chemistry A","2015","3","46","23493","","10.1039/C5TA03361F","","","0.71073","MoKα","","0.1198","0.0931","","","0.2533","0.2763","","","","","","1.016","","","","has coordinates,has disorder","233899","2020-10-21","18:00:00",""
"7236074","24.345","0.004","20.477","0.003","19.098","0.003","90","","90","","90","","9521","3","153","2","153","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C66 H88 N16 Ni2 O21 -","- C50 H32 N12 Ni2 O5 -","- C200 H128 N48 Ni8 O20 -","4","0.5","","Zhang, Lei; Qian, Jinjie; Yang, Wenbin; Kuang, Xiaofei; Zhang, Jun; Cui, Yixin; Wu, Weiming; Wu, Xiao-Yuan; Lu, Can-Zhong; Chen, Wen-Zhe","A (3,8)-connected metal‒organic framework with a unique binuclear [Ni2(μ2-OH)(COO)2] node for high H2 and CO2 adsorption capacities","Journal of Materials Chemistry A","2015","3","30","15399","","10.1039/C5TA03493K","","","0.71073","MoKα","","0.0307","0.0298","","","0.0828","0.0836","","","","","","1.062","","","","has coordinates,has disorder","233901","2020-10-21","18:00:00",""
"7236075","23.452","0.004","23.452","0.004","79.27","0.03","90","","90","","120","","37757","17","296","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C120 H72 O27 Zn8 -","- C120 H72 O27 Zn8 -","- C720 H432 O162 Zn48 -","6","0.333333","","He, Hongming; Song, Yang; Sun, Fuxing; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","A porous metal‒organic framework formed by a V-shaped ligand and Zn(ii) ion with highly selective sensing for nitroaromatic explosives","Journal of Materials Chemistry A","2015","3","32","16598","","10.1039/C5TA03537F","","","0.71073","MoKα","","0.0669","0.0384","","","0.0779","0.084","","","","","","0.86","","","","has coordinates","233903","2020-10-21","18:00:00",""
"7236076","9.0362","0.0015","17.484","0.003","24.772","0.004","69.717","0.003","84.873","0.003","82.904","0.003","3638.3","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H57 Ba2 N O25 -","- C73 H57 Ba2 N O25 -","- C146 H114 Ba4 N2 O50 -","2","1","","Liu, Fuling; Xu, Yuwen; Zhao, Lianming; Zhang, Liangliang; Guo, Wenyue; Wang, Rongming; Sun, Daofeng","Porous barium‒organic frameworks with highly efficient catalytic capacity and fluorescence sensing ability","Journal of Materials Chemistry A","2015","3","43","21545","","10.1039/C5TA03680A","","","0.71073","MoKα","","0.1012","0.0834","","","0.2099","0.2193","","","","","","1.05","","","","has coordinates","233905","2020-10-21","18:00:00",""
"7236077","32.24","0.05","12.209","0.019","8.885","0.013","90","","97.56","0.03","90","","3467","9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Ba N0 O13 -","- C34 H26 Ba O13 -","- C136 H104 Ba4 O52 -","4","0.5","","Liu, Fuling; Xu, Yuwen; Zhao, Lianming; Zhang, Liangliang; Guo, Wenyue; Wang, Rongming; Sun, Daofeng","Porous barium‒organic frameworks with highly efficient catalytic capacity and fluorescence sensing ability","Journal of Materials Chemistry A","2015","3","43","21545","","10.1039/C5TA03680A","","","0.71073","MoKα","","0.1383","0.0849","","","0.2241","0.2995","","","","","","1.013","","","","has coordinates","233905","2020-10-21","18:00:00",""
"7236078","32.2746","0.0007","12.6358","0.0006","8.9507","0.0002","90","","98.533","0.002","90","","3609.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Ba O12 -","- C34 H24 Ba O12 -","- C136 H96 Ba4 O48 -","4","0.5","","Liu, Fuling; Xu, Yuwen; Zhao, Lianming; Zhang, Liangliang; Guo, Wenyue; Wang, Rongming; Sun, Daofeng","Porous barium‒organic frameworks with highly efficient catalytic capacity and fluorescence sensing ability","Journal of Materials Chemistry A","2015","3","43","21545","","10.1039/C5TA03680A","","","1.54184","CuKα","","0.0718","0.0604","","","0.1625","0.1801","","","","","","1.046","","","","has coordinates","233905","2020-10-21","18:00:00",""
"7236079","21.179","0.004","22.56","0.005","23.138","0.005","105.3","0.03","114.19","0.03","102.88","0.03","9012","6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","TMU-18","","- C83 H63 N13 O21 Zn4 -","- C83 H63 N13 O21 Zn4 -","- C166 H126 N26 O42 Zn8 -","2","1","","Tehrani, Alireza Azhdari; Abedi, Sedigheh; Morsali, Ali; Wang, Jun; Junk, Peter C.","Urea-containing metal-organic frameworks as heterogeneous organocatalysts","Journal of Materials Chemistry A","2015","3","40","20408","","10.1039/C5TA03835A","","","0.71073","MoKα","","0.113","0.0688","","","0.1817","0.1952","","","","","","0.897","","","","has coordinates,has disorder","233907","2020-10-21","18:00:00",""
"7236080","21.035","0.004","16.064","0.003","29.891","0.006","90","","90","","90","","10100","3","100","2","100.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","TMU-19","","- C21 H16 N3 O5 Zn -","- C21 H16 N3 O5 Zn -","- C168 H128 N24 O40 Zn8 -","8","1","","Tehrani, Alireza Azhdari; Abedi, Sedigheh; Morsali, Ali; Wang, Jun; Junk, Peter C.","Urea-containing metal-organic frameworks as heterogeneous organocatalysts","Journal of Materials Chemistry A","2015","3","40","20408","","10.1039/C5TA03835A","","","0.71073","MoKα","","0.0903","0.0786","","","0.2428","0.2532","","","","","","1.103","","","","has coordinates,has disorder","233907","2020-10-21","18:00:00",""
"7236081","16.709","0.003","15.867","0.003","8.0026","0.0016","90","","113.96","0.03","90","","1938.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H14.5 Cd N1.5 O4.5 -","- C19 H11 Cd N O4 -","- C76 H44 Cd4 N4 O16 -","4","0.5","","Yao, Shuo; Wang, Dongmei; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two stable 3D porous metal‒organic frameworks with high performance for gas adsorption and separation","Journal of Materials Chemistry A","2015","3","32","16627","","10.1039/C5TA03886C","","","0.71073","MoKα","","0.0315","0.0253","","","0.0627","0.0641","","","","","","1.053","","","","has coordinates","233908","2020-10-21","18:00:00",""
"7236082","19.627","0.003","19.627","0.003","45.856","0.009","90","","90","","120","","15298","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C69 H67 In3 N8 O23 -","- C57 H33 In3 N3 O13 -","- C342 H198 In18 N18 O78 -","6","0.166667","","Yao, Shuo; Wang, Dongmei; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two stable 3D porous metal‒organic frameworks with high performance for gas adsorption and separation","Journal of Materials Chemistry A","2015","3","32","16627","","10.1039/C5TA03886C","","","0.71073","MoKα","","0.0248","0.0237","","","0.0694","0.07","","","","","","1.118","","","","has coordinates","233908","2020-10-21","18:00:00",""
"7236083","15.785","0.002","18.275","0.003","28.066","0.004","104.478","0.003","92.048","0.003","107.86","0.003","7405.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H81 Cd1.33 N3 Nd1.67 O28 -","- C97 H81 Cd1.327 N3 Nd1.673 O28 -","- C194 H162 Cd2.654 N6 Nd3.346 O56 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.127","0.0908","","","0.2509","0.3125","","","","","","1.134","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236084","15.89","0.005","18.596","0.006","28.5","0.01","101.979","0.006","94.414","0.006","108.931","0.005","7697","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H81 Cd1.43 N3 O27 Pr1.57 -","- C97 H81 Cd1.427 N3 O27 Pr1.573 -","- C194 H162 Cd2.854 N6 O54 Pr3.146 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1615","0.1031","","","0.2673","0.3111","","","","","","0.922","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236085","15.813","0.004","18.213","0.004","27.961","0.006","104.736","0.004","91.538","0.004","107.955","0.004","7360","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C104 H104 Cd1.72 N6 O29 Sm1.28 -","- C104 H104 Cd1.717 N6 O29 Sm1.283 -","- C208 H208 Cd3.434 N12 O58 Sm2.566 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1509","0.0868","","","0.2151","0.2537","","","","","","1.025","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236086","15.779","0.008","18.369","0.009","28.064","0.014","103.419","0.009","91.978","0.007","108.705","0.008","7442","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 O26 Tb3 -","- C88 H60 O26 Tb3 -","- C176 H120 O52 Tb6 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.4978","0.2214","","","0.4239","0.5231","","","","","","1.35","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236087","15.116","0.005","15.393","0.005","18.225","0.006","105.732","0.006","106.553","0.006","104.405","0.007","3660","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C44 H30 Cd0.04 O12 Zn1.46 -","- C44 H30 Cd0.042 O12 Zn1.458 -","- C88 H60 Cd0.084 O24 Zn2.916 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.204","0.0987","","","0.2304","0.2641","","","","","","0.826","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236088","15.631","0.005","18.456","0.006","27.517","0.01","80.164","0.007","89.994","0.007","76.264","0.006","7591","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Ca1.75 Cd2.25 O29 -","- C88 H60 Ca1.7515 Cd2.2485 O29 -","- C176 H120 Ca3.503 Cd4.497 O58 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.2152","0.104","","","0.2427","0.2816","","","","","","0.78","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236089","15.462","0.005","16.063","0.005","18.103","0.005","107.12","0.005","102.556","0.005","111.229","0.005","3731","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.2386","0.1328","","","0.3375","0.3781","","","","","","0.912","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236090","15.277","0.002","16.131","0.002","17.297","0.003","67.016","0.003","81.847","0.003","62.703","0.002","3483.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1198","0.0724","","","0.1936","0.2286","","","","","","0.934","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236091","16.1904","0.0018","18.127","0.002","27.495","0.003","75.967","0.002","88.446","0.002","72.71","0.002","7466","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C88 H60 Cd3 O24 -","- C88 H60 Cd3 O24 -","- C176 H120 Cd6 O48 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.169","0.1024","","","0.2452","0.2718","","","","","","1.046","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236092","15.4562","0.0018","16.278","0.002","18.346","0.002","108.559","0.002","103.799","0.002","108.453","0.002","3844","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C112 H116 Cd4 N8 O34 -","- C112 H116 Cd4 N8 O34 -","- C112 H116 Cd4 N8 O34 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1407","0.1026","","","0.2769","0.3398","","","","","","1.134","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236093","15.6469","0.0017","18.471","0.002","27.45","0.003","99.525","0.002","90.063","0.002","103.876","0.002","7588.8","1.4","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H82 Cd4 N3 O30 -","- C97 H82 Cd4 N3 O30 -","- C194 H164 Cd8 N6 O60 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1528","0.0903","","","0.2242","0.273","","","","","","0.949","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236094","15.468","0.005","15.785","0.005","18.038","0.006","107.27","0.006","103.949","0.006","107.163","0.005","3749","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C44 H30 Cd0.29 Co1.21 O12 -","- C44 H30 Cd0.294 Co1.206 O12 -","- C88 H60 Cd0.588 Co2.412 O24 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1766","0.0864","","","0.2012","0.2323","","","","","","0.74","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236095","15.508","0.003","16.241","0.003","18.383","0.004","108.709","0.004","104.279","0.004","107.16","0.004","3880.8","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C94 H74 Cd0.69 Cu3.31 N2 O30 -","- C94 H74 Cd0.688 Cu3.312 N2 O30 -","- C94 H74 Cd0.688 Cu3.312 N2 O30 -","1","0.5","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1684","0.1325","","","0.339","0.391","","","","","","1.244","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236096","15.97","0.002","18.597","0.003","28.434","0.004","100.536","0.002","95.13","0.002","109.615","0.002","7716.2","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C97 H81 Cd1.68 Eu1.32 N3 O27 -","- C97 H81 Cd1.678 Eu1.322 N3 O27 -","- C194 H162 Cd3.356 Eu2.644 N6 O54 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.0974","0.0822","","","0.2001","0.2081","","","","","","1.082","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236097","15.744","0.003","18.343","0.003","28.121","0.005","104.422","0.003","92.252","0.003","108.122","0.003","7415","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C91 H67 Cd1.46 La1.54 N O26 -","- C91 H67 Cd1.455 La1.545 N O26 -","- C182 H134 Cd2.91 La3.09 N2 O52 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.1185","0.0753","","","0.188","0.2261","","","","","","1.016","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236098","15.957","0.004","16.46","0.004","17.3","0.005","106.07","0.006","100.85","0.005","113.408","0.005","3770.9","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl","","- C44 H30 Cd0.87 Mn0.63 O12 -","- C44 H30 Cd0.871 Mn0.629 O12 -","- C88 H60 Cd1.742 Mn1.258 O24 -","2","1","","Seth, Soana; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Diverse isostructural MOFs by postsynthetic metal node metathesis: anionic-to-cationic framework conversion, luminescence and separation of dyes","Journal of Materials Chemistry A","2015","3","45","22915","","10.1039/C5TA04551G","","","0.71073","MoKα","","0.2675","0.1472","","","0.3403","0.401","","","","","","1.131","","","","has coordinates","233910","2020-10-21","18:00:00",""
"7236099","8.517","0.0004","10.3341","0.0004","18.2392","0.0007","104.782","0.004","91.187","0.003","110.479","0.004","1443.35","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O13 Zn2 -","- C29 H24 N2 O13 Zn2 -","- C58 H48 N4 O26 Zn4 -","2","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Liu, Cai-Ping; Zhou, Kang; Chen, Lian; Gai, Yan-Li; Yang, Yan; Hong, Mao-Chun","Rapid and discriminative detection of nitro aromatic compounds with high sensitivity using two zinc MOFs synthesized through a temperature-modulated method","Journal of Materials Chemistry A","2015","3","44","22369","","10.1039/C5TA04552E","","","1.54184","CuKα","","0.0412","0.0368","","","0.0939","0.0966","","","","","","1.047","","","","has coordinates","233913","2020-10-21","18:00:00",""
"7236100","7.8732","0.0004","9.6571","0.0004","12.1461","0.0006","76.894","0.004","89.325","0.004","77.575","0.004","877.71","0.07","173","2","173.02","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O20 Zn4 -","- C30 H22 N2 O20 Zn4 -","- C30 H22 N2 O20 Zn4 -","1","0.5","","Wan, Xiu-Yan; Jiang, Fei-Long; Liu, Cai-Ping; Zhou, Kang; Chen, Lian; Gai, Yan-Li; Yang, Yan; Hong, Mao-Chun","Rapid and discriminative detection of nitro aromatic compounds with high sensitivity using two zinc MOFs synthesized through a temperature-modulated method","Journal of Materials Chemistry A","2015","3","44","22369","","10.1039/C5TA04552E","","","1.54184","CuKα","","0.0328","0.027","","","0.0746","0.0785","","","","","","1.028","","","","has coordinates","233913","2020-10-21","18:00:00",""
"7236101","18.04","0.002","18.04","0.002","18.04","0.002","90","","90","","90","","5871","1.1","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C12 H0 Cu16 N8 O0 S24 Sn6 -","- C12 Cu16 N8 S24 Sn6 -","- C48 Cu64 N32 S96 Sn24 -","4","0.0416667","","Nie, Lina; Zhang, Yu; Ye, Kaiqi; Han, Jianyu; Wang, Yue; Rakesh, Ganguly; Li, Yongxin; Xu, Rong; Yan, Qingyu; Zhang, Qichun","A crystalline Cu‒Sn‒S framework for high-performance lithium storage","Journal of Materials Chemistry A","2015","3","38","19410","","10.1039/C5TA04699H","","","0.71073","MoKα","","0.0525","0.0374","","","0.1058","0.1157","","","","","","1.118","","","","has coordinates","233915","2020-10-21","18:00:00",""
"7236102","26.7264","0.0013","26.7264","0.0013","26.7264","0.0013","90","","90","","90","","19090.7","1.6","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C240 H288 N36 O90 Tb6 -","- C231 H96 N39 O67 Tb6 -","- C462 H192 N78 O134 Tb12 -","2","0.0416667","","Han, Yun-Hu; Tian, Chong-Bin; Lin, Ping; Du, Shao-Wu","An unprecedented anionic Ln-MOF with a cage-within-cage motif: spontaneous reduction and immobilization of ion-exchanged Pd(ii) to Pd-NPs in the framework","Journal of Materials Chemistry A","2015","3","48","24525","","10.1039/C5TA04937G","","","0.71073","MoKα","","0.0715","0.0628","","","0.1466","0.1521","","","","","","1.196","","","","has coordinates,has disorder","233917","2020-10-21","18:00:00",""
"7236103","11.6692","0.0004","12.2365","0.0004","13.6586","0.0006","65.229","0.004","67.518","0.004","88.435","0.003","1615.62","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H24 Eu3 O26 -","- C48 H24 Eu3 O26 -","- C48 H24 Eu3 O26 -","1","0.5","","Meng, Qingguo; Xin, Xuelian; Zhang, Liangliang; Dai, Fangna; Wang, Rongming; Sun, Daofeng","A multifunctional Eu MOF as a fluorescent pH sensor and exhibiting highly solvent-dependent adsorption and degradation of rhodamine B","Journal of Materials Chemistry A","2015","3","47","24016","","10.1039/C5TA04989J","","","0.71073","MoKα","","0.0409","0.0321","","","0.0819","0.0865","","","","","","1.071","","","","has coordinates","233919","2020-10-21","18:00:00",""
"7236104","19.2106","0.0011","13.5093","0.0007","18.6918","0.0016","90","","116.602","0.002","90","","4337.4","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N4 O6 -","- C19 H17 Co N4 O6 -","- C152 H136 Co8 N32 O48 -","8","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.1774","0.1249","","","0.302","0.3408","","","","","","1.921","","","","has coordinates,has disorder","233921","2020-10-21","18:00:00",""
"7236105","38.226","0.007","13.456","0.002","33.945","0.007","90","","110.132","0.011","90","","16393","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Co2 N8 O14 -","- C68 H59 Co2 N8 O14 -","- C544 H472 Co16 N64 O112 -","8","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.183","0.0803","","","0.1887","0.2274","","","","","","0.893","","","","has coordinates","233921","2020-10-21","18:00:00",""
"7236106","10.4589","0.0014","13.3445","0.0017","18.115","0.002","90","","90.25","","90","","2528.3","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Co N4 O7 -","- C25 H26 Co N4 O7 -","- C100 H104 Co4 N16 O28 -","4","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.0487","0.0406","","","0.1201","0.1241","","","","","","1.056","","","","has coordinates","233921","2020-10-21","18:00:00",""
"7236107","19.2342","0.0013","13.4738","0.001","18.5923","0.0013","90","","116.139","0.002","90","","4325.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N4 O4 -","- C19 H20 Co N4 O4 -","- C152 H160 Co8 N32 O32 -","8","1","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution","Journal of Materials Chemistry A","2015","3","40","20288","","10.1039/C5TA05210F","","","0.71073","MoKα","","0.2186","0.124","","","0.2969","0.3184","","","","","","1.675","","","","has coordinates","233921","2020-10-21","18:00:00",""
"7236108","5.2626","0.0015","8.591","0.002","20.393","0.006","90","","90","","90","","922","0.4","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H2 N8 O6 -","- C5 H2 N8 O6 -","- C20 H8 N32 O24 -","4","1","","Schulze, M. C.; Scott, B. L.; Chavez, D. E.","A high density pyrazolo-triazine explosive (PTX)","Journal of Materials Chemistry A","2015","3","35","17963","","10.1039/C5TA05291B","","","0.71073","MoKα","","0.0473","0.0361","","","0.0891","0.0943","","","","","","1.156","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236109","18.5943","0.0003","18.5943","0.0003","38.7113","0.0006","90","","90","","120","","11591.2","0.3","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25 H11 Cu2 N O10 -","- C25 H11 Cu2 N O10 -","- C225 H99 Cu18 N9 O90 -","9","0.25","","Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing","The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","38","19417","","10.1039/C5TA05481H","","","1.54184","CuKα","","0.0969","0.0889","","","0.259","0.2763","","","","","","1.239","","","","has coordinates,has disorder","233924","2020-10-21","18:00:00",""
"7236110","18.6463","0.0004","18.6463","0.0004","38.5563","0.0011","90","","90","","120","","11609.4","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25 H11 Cu2 N O10 -","- C25 H11 Cu2 N O10 -","- C225 H99 Cu18 N9 O90 -","9","0.25","","Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing","The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","38","19417","","10.1039/C5TA05481H","","","1.54184","CuKα","","0.1032","0.0944","","","0.2761","0.2937","","","","","","1.299","","","","has coordinates,has disorder","233924","2020-10-21","18:00:00",""
"7236111","18.5565","0.0004","18.5565","0.0004","38.6189","0.0008","90","","90","","120","","11516.6","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C25 H16 Cu2 N2 O11 -","- C24 H10 Cu2 N2 O10 -","- C216 H90 Cu18 N18 O90 -","9","0.25","","Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing","The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks","Journal of Materials Chemistry A","2015","3","38","19417","","10.1039/C5TA05481H","","","1.54184","CuKα","","0.0621","0.0578","","","0.1788","0.1864","","","","","","1.059","","","","has coordinates,has disorder","233924","2020-10-21","18:00:00",""
"7236112","14.3649","0.0009","15.5751","0.001","16.3871","0.0012","72.966","0.007","73.45","0.006","68.665","0.006","3199.2","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C121 H110 N7 O28 Rh4 -","- C121 H110 N7 O28 Rh4 -","- C121 H110 N7 O28 Rh4 -","1","0.5","","Chen, Lianfen; Yang, Tao; Cui, Hao; Cai, Tao; Zhang, Li; Su, Cheng-Yong","A porous metal‒organic cage constructed from dirhodium paddle-wheels: synthesis, structure and catalysis","Journal of Materials Chemistry A","2015","3","40","20201","","10.1039/C5TA05592J","","","1.54178","CuKα","","0.0905","0.0591","","","0.1697","0.1986","","","","","","1.036","","","","has coordinates","233927","2020-10-21","18:00:00",""
"7236113","7.0958","0.0002","8.6167","0.0002","11.0839","0.0003","90","","102.365","0.001","90","","661.98","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N6 O2 -","- C4 H4 N6 O2 -","- C16 H16 N24 O8 -","4","1","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings","Journal of Materials Chemistry A","2015","3","46","23143","","10.1039/C5TA06898C","","","0.71073","MoKα","","0.0335","0.0305","","","0.0858","0.0887","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236114","6.5964","0.0003","7.4775","0.0003","17.4904","0.0007","90","","97.043","0.002","90","","856.2","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N7 O5 -","- C4 H5 N7 O5 -","- C16 H20 N28 O20 -","4","1","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings","Journal of Materials Chemistry A","2015","3","46","23143","","10.1039/C5TA06898C","","","0.71073","MoKα","","0.0691","0.0363","","","0.081","0.0943","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236115","26.968","0.002","4.0185","0.0003","18.7676","0.0014","90","","99.579","0.005","90","","2005.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N8 O6 -","- C4 H8 N8 O6 -","- C32 H64 N64 O48 -","8","1","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings","Journal of Materials Chemistry A","2015","3","46","23143","","10.1039/C5TA06898C","","","0.71073","MoKα","","0.0969","0.0455","","","0.1107","0.1598","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236116","8.4484","0.0006","13.6023","0.0009","15.2391","0.001","90","","97.453","0.003","90","","1736.4","0.2","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(3,5-difluorophenoxy) silicon phthalocyanine","","- C44 H22 F4 N8 O2 Si -","- C44 H22 F4 N8 O2 Si -","- C88 H44 F8 N16 O4 Si2 -","2","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0335","0.0301","","","0.0767","0.0792","","","","","","1.034","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236117","9.6397","0.0013","19.771","0.003","10.0445","0.001","90","","118.661","0.008","90","","1679.8","0.4","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2,4,6-trifluorophenoxy) silicon phthalocyanine","","- C44 H20 F6 N8 O2 Si -","- C44 H20 F6 N8 O2 Si -","- C88 H40 F12 N16 O4 Si2 -","2","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0991","0.0657","","","0.1583","0.1755","","","","","","1.054","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236118","10.2098","0.0006","17.6974","0.0013","10.7963","0.0007","90","","117.669","0.003","90","","1727.7","0.2","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3,4,5-trifluorophenoxy) silicon phthalocyanine","","- C44 H20 F6 N8 O2 Si -","- C44 H20 F6 N8 O2 Si -","- C88 H40 F12 N16 O4 Si2 -","2","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0372","0.0321","","","0.0819","0.085","","","","","","1.041","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236119","8.4175","0.0008","10.1685","0.0009","11.5194","0.001","72.562","0.003","69.559","0.003","81.366","0.003","880.3","0.14","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","bis(2,3,4,6-tetrafluorophenoxy) silicon phthalocyanine","","- C44 H18 F8 N8 O2 Si -","- C44 H18 F8 N8 O2 Si -","- C44 H18 F8 N8 O2 Si -","1","0.5","","Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P.","The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices","Journal of Materials Chemistry A","2015","3","48","24512","","10.1039/C5TA07173A","","","1.54178","CuKα","","0.0317","0.0311","","","0.0819","0.0825","","","","","","1.061","","","","has coordinates","233933","2020-10-21","18:00:00",""
"7236120","27.768","0.0011","7.9","0.0006","18.298","0.0014","90","","108.329","0.0015","90","","3810.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl0 N5 O11 Zn2 -","- C20 H22 N5 O11 Zn2 -","- C80 H88 N20 O44 Zn8 -","4","0.5","","Zhang, Shu-Ran; Li, Jing; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Su, Zhong-Min; Lan, Ya-Qian","A multifunctional microporous anionic metal‒organic framework for column-chromatographic dye separation and selective detection and adsorption of Cr3+","Journal of Materials Chemistry A","2015","3","46","23426","","10.1039/C5TA07427D","","","0.71069","MoKα","","0.0596","0.0479","","","0.1387","0.1464","","","","","","0.834","","","","has coordinates","233934","2020-10-21","18:00:00",""
"7236145","15.4537","0.0014","9.1572","0.0008","43.467","0.004","90","","92.602","0.004","90","","6144.8","1","173.15","","173.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H37 Cl N3 O5 -","- C32 H37 Cl N3 O5 -","- C256 H296 Cl8 N24 O40 -","8","1","","Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice","Journal of Materials Chemistry B","2015","3","32","6634","","10.1039/C5TB00676G","","","0.71073","MoKα","","0.1662","0.0937","","","0.2513","0.2803","","","","","","1.04","","","","has coordinates,has disorder","233962","2020-10-21","18:00:00",""
"7236146","10.9","0.011","11.786","0.012","24.64","0.03","102.078","0.012","90.025","0.013","113.655","0.012","2823","5","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H82 Cl2 N6 O17 -","- C50 H82 Cl2 N6 O17 -","- C100 H164 Cl4 N12 O34 -","2","1","","Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice","Journal of Materials Chemistry B","2015","3","32","6634","","10.1039/C5TB00676G","","","0.71073","MoKα","","0.1915","0.0741","","","0.1572","0.1891","","","","","","0.924","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236147","19.7987","0.0004","10.3272","0.0003","27.5213","0.0004","90","","95.515","0.001","90","","5601.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N4 O4 Sn -","- C26 H36 N4 O4 Sn -","- C208 H288 N32 O32 Sn8 -","8","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.0892","0.055","","","0.1315","0.1511","","","","","","1.019","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236148","8.6061","0.0002","11.9693","0.0002","12.7463","0.0002","105.872","0.001","91.998","0.001","95.725","0.001","1253.97","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 N3 O5 Sn -","- C27 H21 N3 O5 Sn -","- C54 H42 N6 O10 Sn2 -","2","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.0469","0.0365","","","0.0972","0.1035","","","","","","1.225","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236149","9.845","0.0012","8.6454","0.001","28.744","0.003","90","","93.078","0.001","90","","2443","0.5","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O2 Sn -","- C30 H22 N2 O2 Sn -","- C120 H88 N8 O8 Sn4 -","4","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.031","0.0287","","","0.073","0.0748","","","","","","1.065","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236150","11.1871","0.0013","15.2135","0.0018","17.015","0.002","109.408","0.001","98.162","0.001","110.771","0.001","2440.4","0.5","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N3 O4 Sn -","- C26 H29 N3 O4 Sn -","- C104 H116 N12 O16 Sn4 -","4","2","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.052","0.0407","","","0.0976","0.1046","","","","","","1.039","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236151","9.9567","0.0018","10.633","0.002","12.581","0.002","111.606","0.002","93.531","0.002","93.129","0.002","1231.7","0.4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 N3 O4 Sn -","- C30 H21 N3 O4 Sn -","- C60 H42 N6 O8 Sn2 -","2","1","","Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo","New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging","Journal of Materials Chemistry B","2015","3","28","5731","","10.1039/C5TB00717H","","","0.71073","MoKα","","0.0566","0.0457","","","0.1025","0.1085","","","","","","1.013","","","","has coordinates","233965","2020-10-21","18:00:00",""
"7236152","19.299","0.005","16.646","0.005","16.423","0.005","90","0.005","103.904","0.005","90","0.005","5121","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 F12 N6 P2 S2 Zn -","- C50 H46 F12 N6 P2 S2 Zn -","- C200 H184 F48 N24 P8 S8 Zn4 -","4","1","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71069","MoKα","","0.2039","0.0705","","","0.1601","0.2274","","","","","","0.961","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236153","14.035","0.004","14.277","0.004","15.099","0.005","63.305","0.003","79.986","0.004","84.168","0.004","2660.9","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 I2 N3 S Zn -","- C25 H23 I2 N3 S Zn -","- C100 H92 I8 N12 S4 Zn4 -","4","2","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71073","MoKα","","0.1709","0.0654","","","0.1399","0.1751","","","","","","0.98","","","","has coordinates","233967","2020-10-21","18:00:00",""
"7236154","38.02","0.017","12.719","0.006","11.416","0.005","90","","96.376","0.007","90","","5486","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N3 S -","- C33 H29 N3 S -","- C264 H232 N24 S8 -","8","2","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71073","MoKα","","0.2785","0.0791","","","0.0624","0.085","","","","","","0.966","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236155","8.2244","0.0016","10.228","0.002","14.193","0.003","70.91","0.03","81.49","0.03","72.81","0.03","1076.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 S -","- C25 H23 N3 S -","- C50 H46 N6 S2 -","2","1","","Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa","A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging","Journal of Materials Chemistry B","2015","3","36","7213","","10.1039/C5TB01185J","","","0.71073","MoKα","","0.0634","0.045","","","0.1471","0.1687","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236156","39.898","0.004","10.028","0.0008","22.1207","0.0014","90","","107.029","0.007","90","","8462.4","1.3","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ru-Uracil","Ru-Uracil","","- C37 H33 F12 N9 O4 P2 Ru -","- C37 H33 F12 N9 O4 P2 Ru -","- C296 H264 F96 N72 O32 P16 Ru8 -","8","1","","Ramu, Vadde; Ali, Firoj; Taye, Nandaraj; Garai, Bikash; Alam, Aftab; Chattopadhyay, Samit; Das, Amitava","New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells","Journal of Materials Chemistry B","2015","3","36","7177","","10.1039/C5TB01309G","","","0.71073","MoKα","","0.1609","0.0812","","","0.1504","0.1662","","","","","","1.606","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7238735","9.573","0.0005","15.2408","0.0009","16.3095","0.001","90","","91.996","0.002","90","","2378.1","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H90 N2 O13 -","- C36 H90 N2 O13 -","- C72 H180 N4 O26 -","2","1","","Rouch, Anne; Castellan, Tessa; Fabing, Isabelle; Saffon, Nathalie; Rodriguez, Jean; Constantieux, Thierry; Plaquevent, Jean-Christophe; Génisson, Yves","Tartrate-based ionic liquids: unified synthesis and characterisation","RSC Adv.","2013","3","2","413","","10.1039/C2RA21637J","","","0.71073","MoKα","","0.0953","0.0625","","","0.1579","0.1808","","","","","","1.031","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238745","14.8729","0.0016","18.838","0.002","17.819","0.002","90","","111.125","0.002","90","","4656.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H81 N2 O2 Zr3 -","- C46 H81 N2 O2 Zr3 -","- C184 H324 N8 O8 Zr12 -","4","1","","Mukherjee, Arup; Sen, Tamal K.; Mandal, Swadhin K.; Maity, Bholanath; Koley, Debasis","Construction of oxygen-bridged multimetallic assembly: dual catalysts for hydroamination reactions","RSC Adv.","2013","3","4","1255","","10.1039/C2RA21778C","","","0.71073","MoKα","","0.0309","0.0238","","","0.0617","0.0664","","","","","","1.087","","","","has coordinates","244326","2020-10-21","18:00:00",""
"7238757","9.8376","0.0014","9.1284","0.0012","15.0458","0.0019","90","","95.922","0.009","90","","1343.9","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 B Cl4 F2 N2 O -","- C10 H5 B Cl4 F2 N2 O -","- C40 H20 B4 Cl16 F8 N8 O4 -","4","1","","Wang, Lu; Zhang, Yuhui; Xiao, Yi","meso-Alkoxy BODIPYs with a good balance between larger Stokes shifts and higher fluorescence quantum yields","RSC Advances","2013","3","7","2203","","10.1039/c2ra21920d","","","0.71073","MoKα","","0.0475","0.0384","","","0.1098","0.1159","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238762","6.3422","0.001","9.6502","0.0005","40.63","0.004","90","","90","","90","","2486.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F N2 O6 -","- C27 H25 F N2 O6 -","- C108 H100 F4 N8 O24 -","4","1","","Sen, Subhabrata; Kamma, Siva R.; Gundla, Rambabu; Adepally, Uma; Kuncha, Santosh; Thirnathi, Sridhar; Prasad, U. Viplava","A reagent based DOS strategy via Evans chiral auxiliary: highly stereoselective Michael reaction towards optically active quinolizidinones, piperidinones and pyrrolidinones","RSC Advances","2013","3","7","2404","","10.1039/c2ra22115b","","","1.54184","CuKα","","0.0627","0.0453","","","0.1046","0.1163","","","","","","0.934","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238764","9.5021","0.0013","11.2799","0.0014","24.739","0.003","90","","95.125","0.008","90","","2641","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 S -","- C22.4 H30.4 N3.2 S0.8 -","- C112 H152 N16 S4 -","5","1.25","","Sahoo, Santosh K.; Khatun, Nilufa; Gogoi, Anupal; Deb, Arghya; Patel, Bhisma K.","Cu(ii) catalysed chemoselective oxidative transformation of thiourea to thioamidoguanidine/2-aminobenzothiazole","RSC Adv.","2013","3","2","438","","10.1039/C2RA22240J","","","0.71073","MoKα","","0.1134","0.057","","","0.1242","0.1421","","","","","","1.045","","","","has coordinates","244338","2020-10-21","18:00:00",""
"7238765","10.1289","0.0003","11.2225","0.0003","11.7532","0.0004","94.059","0.002","112.599","0.002","107.266","0.002","1151.66","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Br2 N2 O2 S2 -","- C11 H11 Br N2 O S -","- C44 H44 Br4 N8 O4 S4 -","4","2","","Sahoo, Santosh K.; Khatun, Nilufa; Gogoi, Anupal; Deb, Arghya; Patel, Bhisma K.","Cu(ii) catalysed chemoselective oxidative transformation of thiourea to thioamidoguanidine/2-aminobenzothiazole","RSC Adv.","2013","3","2","438","","10.1039/C2RA22240J","","","0.71073","MoKα","","0.0851","0.0435","","","0.0836","0.0866","","","","","","1.383","","","","has coordinates","244338","2020-10-21","18:00:00",""
"7238771","7.5536","0.0004","18.6217","0.0006","14.9419","0.0013","90","","93.727","0.006","90","","2097.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl2 Cu N2 -","- C26 H17 Cl2 Cu N2 -","- C104 H68 Cl8 Cu4 N8 -","4","1","","Kundu, Suman; Biswas, Manas Kumar; Banerjee, Ananya; Bhadra, Kakali; Kumar, Gopinatha Suresh; Drew, Michael G. B.; Bhadra, Ranjan; Ghosh, Prasanta","Synthesis, structure and DNA binding studies of 9-phenyldibenzo[a,c] phenazin-9-ium","RSC Advances","2013","3","9","3054","","10.1039/c2ra22317a","","","0.71073","MoKα","","0.0606","0.0322","","","0.0789","0.088","","","","","","0.856","","","","has coordinates","244340","2020-10-21","18:00:00",""
"7238772","16.0226","0.001","21.7926","0.0011","8.8475","0.0006","90","","90","","90","","3089.3","0.3","393","2","393","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H31 Co Fe O P2 S2 -","- C34 H31 Co Fe O P2 S2 -","- C136 H124 Co4 Fe4 O4 P8 S8 -","4","0.5","","Gao, Hui; Huang, Jing; Chen, Limin; Liu, Ruliang; Chen, Jinzhu","Synthesis, characterization and computational study of heterobimetallic CoFe complexes for mimicking hydrogenase","RSC Advances","2013","3","11","3557","","10.1039/c2ra22388k","","","0.71073","MoKα","","0.0471","0.0352","","","0.0862","0.0904","","","","","","0.98","","","","has coordinates","244341","2020-10-21","18:00:00",""
"7238773","9.2896","0.0016","19.504","0.004","20.846","0.004","90","","90","","90","","3777","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C184 H136 Cl8 N16 O24 -","8","1","","Khurana, Jitender M.; Lumb, Anshika; Chaudhary, Ankita; Nand, Bhaskara","Synthesis and in vitro evaluation of antioxidant activity of diverse naphthopyranopyrimidines, diazaanthra[2,3-d][1,3]dioxole-7,9-dione and tetrahydrobenzo[a]xanthen-11-ones","RSC Adv.","2013","3","6","1844","","10.1039/C2RA22406B","","","0.71073","MoKα","","0.0785","0.0552","","","0.1161","0.126","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238776","5.8519","0.0004","11.3138","0.0008","15.5758","0.0011","76.561","0.004","84.861","0.003","89.129","0.003","998.94","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 F2 N2 O3 -","- C23 H24 F2 N2 O3 -","- C46 H48 F4 N4 O6 -","2","1","","Dandia, Anshu; Jain, Anuj K.; Sharma, Sonam","CuFe2O4 nanoparticles as a highly efficient and magnetically recoverable catalyst for the synthesis of medicinally privileged spiropyrimidine scaffolds","RSC Advances","2013","3","9","2924","","10.1039/c2ra22477a","","","0.71073","MoKα","","0.0784","0.0558","","","0.1642","0.2024","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238777","5.86514","0.00013","14.6361","0.0003","18.7566","0.0003","90","","94.0394","0.0018","90","","1606.12","0.05","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","D469","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C72 H76 N12 S4 -","4","1","","Jishkariani, Davit; Hall, C. Dennis; Oliferenko, Alexander; Tomlin, Blake J.; Steel, Peter J.; Katritzky, Alan R.","Thermal fragmentation of spirodithiohydantoins: A novel route to NHCs","RSC Adv.","2013","3","6","1669","","10.1039/C2RA22487A","","","1.54184","CuKα","","0.0426","0.0335","","","0.0865","0.0937","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238781","16.348","0.003","16.635","0.003","20.293","0.004","89.29","0.03","87.12","0.03","68.48","0.03","5127","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H93 Cd2 N7 Ni2 O19 -","- C68 H64 Cd2 N4 Ni2 O16 -","- C136 H128 Cd4 N8 Ni4 O32 -","2","1","","Ren, Yanwei; Shi, Yanchao; Chen, Junxian; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng","Ni(salphen)-based metal‒organic framework for the synthesis of cyclic carbonates by cycloaddition of CO2 to epoxides","RSC Advances","2013","3","7","2167","","10.1039/c2ra22550f","","","0.71073","MoKα","","0.1333","0.081","","","0.2369","0.265","","","","","","0.947","","","","has coordinates","244348","2020-10-21","18:00:00",""
"7238782","9.924","0.0011","12.4951","0.0014","8.6343","0.0009","90","","90","","90","","1070.7","0.2","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 N O5 P Zn -","- C9 H10 N O5 P Zn -","- C36 H40 N4 O20 P4 Zn4 -","4","1","","Chu, Wei; Zhu, Yan-Yu; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Jing; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Zinc(ii) and cadmium(ii) carboxyphosphonates with a 3D pillared-layered structure: synthesis, crystal structures, high thermal stabilities and luminescent properties","RSC Adv.","2013","3","2","623","","10.1039/C2RA22571A","","","0.71073","MoKα","","0.072","0.048","","","0.0847","0.0934","","","","","","1.036","","","","has coordinates","244349","2020-10-21","18:00:00",""
"7238783","7.6418","0.0011","12.739","0.0018","24.237","0.004","90","","90","","90","","2359.4","0.6","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd Cl N O5 P -","- C9 H11 Cd Cl N O5 P -","- C72 H88 Cd8 Cl8 N8 O40 P8 -","8","1","","Chu, Wei; Zhu, Yan-Yu; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Jing; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Zinc(ii) and cadmium(ii) carboxyphosphonates with a 3D pillared-layered structure: synthesis, crystal structures, high thermal stabilities and luminescent properties","RSC Adv.","2013","3","2","623","","10.1039/C2RA22571A","","","0.71073","MoKα","","0.0663","0.0382","","","0.075","0.0862","","","","","","1.007","","","","has coordinates","244349","2020-10-21","18:00:00",""
"7238784","15.143","0.0004","13.8141","0.0004","17.0179","0.0005","90","","90","","90","","3559.92","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N3 O4 -","- C23 H15 N3 O4 -","- C184 H120 N24 O32 -","8","1","","Goswami, Shyamaprosad; Aich, Krishnendu; Das, Avijit Kumar; Manna, Abhishek; Das, Sangita","A naphthalimide–quinoline based probe for selective, fluorescence ratiometric sensing of trivalent ions","RSC Advances","2013","3","7","2412","","10.1039/c2ra22624c","","","0.71073","MoKα","","0.055","0.0394","","","0.1237","0.1561","","","","","","0.627","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7238785","10.1813","0.0014","11.4717","0.0015","13.7287","0.0018","92.49","0.002","91.719","0.002","107.966","0.002","1522.3","0.4","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cl N3 O -","- C13 H15 Cl N3 O -","- C52 H60 Cl4 N12 O4 -","4","2","","Xiang, Dexuan; Bi, Xihe; Liao, Peiqiu; Fang, Guichun; Wang, Zikun; Xin, Xiaoqing; Dong, Dewen","Solvent-controlled, regio-switchable formation of 3-/5-arylaminopyrazole isomer in cyclocondensation of β-aminoenones with hydrazides: intermolecular hydrogen bonding plays a role","RSC Adv.","2013","3","2","386","","10.1039/C2RA22647B","","","0.71073","MoKα","","0.1146","0.0779","","","0.2134","0.2315","","","","","","1.061","","","","has coordinates","244351","2020-10-21","18:00:00",""
"7238786","9.012","0.003","9.445","0.002","15.967","0.004","90","","90","","90","","1359.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl0 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Xiang, Dexuan; Bi, Xihe; Liao, Peiqiu; Fang, Guichun; Wang, Zikun; Xin, Xiaoqing; Dong, Dewen","Solvent-controlled, regio-switchable formation of 3-/5-arylaminopyrazole isomer in cyclocondensation of β-aminoenones with hydrazides: intermolecular hydrogen bonding plays a role","RSC Adv.","2013","3","2","386","","10.1039/C2RA22647B","","","0.71069","MoKα","","0.0677","0.0547","","","0.1391","0.148","","","","","","1.067","","","","has coordinates","244351","2020-10-21","18:00:00",""
"7238787","24.007","0.0017","13.3108","0.0007","24.2954","0.0014","90","","90","","90","","7763.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H40 N6 O S3 -","- C46 H40 N6 O S3 -","- C368 H320 N48 O8 S24 -","8","1","","Elumalai, Palani; Rajakannu, Palanisamy; Hussain, Firasat; Sathiyendiran, Malaichamy","Design strategy for arranging an aromatic cyclic trimer into a tripodal molecule","RSC Advances","2013","3","7","2171","","10.1039/c2ra22679k","","","0.71073","MoKα","","0.158","0.0909","","","0.1479","0.1739","","","","","","1.133","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238788","17.2659","0.0004","14.8731","0.0004","18.4787","0.0005","90","","94.267","0.003","90","","4732.1","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H64 B2 N2 -","- C57 H64 B2 N2 -","- C228 H256 B8 N8 -","4","1","","Mirjafari, Arsalan; Pham, Lam N.; McCabe, John R.; Mobarrez, Niloufar; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Sykora, Richard E.; Davis, James H.","Building a bridge between aprotic and protic ionic liquids","RSC Adv.","2013","3","2","337","","10.1039/C2RA22752E","","","0.71073","MoKα","","0.064","0.0433","","","0.0944","0.1044","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238789","12.1683","0.0006","13.3609","0.0004","16.6212","0.0008","90","","98.35","0.004","90","","2673.6","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 F12 N4 O8 S4 -","- C12 H20 F12 N4 O8 S4 -","- C48 H80 F48 N16 O32 S16 -","4","1","","Mirjafari, Arsalan; Pham, Lam N.; McCabe, John R.; Mobarrez, Niloufar; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Sykora, Richard E.; Davis, James H.","Building a bridge between aprotic and protic ionic liquids","RSC Adv.","2013","3","2","337","","10.1039/C2RA22752E","","","0.71073","MoKα","","0.0862","0.0547","","","0.1189","0.1375","","","","","","1.023","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238790","5.9527","0.0003","10.0187","0.0005","20.8776","0.001","90","","90","","90","","1245.1","0.11","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C60 H44 N12 S4 -","4","1","","Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng","Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide","RSC Advances","2013","3","8","2710","","10.1039/c2ra22799a","","x-ray","0.71073","MoKα","","0.0412","0.0352","","","0.0794","0.0834","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238791","9.5689","0.0005","14.041","0.0007","11.5099","0.0006","90","","91.885","0.005","90","","1545.6","0.14","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","","Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng","Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide","RSC Advances","2013","3","8","2710","","10.1039/c2ra22799a","","x-ray","0.71073","MoKα","","0.0717","0.0501","","","0.1158","0.1298","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238792","9.7873","0.0002","13.851","0.0003","11.8661","0.0002","90","","90.573","0.002","90","","1608.53","0.06","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng","Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide","RSC Advances","2013","3","8","2710","","10.1039/c2ra22799a","","x-ray","1.54178","CuKα","","0.0471","0.0394","","","0.1102","0.1145","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238793","7.692","0.003","20.23","0.007","14.097","0.005","90","","94.13","0.009","90","","2187.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 F24 N4 O P4 -","- C37 H34 F24 N4 O P4 -","- C74 H68 F48 N8 O2 P8 -","2","0.5","","Xi, Hai-Tao; Zhao, Ting; Sun, Xiao-Qiang; Miao, Chun-Bao; Zong, Ting; Meng, Qi","Rapid and efficient solvent-free synthesis of cyclophanes based on bipyridinium under mechanical ball milling","RSC Adv.","2013","3","3","691","","10.1039/C2RA22802E","","","0.71073","MoKα","","0.2205","0.0744","","","0.1323","0.1699","","","","","","1.009","","","","has coordinates,has disorder","244355","2020-10-21","18:00:00",""
"7238794","10.0819","0.0018","10.9811","0.0019","14.025","0.003","68.984","0.005","76.417","0.005","79.993","0.005","1402","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H35 F24 N5 O7 P4 -","- C37 H35 F24 N5 O7 P4 -","- C37 H35 F24 N5 O7 P4 -","1","1","","Xi, Hai-Tao; Zhao, Ting; Sun, Xiao-Qiang; Miao, Chun-Bao; Zong, Ting; Meng, Qi","Rapid and efficient solvent-free synthesis of cyclophanes based on bipyridinium under mechanical ball milling","RSC Adv.","2013","3","3","691","","10.1039/C2RA22802E","","","0.71073","MoKα","","0.2429","0.1188","","","0.2914","0.3799","","","","","","1.047","","","","has coordinates","244355","2020-10-21","18:00:00",""
"7238795","30.293","0.004","9.286","0.0009","23.902","0.003","90","","126.001","0.012","90","","5439.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 N4 O12 Zn2 -","- C64 H44 N4 O12 Zn2 -","- C256 H176 N16 O48 Zn8 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.0893","0.0699","","","0.2291","0.2398","","","","","","1.159","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238796","29.846","0.003","10.3057","0.001","38.188","0.003","90","","99.598","0.005","90","","11581.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H48 N4 O14 Zn2 -","- C68 H45 N4 O14 Zn2 -","- C544 H360 N32 O112 Zn16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.1983","0.0631","","","0.1493","0.1808","","","","","","0.854","","","","has coordinates","244357","2020-10-21","18:00:00",""
"7238797","8.9838","0.0007","11.7412","0.0009","12.3478","0.0011","90","","98.822","0.006","90","","1287.04","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N O3 -","- C16 H12 N O3 -","- C64 H48 N4 O12 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.1423","0.0465","","","0.0792","0.0972","","","","","","0.773","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238798","13.6247","0.0003","10.5447","0.0002","20.8365","0.0005","90","","96.106","0.002","90","","2976.56","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N2 O6 Zn -","- C35 H28 N2 O6 Zn -","- C140 H112 N8 O24 Zn4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.068","0.0448","","","0.0773","0.0874","","","","","","1.05","","","","has coordinates","244359","2020-10-21","18:00:00",""
"7238799","7.082","0.001","8.632","0.001","10.345","0.001","65.37","0.01","88.98","0.01","83.89","0.01","571.36","0.13","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C28 H30 N2 O4 -","2","1","","Agarwal, Sameer; Kataeva, Olga; Schmidt, Ulrike; Knölker, Hans-Joachim","Silver(i)-promoted oxidative cyclisation to pyrrolo[2,1-a]isoquinolines and application to the synthesis of (±)-crispine A","RSC Adv.","2013","3","4","1089","","10.1039/C2RA22823H","","","0.71073","MoKα","","0.0735","0.0428","","","0.0925","0.106","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238800","13.9744","0.0004","14.0021","0.0004","19.6538","0.0008","72.123","0.001","81.273","0.001","79.907","0.001","3583.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H92 N12 O4 S4 -","- C68 H92 N12 O4 S4 -","- C136 H184 N24 O8 S8 -","2","1","","Zhao, Haiyang; Zhan, Junyan; Zou, Zhilong; Miao, Fajun; Chen, Hong; Zhang, Li; Cao, Xianliang; Tian, Deimei; Li, Haibing","Novel 1,3-alternate thiacalix[4]arenes: click synthesis, silver ion binding and self-assembly","RSC Adv.","2013","3","4","1029","","10.1039/C2RA22831A","","","0.71073","MoKα","","0.0827","0.0595","","","0.1702","0.1836","","","","","","1.002","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238801","14.74","0.003","7.292","0.0015","7.574","0.0015","90","","111.61","0.03","90","","756.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.5 H2.5 N2.5 O2.5 -","- C2.5 H2.5 N2.5 O2.5 -","- C20 H20 N20 O20 -","8","1","","Liu, Jin-Jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and properties of energetic complexes constructed from transition metal cations (Fe and Co) and ANPyO","RSC Advances","2013","3","9","2917","","10.1039/c2ra22839d","","","0.71073","MoKα","","0.0638","0.0493","","","0.1482","0.1625","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238802","11.808","0.002","12.955","0.003","14.764","0.003","114.5","0.03","93.46","0.03","109","0.03","1892.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 Co N18 O18 -","- C24 H33 Co N18 O18 -","- C48 H66 Co2 N36 O36 -","2","1","","Liu, Jin-Jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and properties of energetic complexes constructed from transition metal cations (Fe and Co) and ANPyO","RSC Advances","2013","3","9","2917","","10.1039/c2ra22839d","","","0.71073","MoKα","","0.1599","0.078","","","0.1462","0.1739","","","","","","1.001","","","","has coordinates","244363","2020-10-21","18:00:00",""
"7238803","11.715","0.002","12.9","0.003","14.978","0.003","68.45","0.03","89.43","0.03","73.76","0.03","2010.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Fe N18 O18.5 -","- C24 H34 Fe N18 O18.5 -","- C48 H68 Fe2 N36 O37 -","2","1","","Liu, Jin-Jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and properties of energetic complexes constructed from transition metal cations (Fe and Co) and ANPyO","RSC Advances","2013","3","9","2917","","10.1039/c2ra22839d","","","0.71073","MoKα","","0.168","0.0763","","","0.1336","0.1669","","","","","","1.001","","","","has coordinates","244363","2020-10-21","18:00:00",""
"7238804","23.7915","0.0017","14.0624","0.001","19.667","0.002","90","","119.796","0.001","90","","5710","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cu Mo4 N4 O16 -","- C18 H24 Cu Mo4 N4 O16 -","- C144 H192 Cu8 Mo32 N32 O128 -","8","1","","Wang, XiuLi; Xu, Chuang; Lin, HongYan; Liu, GuoCheng; Luan, Jian; Chang, ZhiHan","Two novel octamolybdate-based frameworks decorated by flexible bis-pyridyl-bis-amide ligands with different spacer lengths","RSC Advances","2013","3","11","3592","","10.1039/c2ra22855f","","","0.71073","MoKα","","0.0335","0.0261","","","0.0679","0.0717","","","","","","0.988","","","","has coordinates,has disorder","244364","2020-10-21","18:00:00",""
"7238805","8.6427","0.0006","12.3466","0.0009","12.8266","0.001","96.667","0.001","94.739","0.001","101.744","0.001","1323.02","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cu Mo4 N4 O18 -","- C14 H18 Cu Mo4 N4 O18 -","- C28 H36 Cu2 Mo8 N8 O36 -","2","1","","Wang, XiuLi; Xu, Chuang; Lin, HongYan; Liu, GuoCheng; Luan, Jian; Chang, ZhiHan","Two novel octamolybdate-based frameworks decorated by flexible bis-pyridyl-bis-amide ligands with different spacer lengths","RSC Advances","2013","3","11","3592","","10.1039/c2ra22855f","","","0.71073","MoKα","","0.0255","0.0214","","","0.055","0.0568","","","","","","1.027","","","","has coordinates,has disorder","244365","2020-10-21","18:00:00",""
"7238806","32.099","0.006","6.2507","0.0005","18.637","0.003","90","","122.027","0.006","90","","3170.2","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C136 H160 O24 S8 -","8","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","0.7107","MoKα","","0.0429","0.0377","","","0.0947","0.0988","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238807","8.651","0.004","9.558","0.004","17.186","0.007","90","","94.3","0.006","90","","1417","1.1","120","2","120","0","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","0.71075","MoKα","","0.0413","0.0396","","","0.0934","0.095","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238808","10.023","0.002","12.899","0.003","9.221","0.0018","90","","115.59","0.003","90","","1075.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","0.7107","MoKα","","0.0626","0.0578","","","0.1602","0.1699","","","","","","1.177","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238809","3.86191","0.00015","21.4583","0.0009","16.3912","0.0007","90","","93.24","0.007","90","","1356.17","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H26 N2 O4 -","- C38 H26 N2 O4 -","- C76 H52 N4 O8 -","2","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","1.54187","CuKα","","0.1051","0.0948","","","0.2188","0.2327","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238810","6.9284","0.0004","8.1002","0.0005","9.1236","0.0005","75.226","0.003","85.617","0.003","66.772","0.003","454.8","0.05","173","","173","","","","","","","","","3","P -1","-P 1","2","3-hydroxy-4-phenyl-3-cyclobutene-1,2-dione","3-hydroxy-4-phenyl-3-cyclobutene-1,2-dione","","- C10 H8 O4 -","- C10 H8 O4 -","- C20 H16 O8 -","2","1","","Ohsedo, Yutaka; Miyamoto, Misao; Oono, Masashi; Shikii, Kazuaki; Tanaka, Akihiro","Hydrogel formed by a simple squaric acid derivative","RSC Advances","2013","3","12","3844","","10.1039/c2ra22921h","","","1.54178","CuKα","","0.0373","0.0362","","","0.098","0.0993","","","","","","1.012","","","","has coordinates","244367","2020-10-21","18:00:00",""
"7238811","13.1373","0.0002","18.6703","0.0003","30.2795","0.0005","90","","95.792","0.001","90","","7389","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C114 H147 Eu3 N46 O23 W3 -","- C114 H147 Eu3 N46 O23 W3 -","- C228 H294 Eu6 N92 O46 W6 -","2","1","","Chorazy, Szymon; Nakabayashi, Koji; Ozaki, Noriaki; Pełka, Robert; Fic, Tomasz; Mlynarski, Jacek; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Thermal switching between blue and red luminescence in magnetic chiral cyanido-bridged EuIII‒WVcoordination helices","RSC Adv.","2013","3","4","1065","","10.1039/C2RA23033J","","","0.71075","MoKα","","0.0396","0.0374","","","0.0899","0.0908","","","","","","1.122","","","","has coordinates,has disorder","244368","2020-10-21","18:00:00",""
"7238812","13.1255","0.0003","18.6363","0.0003","30.2302","0.0006","90","","95.662","0.001","90","","7358.6","0.3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C114 H147 Eu3 N46 O23 W3 -","- C114 H147 Eu3 N46 O23 W3 -","- C228 H294 Eu6 N92 O46 W6 -","2","1","","Chorazy, Szymon; Nakabayashi, Koji; Ozaki, Noriaki; Pełka, Robert; Fic, Tomasz; Mlynarski, Jacek; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Thermal switching between blue and red luminescence in magnetic chiral cyanido-bridged EuIII‒WVcoordination helices","RSC Adv.","2013","3","4","1065","","10.1039/C2RA23033J","","","0.71075","MoKα","","0.0452","0.041","","","0.0835","0.0862","","","","","","1.075","","","","has coordinates,has disorder","244368","2020-10-21","18:00:00",""
"7238813","7.133","0.002","9.113","0.003","17.801","0.006","89.141","0.01","79.247","0.008","84.05","0.008","1130.7","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Br N2 O7 -","- C23 H23 Br N2 O7 -","- C46 H46 Br2 N4 O14 -","2","1","","Jia, Yang; Du, Da-Ming","Catalyst-free, one-pot three-component 1,3-dipolar cycloaddition of diethyl 2-aminomalonate, benzaldehydes and 3-nitro-2H-chromenes","RSC Adv.","2013","3","6","1970","","10.1039/C2RA23035F","","","0.71073","MoKα","","0.0519","0.0392","","","0.0908","0.0965","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238814","11.75","0.005","15.514","0.005","16.213","0.005","72.754","0.005","85.225","0.005","73.299","0.005","2703.5","1.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H63 Fe3 N3 O3 -","- C69 H63 Fe3 N3 O3 -","- C138 H126 Fe6 N6 O6 -","2","1","","Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","C3 symmetric ferrocenyl triazines: synthesis, structure, and properties","RSC Advances","2013","3","9","2889","","10.1039/c2ra23153k","","","0.71073","MoKα","","0.0839","0.072","","","0.2014","0.2135","","","","","","1.038","","","","has coordinates","244370","2020-10-21","18:00:00",""
"7238815","6.8796","0.0003","18.3527","0.0007","7.5914","0.0003","90","","92.61","0.002","90","","957.49","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C48 H38 N2 O8 -","2","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.0437","0.0362","","","0.0901","0.0949","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238816","13.2463","0.0015","10.6252","0.0013","21.094","0.002","90","","103.473","0.005","90","","2887.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N O6 -","- C32 H33 N O6 -","- C128 H132 N4 O24 -","4","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.1394","0.072","","","0.1789","0.2159","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238817","15.366","0.002","10.1563","0.0014","18.42","0.003","90","","107.313","0.002","90","","2744.4","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N O6 -","- C33 H27 N O6 -","- C132 H108 N4 O24 -","4","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.103","0.0621","","","0.1879","0.2192","","","","","","1.051","","","","has coordinates","244371","2020-10-21","18:00:00",""
"7238818","8.4764","0.0013","26.185","0.004","10.0293","0.0016","90","","93.002","0.004","90","","2223","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N O4 -","- C29 H21 N O4 -","- C116 H84 N4 O16 -","4","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.0747","0.0541","","","0.1302","0.1445","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238871","17.946","0.003","19.663","0.004","16.913","0.003","90","","97.455","0.002","90","","5917.7","1.9","273","2","273","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H108 Cu7 N18 O96 P2 W22 -","- C18 H72 Cu7 N18 O96 P2 W22 -","- C36 H144 Cu14 N36 O192 P4 W44 -","2","0.25","","Li, Shaobin; Zhu, Wei; Ma, Huiyuan; Pang, Haijun; Liu, Heng; Yu, Tingting","Structure and bifunctional electrocatalytic activity of a novel 3D framework based on dimeric monocopper-substituted polyoxoanions as ten-connected linkages","RSC Advances","2013","3","25","9770","","10.1039/c3ra00018d","","","0.71073","MoKα","","0.1084","0.0651","","","0.1545","0.1787","","","","","","1.041","","","","has coordinates","244437","2020-10-21","18:00:00",""
"7238872","9.8335","0.0007","8.2851","0.0006","12.1849","0.0008","90","","102.006","0","90","","971.01","0.12","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N5 O2 -","- C9 H7 N5 O2 -","- C36 H28 N20 O8 -","4","1","","Saiprathima, Parvathaneni; Srinivas, Keesara; Sridhar, Balasubramanian; Rao, Mandapati Mohan","“On water” one-pot synthesis of quaternary centered 3-hydroxy-3-(1H-tetrazol-5-yl)indolin-2-ones","RSC Advances","2013","3","21","7708","","10.1039/c3ra00021d","","","0.71073","MoKα","","0.0348","0.0337","","","0.0887","0.0898","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238873","12.6583","0.0008","7.1048","0.0004","15.7542","0.001","90","","104.404","0.001","90","","1372.31","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N6 O -","- C15 H12 N6 O -","- C60 H48 N24 O4 -","4","1","","Saiprathima, Parvathaneni; Srinivas, Keesara; Sridhar, Balasubramanian; Rao, Mandapati Mohan","“On water” one-pot synthesis of quaternary centered 3-hydroxy-3-(1H-tetrazol-5-yl)indolin-2-ones","RSC Advances","2013","3","21","7708","","10.1039/c3ra00021d","","","0.71073","MoKα","","0.0385","0.0365","","","0.0952","0.0976","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238874","18.05","0.004","6.754","0.0014","21.429","0.004","90","","90","","90","","2612.4","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H32 Br2 N4 -","- C26 H32 Br2 N4 -","- C104 H128 Br8 N16 -","4","1","","Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu","Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts","RSC Advances","2013","3","18","6334","","10.1039/c3ra00046j","","","0.71073","MoKα","","0.1203","0.0553","","","0.1322","0.1715","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238875","6.8588","0.0014","18.823","0.004","22.137","0.004","90","","93.85","0.03","90","","2851.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Br2 N4 O -","- C27 H36 Br2 N4 O -","- C108 H144 Br8 N16 O4 -","4","1","","Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu","Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts","RSC Advances","2013","3","18","6334","","10.1039/c3ra00046j","","","0.71073","MoKα","","0.0905","0.0401","","","0.0851","0.1154","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238876","14.276","0.003","9.1205","0.0018","13.007","0.003","90","","113.75","0.03","90","","1550.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Br2 N4 -","- C28 H36 Br2 N4 -","- C56 H72 Br4 N8 -","2","0.5","","Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu","Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts","RSC Advances","2013","3","18","6334","","10.1039/c3ra00046j","","","0.71073","MoKα","","0.1437","0.1107","","","0.337","0.3575","","","","","","1.113","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238877","10.427","0.002","19.086","0.004","19.748","0.004","90","","90","","90","","3930","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O4 S -","- C22 H18 N2 O4 S -","- C176 H144 N16 O32 S8 -","8","1","","Wu, Jiaping; Shang, Yongjia; Wang, Cuie; He, Xinwei; Yan, Zhenglei; Hu, Manman; Zhou, Fuyin","Synthesis of 3,4-dihydro-2H-1,4-benzo[b]thiazine derivatives via DABCO-catalyzed one-pot three-component condensation reactions","RSC Advances","2013","3","14","4643","","10.1039/c3ra00123g","","","0.71073","MoKα","","0.0549","0.0407","","","0.1047","0.117","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238878","10.1879","0.001","10.7179","0.001","11.053","0.0011","95.363","0.001","109.891","0.001","115.952","0.001","977.64","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 N O S -","- C22 H17 Cl2 N O S -","- C44 H34 Cl4 N2 O2 S2 -","2","1","","Wu, Jiaping; Shang, Yongjia; Wang, Cuie; He, Xinwei; Yan, Zhenglei; Hu, Manman; Zhou, Fuyin","Synthesis of 3,4-dihydro-2H-1,4-benzo[b]thiazine derivatives via DABCO-catalyzed one-pot three-component condensation reactions","RSC Advances","2013","3","14","4643","","10.1039/c3ra00123g","","","0.71073","MoKα","","0.0446","0.038","","","0.1012","0.1077","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238879","16.8695","0.0014","10.4525","0.0008","27.352","0.003","90","","103.47","0.005","90","","4690.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 F3 N3 O -","- C28 H20 F3 N3 O -","- C224 H160 F24 N24 O8 -","8","1","","Gunasekaran, Pethaiah; Indumathi, Sethuraman; Perumal, Subbu","l-Proline-catalyzed three-component domino reactions in the regioselective synthesis of novel densely functionalized pyrazolo[3,4-b]pyridines","RSC Advances","2013","3","22","8318","","10.1039/c3ra00136a","","","0.71073","MoKα","","0.0974","0.0487","","","0.1193","0.1432","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238880","10.9142","0.0008","14.4914","0.0011","16.5792","0.0012","68.963","0.001","85.539","0.001","79.574","0.001","2406.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","work","","","- C52 H68 O12 -","- C52 H68 O12 -","- C104 H136 O24 -","2","1","","Ngodwana, Lonwabo; Kleinhans, Dewald J.; Smuts, Anri-Jacques; van Otterlo, Willem A. L.; Arnott, Gareth E.","Selective derivatisation of resorcinarene ethers via an ortholithiation approach","RSC Advances","2013","3","12","3873","","10.1039/c3ra00141e","","","0.71073","MoKα","","0.0531","0.0443","","","0.1111","0.1169","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238881","15.7383","0.0004","50.6519","0.0011","18.0535","0.0004","90","","90","","90","","14391.8","0.6","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C88 H80 Fe4 O4 -","- C88 H80 Fe4 O4 -","- C704 H640 Fe32 O32 -","8","1","","Sharma, Rekha; Margani, Ramesh; Mobin, Shaikh M.; Misra, Rajneesh","Ferrocenyl substituted calixarenes: synthesis, structure and properties","RSC Advances","2013","3","17","5785","","10.1039/c3ra00146f","","","0.71073","MoKα","","0.0788","0.0672","","","0.1628","0.1715","","","","","","1.066","","","","has coordinates","244443","2020-10-21","18:00:00",""
"7238882","10.7641","0.0013","31.164","0.004","16.577","0.002","90","","103.768","0.006","90","","5401","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 F2 N3 O2 -","- C31 H29 F2 N3 O2 -","- C248 H232 F16 N24 O16 -","8","2","","Dandia, Anshu; Jain, Anuj K.; Laxkar, Ashok K.","Synthesis and biological evaluation of highly functionalized dispiro heterocycles","RSC Advances","2013","3","22","8422","","10.1039/c3ra00170a","","","0.71073","MoKα","","0.1163","0.0607","","","0.1647","0.2067","","","","","","0.986","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238883","7.745","0.0002","9.8432","0.0002","10.1768","0.0002","84.638","0.001","73.912","0.001","75.135","0.001","720.29","0.03","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C32 H32 Cl2 N2 O6 -","2","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0346","0.0319","","","0.0902","0.0929","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238884","9.2655","0.0007","9.3737","0.0007","33.083","0.003","90","","90","","90","","2873.3","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0712","0.0485","","","0.1356","0.1531","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238885","9.6909","0.0005","15.7393","0.0008","9.9721","0.0006","90","","111.376","0.001","90","","1416.39","0.13","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl I N O2 -","- C14 H13 Cl I N O2 -","- C56 H52 Cl4 I4 N4 O8 -","4","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0561","0.0445","","","0.1066","0.1142","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238886","13.3795","0.0007","12.7454","0.0008","17.2339","0.001","90","","90","","90","","2938.8","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C136 H152 N8 O32 -","8","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0517","0.0405","","","0.1059","0.1143","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238887","10.0504","0.0007","8.675","0.0007","21.42","0.0012","90","","103.066","0.006","90","","1819.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione","(Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Paul, Nidhin; Sathishkumar, Ramalingam; Anuba, Chellathurai; Muthusubramanian, Shanmugam","Reactions of diphenacylaniline and diphenacyl sulfide under Gewald conditions: generation of enamines and thioamides","RSC Advances","2013","3","20","7445","","10.1039/c3ra21556c","","","0.71073","MoKα","","0.0695","0.0477","","","0.1407","0.1626","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238888","10.428","0.005","16.883","0.005","17.61","0.005","90","","119.485","0.017","90","","2698.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6'-benzoyl-7'-(4-chlorophenyl)-3'-phenyl-3',6',7',7a'- tetrahydro-1 'H-spiro(indoline-3,5'-pyrrolo(1,2-c)thiazol)-2-one","6'-benzoyl-7'-(4-chlorophenyl)-3'-phenyl-3',6',7',7a'-tetrahydro-1 'H-spiro[indoline-3,5'-pyrrolo[1,2-c]thiazol]-2-one","","- C32 H25 Cl N2 O2 S -","- C32 H25 Cl N2 O2 S -","- C128 H100 Cl4 N8 O8 S4 -","4","1","","Kumar, Atul; Gupta, Garima; Srivastava, Suman; Bishnoi, Ajay Kumar; Saxena, Ruchi; Kant, Ruchir; Khanna, Ranjana S.; Maulik, Prakas R.; Dwivedi, Anila","Novel diastereoselective synthesis of spiropyrrolidine-oxindole derivatives as anti-breast cancer agents","RSC Advances","2013","3","14","4731","","10.1039/c3ra21595d","","","0.71073","MoKα","","0.1604","0.0704","","","0.1208","0.1679","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238889","8.3588","0.0002","10.3505","0.0003","10.9632","0.0003","63.8699","0.0015","84.6098","0.0015","83.0969","0.0016","844.5","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Br2 N4 O2 -","- C38 H30 Br2 N4 O2 -","- C38 H30 Br2 N4 O2 -","1","0.5","","Nandajan, Paramjyothi C.; Neelakandan, Prakash P.; Ramaiah, Danaboyina","Interplay of monomer, intra- and intermolecular excimer fluorescence in cyclophanes and selective recognition of methanol vapours","RSC Advances","2013","3","16","5624","","10.1039/c3ra21678k","","","1.54178","CuKα","","0.0844","0.0786","","","0.2179","0.2278","","","","","","1.098","","","","has coordinates","244448","2020-10-21","18:00:00",""
"7238890","10.3953","0.0004","17.2537","0.0006","16.1405","0.0006","90","","100.491","0.002","90","","2846.53","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H58 Br2 N8 O3 -","- C60 H52 Br3.999 N8 O3 -","- C120 H104 Br7.998 N16 O6 -","2","1","","Nandajan, Paramjyothi C.; Neelakandan, Prakash P.; Ramaiah, Danaboyina","Interplay of monomer, intra- and intermolecular excimer fluorescence in cyclophanes and selective recognition of methanol vapours","RSC Advances","2013","3","16","5624","","10.1039/c3ra21678k","","","0.71073","MoKα","","0.0956","0.0637","","","0.1719","0.1974","","","","","","1.056","","","","has coordinates","244448","2020-10-21","18:00:00",""
"7238891","7.4751","0.0011","22.522","0.002","7.5169","0.0009","90","0.011","109.736","0.009","90","0.012","1191.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 Cl N4 S4 -","- C8 H3 Cl N4 S4 -","- C32 H12 Cl4 N16 S16 -","4","1","","Pop, Flavia; Ding, Jie; Daku, Latévi Max Lawson; Hauser, Andreas; Avarvari, Narcis","Tetrathiafulvalene-s-tetrazine: versatile platform for donor–acceptor systems and multifunctional ligands","RSC Advances","2013","3","10","3218","","10.1039/c3ra21702g","","","0.71073","MoKα","","0.1116","0.0516","","","0.0852","0.1026","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238892","8.7852","0.0017","9.2555","0.0014","16.386","0.004","74.976","0.017","88.387","0.014","72.238","0.014","1223.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Cl2 N7 S4 Zn -","- C20 H15 Cl2 N7 S4 Zn -","- C40 H30 Cl4 N14 S8 Zn2 -","2","1","","Pop, Flavia; Ding, Jie; Daku, Latévi Max Lawson; Hauser, Andreas; Avarvari, Narcis","Tetrathiafulvalene-s-tetrazine: versatile platform for donor‒acceptor systems and multifunctional ligands","RSC Advances","2013","3","10","3218","","10.1039/c3ra21702g","","","0.71073","MoKα","","0.0952","0.043","","","0.0817","0.0923","","","","","","1.013","","","","has coordinates","244449","2020-10-21","18:00:00",""
"7238893","16.0317","0.0017","22.181","0.002","10.2433","0.0013","90","","90","","90","","3642.5","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H35 Cl2 N9 O5 -","- C37 H35 Cl2 N9 O5 -","- C148 H140 Cl8 N36 O20 -","4","0.5","","Das, Subrata; Thakur, Ashim Jyoti; Medhi, Tapas; Das, Babulal","An efficient stereo-controlled synthesis of bis-pyrimido-[4,5-d]-pyrimidine derivatives via aza-Diels‒Alder methodology and their preliminary bioactivity","RSC Advances","2013","3","10","3407","","10.1039/c3ra22089c","","","0.71073","MoKα","","0.11","0.0844","","","0.2139","0.2467","","","","","","1.062","","","","has coordinates","244450","2020-10-21","18:00:00",""
"7238894","5.9798","0.0009","14.147","0.002","25.909","0.004","90","","90","","90","","2191.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2-phenyl- 2,4,5,7-tetrahydropyrano(3,4-c)pyrazol-5-yl) methyl acetate","((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2- phenyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-5-yl) methyl acetate","","- C24 H23 N3 O7 -","- C24 H23 N3 O7 -","- C96 H92 N12 O28 -","4","1","","Saquib, Mohammad; Husain, Irfan; Kant, Ruchir; Meena, Sanjeev; Gauniyal, H. M.; Sinha, Sudhir; Maulik, P. R.; Shaw, Arun K.","Regioselective synthesis of densely functionalized, enantiopure, sugar–pyrazole hybrids as potential scaffolds for drug discovery","RSC Advances","2013","3","14","4526","","10.1039/c3ra22287j","","","0.71073","MoKα","","0.0624","0.0464","","","0.0927","0.101","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238895","13.4391","0.0015","13.64","0.0017","14.3996","0.0018","107.046","0.001","103.576","0.001","114.569","0.002","2093.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H45 N7 O3 -","- C49 H45 N7 O3 -","- C98 H90 N14 O6 -","2","1","","Tu, Man-Su; Li, Ying; Wang, Xiang; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","Regioselective [5 + 1] rearrangement–annulation: a new and efficient domino route to highly functionalized [1,6]naphthyridines","RSC Advances","2013","3","12","3877","","10.1039/c3ra22328k","","","0.71073","MoKα","","0.1898","0.0856","","","0.1955","0.2303","","","","","","1.034","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238896","7.2369","0.0007","12.2218","0.0012","13.4418","0.0013","116.25","0.01","100.287","0.008","95.328","0.008","1029.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 F N5 O6 -","- C22 H14 F N5 O6 -","- C44 H28 F2 N10 O12 -","2","1","","Kamal, Ahmed; Swapna, Ponnampalli","An improved iron-mediated synthesis of N-2-aryl substituted 1,2,3-triazoles","RSC Advances","2013","3","20","7419","","10.1039/c3ra22485f","","","0.71073","MoKα","","0.0937","0.0441","","","0.0698","0.081","","","","","","0.924","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238897","19.4681","0.0006","23.9169","0.0007","21.0592","0.0006","90","","94.136","0.001","90","","9780","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H98 Mn6 N16 O22 -","- C94 H98 Mn6 N16 O22 -","- C376 H392 Mn24 N64 O88 -","4","0.5","","Seth, Piya; Ghosh, Ashutosh","A mixed-valence Mn6 cluster exhibiting self-assembled vesicular structure and catecholase-like activity in solution state","RSC Advances","2013","3","11","3717","","10.1039/c3ra22710c","","","0.71073","MoKα","","0.0859","0.0535","","","0.1606","0.1826","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238898","8.4466","0.0017","9.1058","0.0018","9.865","0.002","111.85","0.03","91.9","0.03","115.1","0.03","621","0.3","108","2","108","2","","","","","","","","6","P -1","-P 1","2","bis pyridinium tetrachlorodioxouranate pyridine solvate","","","- C20 H22 Cl4 N4 O2 U -","- C20 H22 Cl4 N4 O2 U -","- C20 H22 Cl4 N4 O2 U -","1","0.5","","Hashem, Emtithal; Swinburne, Adam N.; Schulzke, Carola; Evans, Rachel C.; Platts, James A.; Kerridge, Andrew; Natrajan, Louise S.; Baker, Robert J.","Emission spectroscopy of uranium(iv) compounds: a combined synthetic, spectroscopic and computational study","RSC Advances","2013","3","13","4350","","10.1039/c3ra22712j","","","0.71073","MoKα","","0.0418","0.0415","","","0.106","0.1062","","","","","","1.05","","","","has coordinates","244455","2020-10-21","18:00:00",""
"7238899","9.885","0.004","11.87","0.004","16.503","0.006","70.885","0.014","89.6","0.02","78.787","0.015","1791.3","1.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl4 Co N2 O -","- C38 H36 Cl4 Co N2 -","- C76 H72 Cl8 Co2 N4 -","2","1","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.0405","0.0288","","","0.0699","0.073","","","","","","0.931","","","","has coordinates","244457","2020-10-21","18:00:00",""
"7238900","11.477","0.003","11.962","0.002","15.832","0.004","72.51","0.016","89.22","0.018","64.483","0.01","1853.8","0.8","273","2","273","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl4 Co N2 O -","- C40 H42 Cl4 Co N2 O -","- C80 H84 Cl8 Co2 N4 O2 -","2","1","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.0545","0.0434","","","0.1272","0.1344","","","","","","1.079","","","","has coordinates","244457","2020-10-21","18:00:00",""
"7238901","18.561","0.005","7.9107","0.0019","19.052","0.005","90","","90.835","0.004","90","","2797.1","1.2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N2 -","- C38 H34 N2 -","- C152 H136 N8 -","4","1","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.1004","0.0784","","","0.1387","0.1473","","","","","","1.235","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238902","8.512","0.005","8.74","0.005","9.863","0.004","72.12","0.03","77.79","0.03","79.76","0.03","677.5","0.6","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 N2 -","- C38 H34 N2 -","- C38 H34 N2 -","1","0.5","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.0582","0.037","","","0.0725","0.0772","","","","","","1.143","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238903","14.727","0.001","18.251","0.002","22.211","0.002","90","","90","","90","","5969.9","0.9","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C92 H68 N -","- C91.9738 H68 N -","- C367.895 H272 N4 -","4","1","","Shestakov, Alexander F.; Konarev, Dmitri V.; Simonov, Sergey V.; Khasanov, Salavat S.; Lapshin, Alexander N.; Goldshleger, Nataliya F.","Structure and spectral properties of fullerene ‒ tetraoctylammonium bromide composition in neutral and ionic states: experimental data and theoretical analysis","RSC Advances","2013","3","22","8341","","10.1039/c3ra22787a","","","0.71073","MoKα","","0.198","0.1222","","","0.311","0.3396","","","","","","1.84","","","","has coordinates,has disorder","244458","2020-10-21","18:00:00",""
"7238904","12.524","0.002","12.391","0.002","11.553","0.002","90","","107.019","0.003","90","","1714.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 O4 P -","- C20 H21 O4 P -","- C80 H84 O16 P4 -","4","1","","Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min","Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties","RSC Advances","2013","3","12","4001","","10.1039/c3ra22863k","","","0.71073","MoKα","","0.0571","0.0516","","","0.143","0.1457","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238905","21.51","0.003","5.6451","0.0008","14.508","0.002","90","","100.285","0.003","90","","1733.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br O3 P -","- C20 H20 Br O3 P -","- C80 H80 Br4 O12 P4 -","4","1","","Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min","Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties","RSC Advances","2013","3","12","4001","","10.1039/c3ra22863k","","","0.71073","MoKα","","0.0566","0.0431","","","0.1236","0.1266","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238906","6.3845","0.0017","13.615","0.004","22.618","0.007","90","","90","","90","","1966.1","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br2 O3 P -","- C20 H21 Br2 O3 P -","- C80 H84 Br8 O12 P4 -","4","1","","Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min","Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties","RSC Advances","2013","3","12","4001","","10.1039/c3ra22863k","","","0.71073","MoKα","","0.0685","0.0513","","","0.102","0.1055","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238907","15.5601","0.0006","28.2409","0.001","8.9927","0.0003","90","","90","","90","","3951.7","0.2","298","2","298","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C20 H33 Br8 Cl2 Co2 N8 O12.5 -","- C20 H33 Br8 Cl2 Co2 N8 O12.5 -","- C80 H132 Br32 Cl8 Co8 N32 O50 -","4","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0795","0.0652","","","0.1518","0.1585","","","","","","1.093","","","","has coordinates,has disorder","244460","2020-10-21","18:00:00",""
"7238908","8.476","0.002","9.327","0.003","13.954","0.005","85.457","0.002","80.366","0.003","81.064","0.002","1072.8","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 Br4 Cl Co N4 O6 -","- C12 H20 Br4 Cl Co N4 O6 -","- C24 H40 Br8 Cl2 Co2 N8 O12 -","2","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0401","0.033","","","0.0869","0.0901","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238909","16.136","0.006","8.72","0.003","19.343","0.006","90","","105.925","0.002","90","","2617.2","1.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 Br4 Co N5 O6 -","- C17 H32 Br4 Co N5 O6 -","- C68 H128 Br16 Co4 N20 O24 -","4","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0658","0.0351","","","0.0571","0.0638","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238910","6.546","0.002","31.167","0.011","11.809","0.003","90","","104.774","0.002","90","","2329.6","1.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br4 Cl Co N4 O6 -","- C18 H16 Br4 Cl Co N4 O6 -","- C72 H64 Br16 Cl4 Co4 N16 O24 -","4","0.5","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0653","0.0548","","","0.1402","0.1605","","","","","","1.119","","","","has coordinates,has disorder","244460","2020-10-21","18:00:00",""
"7238911","30.152","0.008","12.333","0.003","30.405","0.005","90","","97.404","0.005","90","","11212","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Br8 Co2 N10 O12 -","- C50 H40 Br8 Co2 N10 O12 -","- C400 H320 Br64 Co16 N80 O96 -","8","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0815","0.052","","","0.1256","0.1405","","","","","","0.985","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238912","14.845","0.003","15.798","0.003","16.567","0.003","115.922","0.001","103.402","0.001","102.119","0.001","3176.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H36 Br8 Cl2 Co2 N8 O13 -","- C61 H36 Br8 Cl2 Co2 N8 O13 -","- C122 H72 Br16 Cl4 Co4 N16 O26 -","2","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0756","0.0499","","","0.13","0.1476","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238913","12.733","0.003","20.347","0.005","15.916","0.004","90","","100.654","0.004","90","","4052.4","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br8 Co N5 O9 -","- C34 H26 Br8 Co N5 O9 -","- C136 H104 Br32 Co4 N20 O36 -","4","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0716","0.0421","","","0.0943","0.1045","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238914","10.637","0.003","10.995","0.003","16.387","0.004","96.351","0.002","93.693","0.002","104.486","0.002","1835.7","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br8 Co N5 O5 -","- C26 H23 Br8 Co N5 O5 -","- C52 H46 Br16 Co2 N10 O10 -","2","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0825","0.0562","","","0.1585","0.1721","","","","","","1.009","","","","has coordinates,has disorder","244460","2020-10-21","18:00:00",""
"7238915","18.519","0.003","14.082","0.003","26.628","0.004","90","","91.79","0.003","90","","6941","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H70 Br12 Co3 N15 O20 -","- C39 H54 Br12 Co3 N15 O20 -","- C156 H216 Br48 Co12 N60 O80 -","4","2","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0932","0.0633","","","0.1375","0.1536","","","","","","1.016","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238916","16.64","0.008","7.053","0.004","14.173","0.007","90","","101.753","0.008","90","","1628.5","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C72 H68 N20 O8 -","4","1","","Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao","Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones","RSC Advances","2013","3","17","5807","","10.1039/c3ra22909b","","","0.71073","MoKα","","0.0851","0.0798","","","0.2193","0.2254","","","","","","1.091","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238917","7.0998","0.0005","10.4533","0.0007","14.2795","0.001","103.513","0.005","104.362","0.004","101.119","0.004","962.19","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","x2","","","- C21 H14 Br N5 O2 -","- C21 H14 Br N5 O2 -","- C42 H28 Br2 N10 O4 -","2","1","","Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao","Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones","RSC Advances","2013","3","17","5807","","10.1039/c3ra22909b","","","0.71073","MoKα","","0.0472","0.0359","","","0.0774","0.0835","","","","","","0.958","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238918","7.1731","0.0002","9.058","0.0003","15.2735","0.0005","96.965","0.001","93.337","0.001","112.608","0.001","903.39","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","X3","","","- C20 H17 N5 O4 -","- C20 H17 N5 O4 -","- C40 H34 N10 O8 -","2","1","","Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao","Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones","RSC Advances","2013","3","17","5807","","10.1039/c3ra22909b","","","0.71073","MoKα","","0.0363","0.0343","","","0.0893","0.0931","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238919","18.414","0.003","9.8998","0.0012","22.545","0.004","90","","104.963","0.007","90","","3970.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N2 -","- C44 H40 N2 -","- C176 H160 N8 -","4","1","","Pal, Suman; Hatai, Joydev; Srikanth, K.; Bandyopadhyay, Subhajit","Light gated reversible modulation of Cu2+ binding","RSC Advances","2013","3","11","3739","","10.1039/c3ra23089a","","","0.71073","MoKα","","0.1469","0.0632","","","0.1578","0.1965","","","","","","0.805","","","","has coordinates,has disorder","244462","2020-10-21","18:00:00",""
"7238920","12.0296","0.0013","10.7993","0.001","15.4635","0.0016","90","","129.493","0.006","90","","1550.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N5 O5 S -","- C14 H11 N5 O5 S -","- C56 H44 N20 O20 S4 -","4","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide –NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.1293","0.0508","","","0.1083","0.1485","","","","","","0.998","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238921","7.9913","0.0002","12.2522","0.0004","17.6848","0.0005","78.78","0.002","89.551","0.002","76.168","0.002","1647.83","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 N6 O5 S -","- C30 H46 N6 O5 S -","- C60 H92 N12 O10 S2 -","2","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide –NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.0629","0.0428","","","0.1137","0.1313","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238922","11.9041","0.0007","12.0508","0.0007","13.7606","0.0008","71.458","0.004","71.925","0.004","69.239","0.004","1706.02","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 N6 O6 S -","- C30 H48 N6 O6 S -","- C60 H96 N12 O12 S2 -","2","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide –NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.1372","0.0657","","","0.1714","0.2034","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238923","15.6959","0.0006","16.0526","0.0007","17.2487","0.0008","111.24","0.002","111.383","0.002","93.571","0.002","3676.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H98 N12 O11 S2 -","- C68 H98 N12 O11 S2 -","- C136 H196 N24 O22 S4 -","2","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide –NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.1103","0.0684","","","0.1891","0.2174","","","","","","1.134","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238924","9.6658","0.0012","10.3292","0.0014","18.5201","0.0018","85.614","0.012","86.144","0.014","81.723","0.01","1821.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 Cl O2 -","- C15 H9 Cl O2 -","- C90 H54 Cl6 O12 -","6","3","","Li, Jinming; Chen, Huiyu; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","Synthesis of coumarins via PIDA/I2-mediated oxidative cyclization of substituted phenylacrylic acids","RSC Advances","2013","3","13","4311","","10.1039/c3ra23188g","","","0.71073","MoKα","","0.1134","0.0435","","","0.0851","0.1095","","","","","","0.848","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238925","11.849","0.006","7.997","0.004","20.87","0.01","90","","100.374","0.006","90","","1945.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O5 S -","- C20 H25 N O5 S -","- C80 H100 N4 O20 S4 -","4","1","","Wang, Linfei; Wang, Shuo-En; Wang, Weibin; Fan, Renhua","Accessing bridged bicyclic compounds or meta carbon-functionalized anilines from the dearomatization of anilines","RSC Advances","2013","3","17","5775","","10.1039/c3ra23224g","","","0.71073","MoKα","","0.0587","0.0501","","","0.1422","0.1505","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238926","8.2705","0.0016","9.4515","0.0014","9.4618","0.0019","82.682","0.014","64.188","0.019","85.91","0.014","660.3","0.2","103.6","","103.6","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 N4 -","- C15 H18 N4 -","- C30 H36 N8 -","2","1","","Shi, Liangliang; Wang, Ruji; Yang, Haijun; Jiang, Yuyang; Fu, Hua","Efficient copper-catalyzed domino synthesis of tetrazoloisoquinolines","RSC Advances","2013","3","18","6278","","10.1039/c3ra23230a","","","0.7107","MoKα","","0.0674","0.0532","","","0.1358","0.1483","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238927","23.955","0.004","7.5099","0.0012","8.5462","0.0014","90","","95.195","0.003","90","","1531.1","0.4","295","","295","","","","","","","","see text","3","P 1 c 1","P -2yc","7","","","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","2","","Shanmugaraju, Sankarasekaran; Jadhav, Harshal; Karthik, Rajendran; Mukherjee, Partha Sarathi","Electron rich supramolecular polymers as fluorescent sensors for nitroaromatics","RSC Advances","2013","3","15","4940","","10.1039/c3ra23269g","","x-ray","0.71073","MoKα","","0.1202","0.0695","","","0.0793","0.0893","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238928","16.8215","0.0008","24.9185","0.0014","7.4008","0.0004","90","","90","","90","","3102.2","0.3","296","","296","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C36 H34 O4 -","- C36 H34 O4 -","- C144 H136 O16 -","4","0.5","","Shanmugaraju, Sankarasekaran; Jadhav, Harshal; Karthik, Rajendran; Mukherjee, Partha Sarathi","Electron rich supramolecular polymers as fluorescent sensors for nitroaromatics","RSC Advances","2013","3","15","4940","","10.1039/c3ra23269g","","x-ray","0.71073","MoKα","","0.1726","0.084","","","0.2172","0.2771","","","","","","0.936","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238929","18.729","0.003","14.865","0.003","7.6628","0.0013","90","","90","","90","","2133.4","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H22 Cl7 Mo N2 O3 -","- C11 H22 Cl7 Mo N2 O3 -","- C44 H88 Cl28 Mo4 N8 O12 -","4","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Lactam/MoCl5 interaction in CH2Cl2: synthesis and X-ray characterization of protonated δ-valerolactam salts","RSC Advances","2013","3","25","10007","","10.1039/c3ra23305g","","","0.71073","MoKα","","0.0255","0.0225","","","0.0534","0.055","","","","","","1.065","","","","has coordinates","244468","2020-10-21","18:00:00",""
"7238930","9.2987","0.0008","11.7668","0.001","22.2829","0.0018","90","","101.262","0.001","90","","2391.2","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C15 H29 Cl5 Mo N3 O4 -","- C15.001 H29 Cl5 Mo N3 O4 -","- C60.004 H116 Cl20 Mo4 N12 O16 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Lactam/MoCl5 interaction in CH2Cl2: synthesis and X-ray characterization of protonated δ-valerolactam salts","RSC Advances","2013","3","25","10007","","10.1039/c3ra23305g","","","0.71073","MoKα","","0.0285","0.0234","","","0.0531","0.0555","","","","","","1.02","","","","has coordinates,has disorder","244468","2020-10-21","18:00:00",""
"7238931","5.2551","0.0004","12.1219","0.0007","14.2706","0.0012","109.989","0.006","95.075","0.007","94.816","0.005","844.59","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C36 H40 O16 -","2","1","","Markoulides, Marios S.; Ioannou, Georgios I.; Manos, Manolis J.; Chronakis, Nikos","One-pot thermally chemocontrolled double Diels–Alder strategies. A route to [4 + 2] functionalisation/[4 + 2] derivatization of C60","RSC Advances","2013","3","14","4750","","10.1039/c3ra23327h","","","0.71073","MoKα","","0.0545","0.0436","","","0.1197","0.1272","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238932","13.3575","0.0006","15.2746","0.0008","7.8745","0.0004","90","","98.222","0.004","90","","1590.12","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Markoulides, Marios S.; Ioannou, Georgios I.; Manos, Manolis J.; Chronakis, Nikos","One-pot thermally chemocontrolled double Diels–Alder strategies. A route to [4 + 2] functionalisation/[4 + 2] derivatization of C60","RSC Advances","2013","3","14","4750","","10.1039/c3ra23327h","","","1.54184","CuKα","","0.0605","0.0452","","","0.1177","0.128","","","","","","0.946","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238933","17.7475","0.0006","11.7784","0.0006","35.4048","0.0012","90","","90","","90","","7400.9","0.5","195","2","195","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H52 N6 O2 Ru -","- C38 H48 N6 O2 Ru -","- C304 H384 N48 O16 Ru8 -","8","1","","Shinozaki, Kazuteru; Tenmyo, Kazuhiro; Suzuki, Takayoshi","Isotope effect of crystal water on emission lifetime of Ru(dbb)2(CN)2·2H2O (dbb = 4,4′-di-tert-butyl-2,2′-bipyridine) crystal","RSC Advances","2013","3","20","7579","","10.1039/c3ra23362f","","","0.71075","MoKα","","0.0772","0.0461","","","0.1046","0.1277","","","","","","1.077","","","","has coordinates","244470","2020-10-21","18:00:00",""
"7238934","17.7803","0.0006","11.8826","0.0007","35.7471","0.0013","90","","90","","90","","7552.5","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H52 N6 O2 Ru -","- C38 H48 N6 O2 Ru -","- C304 H384 N48 O16 Ru8 -","8","1","","Shinozaki, Kazuteru; Tenmyo, Kazuhiro; Suzuki, Takayoshi","Isotope effect of crystal water on emission lifetime of Ru(dbb)2(CN)2·2H2O (dbb = 4,4′-di-tert-butyl-2,2′-bipyridine) crystal","RSC Advances","2013","3","20","7579","","10.1039/c3ra23362f","","","0.71075","MoKα","","0.0894","0.0498","","","0.1191","0.1408","","","","","","1.097","","","","has coordinates","244470","2020-10-21","18:00:00",""
"7238935","11.446","0.002","14.77","0.003","14.492","0.002","90","","96.015","0.003","90","","2436.5","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H39 Br3 O13 -","- C48 H39 Br3 O13 -","- C96 H78 Br6 O26 -","2","1","","Liu, Jie-Qing; Peng, Xing-Rong; Zhang, Wei-Ming; Shi, Lei; Li, Xu-Yang; Chen, Jian-Chao; Qiu, Ming-Hua","Swietemahalactone, a rearranged phragmalin-type limonoid with anti-bacterial effect, from Swietenia mahagoni","RSC Advances","2013","3","15","4890","","10.1039/c3ra23401k","","","0.71073","MoKα","","0.1082","0.0723","","","0.202","0.2273","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238936","9.592","0.002","10.08","0.003","11.857","0.003","89.893","0.01","76.026","0.007","80.083","0.008","1094.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Cl N2 O3 -","- C28 H19 Cl N2 O3 -","- C56 H38 Cl2 N4 O6 -","2","1","","Wang, Qiang; Xu, Zhouqing; Fan, Xuesen","Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate","RSC Advances","2013","3","13","4156","","10.1039/c3ra23432k","","","0.71073","MoKα","","0.0652","0.0587","","","0.123","0.1266","","","","","","1.162","","","","has coordinates","244472","2020-10-21","18:00:00",""
"7238937","9.4369","0.0019","17.895","0.004","8.6611","0.0017","90","","91.58","0.03","90","","1462.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Wang, Qiang; Xu, Zhouqing; Fan, Xuesen","Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate","RSC Advances","2013","3","13","4156","","10.1039/c3ra23432k","","","0.71073","MoKα","","0.0627","0.0531","","","0.1262","0.1336","","","","","","1.116","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238938","10.085","0.002","11.302","0.002","13.269","0.003","80.76","0.03","78.81","0.03","82.3","0.03","1456.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-ethyl 2-(2-(2-(2,4-dinitrophenyl)hydrazono)-2-phenylethyl)-2,5-dimethyl-7-phenylbenzo[d][1,3]dioxole-4-carboxylate","","- C32 H27 N4 O8 -","- C32 H27 N4 O8 -","- C64 H54 N8 O16 -","2","1","","Wang, Qiang; Xu, Zhouqing; Fan, Xuesen","Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate","RSC Advances","2013","3","13","4156","","10.1039/c3ra23432k","","","0.71073","MoKα","","0.0884","0.0691","","","0.1609","0.1756","","","","","","1.112","","","","has coordinates","244472","2020-10-21","18:00:00",""
"7238939","34.3374","0.0012","6.0181","0.0002","18.6307","0.0006","90","","104.012","0.002","90","","3735.4","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C168 H192 N16 O8 -","8","1","","Bag, Subhendu Sekhar; Ghorai, Samir; Jana, Subhashis; Mukherjee, Chandan","Solvatochromic fluorescent cyanophenoxazine: design, synthesis, photophysical properties and fluorescence light-up sensing of ct-DNA","RSC Advances","2013","3","16","5374","","10.1039/c3ra23463k","","","0.71073","MoKα","","0.1038","0.0856","","","0.2631","0.2862","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238940","9.184","0.001","18.429","0.002","13.3004","0.0015","90","","94.728","0.002","90","","2243.5","0.4","291","1","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diethyl[(2S*,5S*,6S*)-3-benzyl-2-methyl-4-oxo-3,4,5,6- tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocin-5-yl]phosphonate","","- C23 H28 N O5 P -","- C23 H28 N O5 P -","- C92 H112 N4 O20 P4 -","4","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","0.71073","MoKα","","0.0567","0.0504","","","0.1457","0.1496","","","","","","1.03","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238941","10.2612","0.0001","11.1638","0.0001","11.3877","0.0001","88.85","0.001","70.398","0.001","70.439","0.001","1151.71","0.02","293","1","293","2","","","","","","","","5","P -1","-P 1","2","","diethyl ((3aR*,9R*,9aR*,10R*)-12-benzyl-11-oxo-2,3,9,9a-tetrahydro-1H-3a,9- (epiminoethano)cyclopenta[b]chromen-10-yl)phosphonate","","- C25 H30 N O5 P -","- C25 H30 N O5 P -","- C50 H60 N2 O10 P2 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0399","0.0397","","","0.1094","0.1096","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238942","10.3639","0.0019","11.35","0.002","11.563","0.002","87.909","0.005","70.26","0.005","69.399","0.005","1193.1","0.4","291","1","291","2","","","","","","","","5","P -1","-P 1","2","","diethyl ((4aR*,9R*,9aR*,11R*)-13-benzyl-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9- (epiminoethano)xanthen-11-yl)phosphonate","","- C26 H32 N O5 P -","- C26 H32 N O5 P -","- C52 H64 N2 O10 P2 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0604","0.0596","","","0.1745","0.1755","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238943","12.4626","0.0001","8.235","0.0001","12.6582","0.0001","90","","114.56","0.01","90","","1181.57","0.1","100","1","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl[(3R*,4R*,4aR*))-1-benzyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4,4a,5,6,7- octahydroquinolin-3-yl]phosphonate","","- C26 H32 N O5 P -","- C26 H32 N O5 P -","- C52 H64 N2 O10 P2 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0423","0.0423","","","0.1182","0.1182","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238944","9.2805","0.0001","12.9476","0.0002","16.1252","0.0002","99.392","0.001","91.714","0.001","90.912","0.001","1910.35","0.04","100","1","100","2","","","","","","","","4","P 1","P 1","1","","(3aS,9S,9aS)-10-methylene-12-[(R)-1-phenylethyl]-2,3,9,9a-tetrahydro-1H-3a,9- -(epiminoethano)cyclopenta[b]chromen-11-one","","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","1","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0257","0.0256","","","0.0741","0.0755","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238945","9.3543","0.0001","13.0737","0.0002","16.3819","0.0002","99.063","0.001","91.667","0.001","90.832","0.001","1977.21","0.04","291","1","291","2","","","","","","","","4","P 1","P 1","1","","(3aR,9R,9aR)-10-methylene-12-[(S)-1-phenylethyl]-2,3,9,9a-tetrahydro-1H-3a,9- -(epiminoethano)cyclopenta[b]chromen-11-one","","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","1","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0364","0.0362","","","0.107","0.1072","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238946","15.3327","0.0012","9.0849","0.0007","19.0305","0.0015","90","","101.416","0.003","90","","2598.4","0.4","291","1","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl [(3R,4R)-4-(2-hydroxyphenyl)-2-oxo-1-((R)-1- phenylethyl)-1,2,3,4,5,6,7,8-octahydroquinolin-3-yl]phosphonate","","- C54 H68 N2 O10 P2 -","- C54 H68 N2 O10 P2 -","- C108 H136 N4 O20 P4 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0425","0.0419","","","0.1175","0.1184","","","","","","1.03","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238947","15.3297","0.0002","9.0879","0.0001","19.0093","0.0003","90","","101.437","0.001","90","","2595.69","0.06","291","1","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl [(3S,4S)-4-(2-hydroxyphenyl)-2-oxo-1-((S)-1- phenylethyl)-1,2,3,4,5,6,7,8-octahydroquinolin-3-yl]phosphonate","","- C54 H68 N2 O10 P2 -","- C54 H68 N2 O10 P2 -","- C108 H136 N4 O20 P4 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0348","0.0342","","","0.0957","0.0964","","","","","","1.031","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238948","10.0647","0.0007","13.9863","0.0012","20.4134","0.0015","90","","90","","90","","2873.6","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 -","- C15 H22 N2 -","- C120 H176 N16 -","8","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.193","0.0813","","","0.1213","0.1605","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238949","8.531","0.003","18.801","0.007","11.864","0.005","90","","108.015","0.006","90","","1809.6","1.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.3165","0.0777","","","0.1658","0.2637","","","","","","0.856","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238950","12.9488","0.0007","14.6721","0.0012","25.565","0.002","90","","90","","90","","4857","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C224 H256 N32 O16 -","16","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.2501","0.0539","","","0.0597","0.0834","","","","","","0.709","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238951","16.4455","0.0008","7.7792","0.0003","18.8199","0.0009","90","","90","","90","","2407.68","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.117","0.0587","","","0.106","0.1285","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238952","10.024","0.001","5.3217","0.0005","16.2081","0.0016","90","","94.059","0.009","90","","862.45","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O -","- C10 H11 N O -","- C40 H44 N4 O4 -","4","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.1239","0.0682","","","0.1538","0.1894","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238953","17.324","0.003","9.7036","0.0013","18.044","0.003","90","","91.045","0.019","90","","3032.8","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 -","- C18 H21 N3 -","- C144 H168 N24 -","8","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.3784","0.0848","","","0.1207","0.1851","","","","","","0.771","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238954","15.422","0.0012","9.7194","0.0006","17.4527","0.0016","90","","110.396","0.01","90","","2452","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.2132","0.0748","","","0.1758","0.2186","","","","","","0.851","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238955","5.0442","0.001","5.2642","0.0011","8.9187","0.0018","90","","90","","90","","236.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Mo O6 Te Zn -","- Mo O6 Te Zn -","- Mo2 O12 Te2 Zn2 -","2","0.5","","Zhao, Sangen; Luo, Junhua; Zhou, Pan; Zhang, Shu-Quan; Sun, Zhihua; Hong, Maochun","ZnTeMoO6: a strong second-harmonic generation material originating from three types of asymmetric building units","RSC Advances","2013","3","33","14000","","10.1039/c3ra40247a","","","0.71073","MoKα","","0.0407","0.0336","","","0.0856","0.1368","","","","","","0.942","","","","has coordinates","244476","2020-10-21","18:00:00",""
"7238956","8.0693","0.0008","14.737","0.0013","18.6512","0.0018","90","","93.62","0.001","90","","2213.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang","Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles","RSC Advances","2013","3","15","5056","","10.1039/c3ra40252e","","","0.71073","MoKα","","0.0883","0.0491","","","0.1154","0.1461","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238957","10.5132","0.0011","10.604","0.0012","22.086","0.002","78.682","0.001","84.544","0.002","72.606","0.001","2302.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","2","","Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang","Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles","RSC Advances","2013","3","15","5056","","10.1039/c3ra40252e","","","0.71073","MoKα","","0.1553","0.0656","","","0.1345","0.1522","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238958","11.9309","0.0011","14.0473","0.0013","15.0113","0.0015","100.801","0.002","90.905","0.001","97.856","0.001","2445.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Br2 Cl N2 O2 -","- C25 H21 Br2 Cl N2 O2 -","- C100 H84 Br8 Cl4 N8 O8 -","4","2","","Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang","Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles","RSC Advances","2013","3","15","5056","","10.1039/c3ra40252e","","","0.71073","MoKα","","0.2959","0.1442","","","0.3698","0.4226","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238959","12.6212","0.0003","6.9825","0.0002","15.3469","0.0009","90","","101.991","0.003","90","","1322.97","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","","Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines","RSC Advances","2013","3","29","11502","","10.1039/c3ra40299a","","","0.71073","MoKα","","0.0377","0.0338","","","0.0861","0.0896","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238960","9.8446","0.0003","14.244","0.0003","15.0095","0.0003","90","","97.378","0.002","90","","2087.3","0.09","293","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O5 S -","- C21 H25 N O5 S -","- C84 H100 N4 O20 S4 -","4","1","","Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines","RSC Advances","2013","3","29","11502","","10.1039/c3ra40299a","","","0.71073","MoKα","","0.0448","0.0393","","","0.1062","0.1111","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238961","5.4787","0.0001","21.0779","0.0006","16.8942","0.0004","90","","93.526","0.002","90","","1947.24","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C84 H96 N16 O8 -","4","1","","Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines","RSC Advances","2013","3","29","11502","","10.1039/c3ra40299a","","","0.71073","MoKα","","0.0634","0.0501","","","0.1321","0.1427","","","","","","1.068","","","","has coordinates","244478","2020-10-21","18:00:00",""
"7238962","5.871","0.005","16.844","0.005","29.189","0.005","90","0.005","90","0.005","90","0.005","2887","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br2 Cl O -","- C15 H11 Br2 Cl O -","- C120 H88 Br16 Cl8 O8 -","8","1","","Xue, Hongxun; Tan, Hui; Wei, Donglei; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhao, Baozhong","N-Bromosuccinimide–carboxylic acid combination: mild and efficient access to dibromination of unsaturated carbonyl compounds","RSC Advances","2013","3","16","5382","","10.1039/c3ra40360b","","","0.71069","MoKα","","0.0727","0.0369","","","0.0692","0.0805","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238963","22.833","0.002","22.833","0.002","25.201","0.003","90","","90","","90","","13138","2","150","2","150","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C72 H160 Cl2 Dy2 O58 V12 -","- C64 H144 Cl2 Dy2 O56 V12 -","- C256 H576 Cl8 Dy8 O224 V48 -","4","0.125","","Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters","RSC Advances","2013","3","18","6299","","10.1039/c3ra40385h","","","0.71073","MoKα","","0.0918","0.0694","","","0.1871","0.2008","","","","","","1.057","","","","has coordinates,has disorder","244480","2020-10-21","18:00:00",""
"7238964","19.4147","0.0012","20.993","0.0013","46.517","0.004","90","","90","","90","","18959","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H123 Cl2 Dy2 O53 V12 -","- C54 H109.5 Cl Dy2 O53 V12 -","- C432 H876 Cl8 Dy16 O424 V96 -","8","1","","Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters","RSC Advances","2013","3","18","6299","","10.1039/c3ra40385h","","","0.71073","MoKα","","0.1177","0.0832","","","0.2062","0.2224","","","","","","1.112","","","","has coordinates,has disorder","244480","2020-10-21","18:00:00",""
"7238965","10.71","0.004","13.065","0.005","7.573","0.003","90","","97.613","0.005","90","","1050.3","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N9 O6 -","- C4 H7 N9 O6 -","- C16 H28 N36 O24 -","4","1","","Song, Jinhong; Wang, Kai; Liang, Lixuan; Bian, Chengming; Zhou, Zhiming","High-energy-density materials based on 1-nitramino-2,4-dinitroimidazole","RSC Advances","2013","3","27","10859","","10.1039/c3ra40410b","","","0.71073","MoKα","","0.0558","0.0347","","","0.0729","0.0793","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238966","8.5763","0.0004","11.3553","0.0005","14.2144","0.0007","88.862","0.004","73.88","0.004","85.889","0.004","1326.44","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C60 H44 N12 S4 -","4","2","","Ramulu, B. Janaki; Chanda, Tanmoy; Chowdhury, Sushobhan; Nandi, Ganesh C.; Singh, Maya Shankar","Organocatalyzed straightforward synthesis of highly fluorescent 3,5-disubstituted 2,6-dicyanoanilines via domino annulation of α-enolicdithioesters with malononitrile","RSC Advances","2013","3","16","5345","","10.1039/c3ra40450a","","","0.71073","MoKα","","0.0642","0.0421","","","0.093","0.1043","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238967","5.8622","0.0005","5.9939","0.0005","14.537","0.002","91.77","0.006","99.179","0.006","117.482","0.005","444.15","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H12 O5 -","- C8 H12 O5 -","- C16 H24 O10 -","2","1","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.0577","0.0406","","","0.1005","0.1066","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238968","19.425","0.003","6.0562","0.0008","20.621","0.004","90","","116.361","0.006","90","","2173.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O5 -","- C11 H16 O5 -","- C88 H128 O40 -","8","2","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.1968","0.0643","","","0.1303","0.184","","","","","","0.944","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238969","6.0548","0.0019","6.263","0.0016","17.151","0.005","92.206","0.018","90.083","0.015","115.426","0.014","586.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.1503","0.0577","","","0.1191","0.1733","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238970","9.8007","0.0003","6.1104","0.0004","21.5634","0.001","90","","112.699","0.003","90","","1191.33","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O7 -","- C12 H11 N O7 -","- C48 H44 N4 O28 -","4","1","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.0458","0.0344","","","0.0869","0.0916","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238971","14.7073","0.001","12.5151","0.001","7.3471","0.0006","90","","96.386","0.007","90","","1343.94","0.18","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Huang, Xiao-Jun; Wang, Lei; Shao, Meng; Hu, Shu-Zhi; Jiang, Ren-Wang; Yao, Xin-Sheng; Li, Yao-Lan; Yin, Zhi-Qi; Wang, Ying; Ye, Wen-Cai","Oleonin, the first secoiridoid with 1α-configuration from Ligustrum lucidum","RSC Advances","2013","3","37","16300","","10.1039/c3ra40557e","","","1.54184","CuKα","","0.0558","0.0435","","","0.1026","0.1107","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238972","9.3776","0.0005","13.9561","0.0009","14.0544","0.0008","90","","90","","90","","1839.37","0.19","113","2","113","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Iwakura, Izumi; Kato, Saki; Hino, Ryotaro; Fukumoto, Ayumu; Komori-Orisaku, Keiko; Koide, Yoshihiro","Pulsed Nd:YAG laser induced high throughput stereospecific [2 + 2] cycloaddition of highly organized 1,2-bis(4-pyridyl)ethylene in a supramolecular scaffold","RSC Advances","2013","3","16","5354","","10.1039/c3ra40558c","","","0.71075","MoKα","","0.0686","0.0597","","","0.1763","0.1916","","","","","","1.144","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238973","12.023","0.008","12.412","0.008","16.806","0.011","90","","109.855","0.007","90","","2359","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N O2 S -","- C30 H23 N O2 S -","- C120 H92 N4 O8 S4 -","4","1","","Xiao, Qing; Luo, Yong; Yan, Yujun; Ding, Qiuping; Wu, Jie","A palladium-catalyzed reaction of 2-alkynylbromobenzene with 2-(2-alkynyl)benzenesulfonamide","RSC Advances","2013","3","17","5779","","10.1039/c3ra40582f","","","0.71073","MoKα","","0.0623","0.0498","","","0.1251","0.1336","","","","","","1.065","","","","has coordinates","244486","2020-10-21","18:00:00",""
"7238974","16.85","0.004","6.4351","0.0018","22.782","0.006","90","","107.41","0.03","90","","2357.1","1.1","291.15","","291.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Li, Ye-Xin; Pang, Mao-Ping; Zhang, Zhen-Wei; Li, Guo-Bao; Sun, Guo-Xin","Substitution position tuning of the different aggregation-induced emission properties of four (1-naphthyl)vinyl(9-anthryl)vinylbenzene isomers: from ACQ to AIEE and AIE","RSC Advances","2013","3","35","14950","","10.1039/c3ra40612a","","","0.7107","MoKα","","0.21","0.0718","","","0.1227","0.1774","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238975","15.7869","0.0007","6.0629","0.0003","25.6359","0.001","90","","107.102","0.005","90","","2345.23","0.19","291.15","","291.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Li, Ye-Xin; Pang, Mao-Ping; Zhang, Zhen-Wei; Li, Guo-Bao; Sun, Guo-Xin","Substitution position tuning of the different aggregation-induced emission properties of four (1-naphthyl)vinyl(9-anthryl)vinylbenzene isomers: from ACQ to AIEE and AIE","RSC Advances","2013","3","35","14950","","10.1039/c3ra40612a","","","0.7107","MoKα","","0.0934","0.053","","","0.1104","0.1298","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238976","8.781","0.004","10.43","0.004","13.144","0.005","87.774","0.005","82.039","0.006","80.848","0.005","1176.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Cl2 N2 O -","- C30 H18 Cl2 N2 O -","- C60 H36 Cl4 N4 O2 -","2","1","","Liu, Gang; Liu, Hongliang; Pu, Shouzhi; Wu, Jie","An unexpected silver triflate-catalyzed reaction of 2-alkynylbenzaldoxime in the presence of benzoyl chloride","RSC Advances","2013","3","27","10666","","10.1039/c3ra40615f","","","0.71073","MoKα","","0.0893","0.0665","","","0.2005","0.2337","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238977","12.522","0.003","22.397","0.005","9.999","0.002","90","","90","","90","","2804.3","1.1","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H21 B Cl2 F2 Ir N3 O3 -","- C29 H21 B Cl2 F2 Ir N3 O3 -","- C116 H84 B4 Cl8 F8 Ir4 N12 O12 -","4","1","","Sun, Huibin; Yang, Lijuan; Yang, Huiran; Liu, Shujuan; Xu, Wenjuan; Liu, Xiangmei; Tu, Zhenzhen; Su, Haiquan; Zhao, Qiang; Huang, Wei","Heteronuclear phosphorescent iridium(iii) complexes with tunable photophysical and excited-state properties by chelating BF2 moiety for application in bioimaging","RSC Advances","2013","3","23","8766","","10.1039/c3ra40639c","","","0.71073","MoKα","","0.0322","0.0266","","","0.0621","0.0681","","","","","","1.047","","","","has coordinates","244489","2020-10-21","18:00:00",""
"7238978","26.5063","0.0014","14.8912","0.0008","19.0898","0.0014","90","","100.821","0.007","90","","7401","0.8","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H41 N2 O10 -","- C41 H41 N2 O9.5 -","- C328 H328 N16 O76 -","8","1","","Ibrahim, Yehia A.; Al-Awadi, Nouria A.; Al-Azemi, Talal F.; Abraham, Susan; John, Elizabeth","Sequential Staudinger ketene‒imine cycloaddition, RCM approach to polycyclic macrocyclic bisazetidinones","RSC Advances","2013","3","18","6408","","10.1039/c3ra40649k","","","0.71075","MoKα","","","0.0506","","","","0.1506","","","","","","1.037","","","","has coordinates","244490","2020-10-21","18:00:00",""
"7238979","11.8216","0.0004","19.5371","0.0006","17.1819","0.0012","90","","108.392","0.008","90","","3765.6","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 N2 O9 -","- C43 H44 N2 O9 -","- C172 H176 N8 O36 -","4","1","","Ibrahim, Yehia A.; Al-Awadi, Nouria A.; Al-Azemi, Talal F.; Abraham, Susan; John, Elizabeth","Sequential Staudinger ketene‒imine cycloaddition, RCM approach to polycyclic macrocyclic bisazetidinones","RSC Advances","2013","3","18","6408","","10.1039/c3ra40649k","","","0.71075","MoKα","","","0.0596","","","","0.1841","","","","","","1.095","","","","has coordinates","244491","2020-10-21","18:00:00",""
"7238980","29.474","0.011","5.5845","0.0018","14.548","0.005","90","","111.92","0.04","90","","2221.5","1.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 N3 O8 -","- C20 H27 N3 O8 -","- C80 H108 N12 O32 -","4","1","","Soni, Kiran; Sah, Ajay K.","Alanyl glycoconjugate: a selective receptor for free and protein-bound tryptophan","RSC Advances","2013","3","30","12096","","10.1039/c3ra40668g","","","0.71073","MoKα","","0.1337","0.0649","","","0.1672","0.1984","","","","","","0.893","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238981","13.8463","0.0013","10.151","0.0011","10.2472","0.0008","90","","91.449","0.008","90","","1439.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C60 H40 Br8 N8 -","4","1","","Zhang, Jiajun; Meng, Ling-Guo; Li, Pinhua; Wang, Lei","The sequential reactions of tetrazoles with bromoalkynes for the synthesis of (Z)-N-(2-bromo-1-vinyl)-N-arylcyanamides and 2-arylindoles","RSC Advances","2013","3","19","6807","","10.1039/c3ra40669e","","","0.71073","MoKα","","0.0839","0.0415","","","0.0753","0.0896","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238982","13.499","0.0012","10.1988","0.0009","10.2864","0.0011","90","","92.019","0.001","90","","1415.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br Cl N2 -","- C15 H10 Br Cl N2 -","- C60 H40 Br4 Cl4 N8 -","4","1","","Zhang, Jiajun; Meng, Ling-Guo; Li, Pinhua; Wang, Lei","The sequential reactions of tetrazoles with bromoalkynes for the synthesis of (Z)-N-(2-bromo-1-vinyl)-N-arylcyanamides and 2-arylindoles","RSC Advances","2013","3","19","6807","","10.1039/c3ra40669e","","","0.71073","MoKα","","0.0647","0.0363","","","0.0771","0.0871","","","","","","1.048","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7238983","10.706","0.002","14.746","0.003","16.87","0.004","90","","90","","90","","2663.3","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 F3 N O4 S -","- C9 H16 F3 N O4 S -","- C72 H128 F24 N8 O32 S8 -","8","2","","Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.","New asymmetric approach to β-trifluoromethyl isoserines","RSC Advances","2013","3","18","6479","","10.1039/c3ra40687c","","","0.71073","MoKα","","0.0262","0.0242","","","0.0594","0.0601","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238984","25.049","0.002","8.4762","0.0007","8.8991","0.0008","90","","90","","90","","1889.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H24 F3 N O6 S -","- C14 H24 F3 N O6 S -","- C56 H96 F12 N4 O24 S4 -","4","1","","Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.","New asymmetric approach to β-trifluoromethyl isoserines","RSC Advances","2013","3","18","6479","","10.1039/c3ra40687c","","","0.71073","MoKα","","0.0477","0.0455","","","0.1237","0.1251","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238985","9.689","0.004","15.769","0.009","18.511","0.007","90","","119.76","0.017","90","","2455","2","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An","AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations","RSC Advances","2013","3","21","7996","","10.1039/c3ra40734a","","","0.71073","MoKα","","0.1162","0.0547","","","0.1388","0.1673","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238986","19.567","0.012","5.624","0.004","13.776","0.012","90","","125.66","0.03","90","","1231.7","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","0.5","","Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An","AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations","RSC Advances","2013","3","21","7996","","10.1039/c3ra40734a","","","0.71073","MoKα","","0.0559","0.0387","","","0.0961","0.1064","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238987","13.427","0.0013","5.6126","0.0005","16.7627","0.0019","90","","91.685","0.01","90","","1262.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-methoxyphenyl)isoquinolin-1-amine","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Rao, D. Nageswar; Rasheed, Sk.; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi","Base and ligand free copper-catalyzed N-arylation of 2-amino-N-heterocycles with boronic acids in air","RSC Advances","2013","3","29","11472","","10.1039/c3ra40735g","","","0.71073","MoKα","","0.2057","0.0562","","","0.0782","0.1153","","","","","","0.954","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238988","10.8173","0.0019","11.0856","0.0019","13.235","0.002","89.971","0.01","69.525","0.01","63.586","0.011","1308.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N9 O8 -","- C19 H25 N9 O8 -","- C38 H50 N18 O16 -","2","1","","Radhakrishnan, K.; Burgula, Laxmi Narayana; Kundu, Lal Mohan","Watson‒Crick and Hoogsteen tri-base pairing: a co-crystal structure of a 2 : 1 complex of 6-isopropyluracil and adenine nucleobases","RSC Advances","2013","3","20","7282","","10.1039/c3ra40766g","","","0.71073","MoKα","","0.089","0.0645","","","0.1749","0.1892","","","","","","0.892","","","","has coordinates","244497","2020-10-21","18:00:00",""
"7238989","8.9957","0.0019","13.855","0.003","11.033","0.002","90","","90.941","0.006","90","","1374.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cd Cl2 N4 S -","- C9 H12 Cd Cl2 N4 S -","- C36 H48 Cd4 Cl8 N16 S4 -","4","1","","Manikandan, Rajendran; Chitrapriya, Nataraj; Jang, Yoon Jung; Viswanathamurthi, Periasamy","Evaluation of DNA-binding, radical scavenging and cytotoxic activity of five coordinated Cd(ii) complexes containing 2-acetylpyridine-N4-substituted thiosemicarbazone","RSC Advances","2013","3","29","11647","","10.1039/c3ra40814k","","","0.71073","MoKα","","0.0341","0.0289","","","0.0786","0.0822","","","","","","1.045","","","","has coordinates","244498","2020-10-21","18:00:00",""
"7238990","7.119","0.0005","7.462","0.0005","12.573","0.0009","76.093","0.003","85.589","0.003","73.234","0.003","620.74","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","","Petrov, Vesselin; Diniz, Ana Marta; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Kinetic and thermodynamic study of 2′-hydroxy-8-methoxyflavylium. Reaction network interconverting flavylium cation and flavanone","RSC Advances","2013","3","27","10786","","10.1039/c3ra40846a","","","0.71073","MoKα","","0.056","0.038","","","0.09","0.0988","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238991","18.8356","0.0003","9.5741","0.0001","15.4158","0.0002","90","","103.78","0.001","90","","2699.98","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O9 -","- C28 H28 N2 O9 -","- C112 H112 N8 O36 -","4","1","","Tan, Wei; Zhu, Xiao-Tong; Zhang, Shu; Xing, Gui-Juan; Zhu, Ren-Yi; Shi, Feng","Diversity-oriented synthesis of spiro-oxindole-based 2,5-dihydropyrroles via three-component cycloadditions and evaluation on their cytotoxicity","RSC Advances","2013","3","27","10875","","10.1039/c3ra40874d","","","1.54184","CuKα","","0.0501","0.0436","","","0.1179","0.1253","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238992","9.5334","0.0004","6.4275","0.0002","13.057","0.0005","90","","108.293","0.002","90","","759.65","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N4 S -","- C17 H14 N4 S -","- C34 H28 N8 S2 -","2","1","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.0479","0.0444","","","0.1197","0.1237","","","","","","0.909","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238993","9.0267","0.001","33.436","0.003","12.2036","0.0011","90","","100.916","0.006","90","","3616.6","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 N9 Ni O S2 -","- C37 H33 N9 Ni O S2 -","- C148 H132 N36 Ni4 O4 S8 -","4","2","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.2287","0.0879","","","0.2039","0.206","","","","","","0.857","","","","has coordinates","244501","2020-10-21","18:00:00",""
"7238994","7.5413","0.0004","13.9846","0.0008","15.6339","0.0009","90","","101.29","0.003","90","","1616.88","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl Cu N4 S -","- C17 H13 Cl Cu N4 S -","- C68 H52 Cl4 Cu4 N16 S4 -","4","1","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.0528","0.0306","","","0.0721","0.0771","","","","","","0.912","","","","has coordinates","244501","2020-10-21","18:00:00",""
"7238995","8.6741","0.0009","9.1126","0.0009","12.8419","0.0011","96.627","0.007","102.887","0.008","106.395","0.009","931.84","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","macrocycle","(6Z,16E)-2,9-Dioxa-17-methoxycarbonyltricyclo[17.3.0.010,15]docosane-1(19),6,10(15),11,13,16-hexaen-20-one","","- C22 H24 O5 -","- C22 H24 O5 -","- C44 H48 O10 -","2","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0727","0.0471","","","0.1042","0.1214","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238996","12.6354","0.0009","10.1017","0.0007","15.6517","0.0011","90","","95.22","0.001","90","","1989.5","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","macrocycle","(4E,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo [15.4.0.08,13]henicosane-1(17),4,8(13),15,18,20-hexaen-12-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.1257","0.0975","","","0.1821","0.1945","","","","","","1.289","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238997","9.5864","0.0007","12.2835","0.0009","14.5863","0.001","90","","97.979","0.001","90","","1701","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","macrocycle","(4E,14E)-2,7-Dioxa-15-methoxycarbonyltricyclo[15.3.0.08,13] icosane-1(17),4,8(13),9,11,14-hexaen- 18-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0955","0.0567","","","0.1175","0.134","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238998","20.44","0.006","10.579","0.003","7.873","0.002","90","","92.119","0.005","90","","1701.3","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","macrocycle","(4Z,14E)-2,7-Dioxa-15-methoxycarbonyltricyclo[15.3.0.08,13] icosane-1(17),4,8(13),9,11,14-hexaen-18-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0637","0.0503","","","0.1106","0.1175","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238999","8.4362","0.0009","10.6638","0.0012","12.5335","0.0014","76.146","0.002","79.366","0.002","84.811","0.002","1074.7","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","macrocycle","(4E,16E)-11,11-Dimethyl-2,8-dioxa-16-methoxycarbonyltricyclo[16.4.0.09,14]docosane-1(18),4,9(14),16,19,-21-hexaen-13-one","","- C24 H28 O5 -","- C24 H28 O5 -","- C48 H56 O10 -","2","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0954","0.085","","","0.215","0.2211","","","","","","1.178","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239000","12.4423","0.0016","12.3999","0.0016","13.5967","0.0018","90","","97.19","0.002","90","","2081.2","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(7Z,17E)-2,10-Dioxa-18-methoxycarbonyltricyclo(18.3.0.011,16) tricosane-1(20),7,11(16),12,14,17-hexaen-21-one","(7Z,17E)-2,10-Dioxa-18-methoxycarbonyltricyclo[18.3.0.011,16] tricosane-1(20),7,11(16),12,14,17-hexaen-21-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0865","0.0662","","","0.1879","0.2083","","","","","","1.061","","","","has coordinates,has disorder","244503","2020-10-21","18:00:00",""
"7239001","12.518","0.002","8.3814","0.0013","23.699","0.004","90","","103.33","0.003","90","","2419.5","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","macrocycle","(11E,21E)-2,14-Dioxa-22-methoxycarbonyltricyclo[22.3.0.015,20]heptacosane-1(24),11,15(20),16,18,21-hexaen-25-one","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.1089","0.0828","","","0.2082","0.225","","","","","","1.12","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239002","12.1101","0.001","12.3001","0.001","13.492","0.0011","90","","90","","90","","2009.7","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","macrocycle","(4E,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo[15.3.1.08,13]henicosane-1(21),4,-8(13),15,17,19-hexaen-12-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0693","0.0631","","","0.1357","0.1395","","","","","","1.142","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239003","25.1535","0.0018","8.7953","0.0006","36.307","0.003","90","","96.419","0.001","90","","7981.9","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(4Z,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo (15.3.1.08,13)henicosane-1(21),4,8(13),15,17,19-hexaen-12-one","(4Z,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo [15.3.1.08,13]henicosane-1(21),4,8(13),15,17,19-hexaen-12-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C368 H416 O80 -","16","2","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0658","0.0595","","","0.1441","0.1482","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239004","15.8167","0.0012","8.221","0.0006","15.9694","0.0012","90","","116.312","0.001","90","","1861.3","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","macrocycle","(4E,16E)-2,8-Dioxa-16-methoxycarbonyltricyclo[16.3.1.09,14]docosane-1(22),4,9(14),16,18,20-hexaen-13-one","","- C22 H24 O5 -","- C22 H24 O5 -","- C88 H96 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0567","0.0519","","","0.1315","0.1368","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239005","7.343","0.0007","12.189","0.0011","12.8943","0.0011","70.277","0.008","87.489","0.007","81.431","0.008","1074.23","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","ethyl 6-nitro-1H-indazole-3-carboxylate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C40 H36 N12 O16 -","4","2","","Ramesh, Samikannu; Arunachalam, Pirama Nayagam; Lalitha, Appaswami","Regioselective ethoxy-carbonylation of indoles and indazoles using DEAD and tetraethylammonium cyanide","RSC Advances","2013","3","23","8666","","10.1039/c3ra40972d","","","0.71073","MoKα","","0.1483","0.0965","","","0.2696","0.324","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239006","19.5407","0.0009","8.005","0.0004","6.7851","0.0003","90","","90","","90","","1061.35","0.09","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","S-3-benzyl-4-methyl-1,3-oxazolidine-2-thione, compound 11","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0334","0.0282","","","0.067","0.0692","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239007","7.4816","0.0002","15.2728","0.0004","9.6621","0.0003","90","","97.115","0.002","90","","1095.54","0.05","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-t-Butoxycarbonyl-4-methyl-1,3-oxazolidine-2-thione, 14","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0367","0.0293","","","0.0722","0.0759","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239008","9.1981","0.0004","9.2778","0.0003","23.4543","0.0011","90","","90","","90","","2001.55","0.14","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-t-Butoxycarbonyl-4-methyl-1,3-oxazolidine-2-one, 17","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0724","0.0494","","","0.095","0.1008","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239009","9.6972","0.0006","6.7661","0.0003","17.4884","0.001","90","","100.177","0.005","90","","1129.4","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Butoxycarbonyl-4-methylthiazolidin-2-one, compound 31","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0625","0.0516","","","0.1188","0.1271","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239010","11.4804","0.0003","9.954","0.0003","28.7919","0.0008","90","","90","","90","","3290.22","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(+/-)N-(t-Butoxycarbonyl)-O-(2',2'-dimethylpropanethiocarbonyl)-alaninol compound 35","","- C13 H25 N O3 S -","- C13 H25 N O3 S -","- C104 H200 N8 O24 S8 -","8","2","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0939","0.0636","","","0.1478","0.1595","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239011","13.1321","0.0004","11.0452","0.0003","10.1525","0.0003","90","","100.532","0.003","90","","1447.78","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-Dimethyl-O-((N'-Boc)-2-aminopropyl) thionocarbamate compound 36","","- C11 H22 N2 O3 S -","- C11 H22 N2 O3 S -","- C44 H88 N8 O12 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0505","0.0387","","","0.1099","0.1132","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239012","5.9611","0.0002","19.2487","0.0006","17.6222","0.0005","90","","94.909","0.003","90","","2014.61","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N-Dimethyl-O-((N',N'-di-Boc)-2-aminopropyl) thionocarbamate compound 37","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C64 H120 N8 O20 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0562","0.0398","","","0.1018","0.1058","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239013","12.2603","0.001","12.7294","0.0011","10.9082","0.0009","90","","110.413","0.006","90","","1595.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 N2 O3 -","- C13 H28 N2 O3 -","- C52 H112 N8 O12 -","4","1","","Wang, Hui; Gurau, Gabriela; Kelley, Steven P.; Myerson, Allan S.; Rogers, Robin D.","Hydrophobic vs. hydrophilic ionic liquid separations strategies in support of continuous pharmaceutical manufacturing","RSC Advances","2013","3","25","10019","","10.1039/c3ra41082j","","","0.71073","MoKα","","0.1278","0.0675","","","0.1561","0.1907","","","","","","1.027","","","","has coordinates,has disorder","301866","2025-08-22","21:38:35",""
"7239014","9.1727","0.0012","12.4922","0.0014","15.7956","0.0017","90","","104.861","0.012","90","","1749.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl0 O2 S -","- C11.4286 H6.28571 Cl0.571429 O1.71429 S1.14286 -","- C80 H44 Cl4 O12 S8 -","7","1.75","","Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes","RSC Advances","2013","3","33","13811","","10.1039/c3ra41100a","","","0.71073","MoKα","","0.1034","0.0636","","","0.1618","0.1954","","","","","","1.046","","","","has coordinates","244507","2020-10-21","18:00:00",""
"7239015","8.245","0.005","8.504","0.005","12.515","0.005","97.9","0.005","92.639","0.005","113.007","0.005","795.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","naphtho[b]thiophene","","","- C18 H10 O3 S3 -","- C18 H10 O3 S3 -","- C36 H20 O6 S6 -","2","1","","Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes","RSC Advances","2013","3","33","13811","","10.1039/c3ra41100a","","","0.71073","MoKα","","0.0597","0.0439","","","0.1173","0.1285","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239016","6.1217","0.0014","11.429","0.003","11.589","0.003","85.145","0.019","83.541","0.019","80.709","0.019","793.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes","RSC Advances","2013","3","33","13811","","10.1039/c3ra41100a","","","0.71073","MoKα","","0.1626","0.1058","","","0.2586","0.3071","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239017","25.197","0.005","12.849","0.005","25.351","0.005","90","0.005","105.04","0.005","90","0.005","7926","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H47 Cl2 N17 O8 Ru2 -","- C71 H47 Cl2 N17 O8 Ru2 -","- C284 H188 Cl8 N68 O32 Ru8 -","4","1","","Saha, Debasish; Das, Shyamal; Karmakar, Srikanta; Dutta, Supriya; Baitalik, Sujoy","Synthesis, structural characterization and anion-, cation- and solvent-induced tuning of photophysical properties of a bimetallic Ru(ii) complex: combined experimental and DFT/TDDFT investigation","RSC Advances","2013","3","38","17314","","10.1039/c3ra41114a","","","0.71073","MoKα","","0.1312","0.0779","","","0.1885","0.2084","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239018","21.75","0.006","9.476","0.003","24.315","0.007","90","","101.661","0.004","90","","4908","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N2 O6 -","- C27 H26 N2 O6 -","- C216 H208 N16 O48 -","8","1","","Huang, Lan; Su, Jingru; Zhong, Desheng; Wang, Haibo; Liu, Ruiyuan; Yu, Le; Zhu, Qiuhua; Liu, Shuwen","Copper-induced fluorescence enhancement and particle-size decrease of a C-6 unsubstituted tetrahydropyrimidine racemate","RSC Advances","2013","3","32","13286","","10.1039/c3ra41121d","","","0.71073","MoKα","","0.1063","0.0574","","","0.1305","0.1573","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239019","5.9139","0.0018","18.664","0.006","8.834","0.003","90","","93.314","0.005","90","","973.4","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H15 Cl N2 O5 -","- C23 H15 Cl N2 O5 -","- C46 H30 Cl2 N4 O10 -","2","1","","Ma, Shijun; Wu, Lulu; Liu, Ming; Xu, Xiufang; Huang, Yaodong; Wang, Yongmei","Highly enantioselective aza-Michael addition reactions of 4-nitrophthalimide with α,β-unsaturated ketones","RSC Advances","2013","3","29","11498","","10.1039/c3ra41179f","","","0.71073","MoKα","","0.0434","0.0309","","","0.0531","0.0555","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239020","11.3616","0.0015","11.6419","0.0015","14.837","0.0019","90","","96.197","0.002","90","","1951","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O -","- C28 H20 O -","- C112 H80 O4 -","4","1","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.1055","0.0416","","","0.0625","0.0711","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239021","12.975","0.003","7.2022","0.0015","19.2","0.004","90","","94.338","0.003","90","","1789.1","0.7","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","2","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.1354","0.0662","","","0.1318","0.1471","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239022","15.412","0.002","5.8149","0.0009","19.488","0.003","90","","96.633","0.002","90","","1734.8","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.0766","0.0472","","","0.1006","0.1091","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7239023","10.533","0.002","6.5954","0.0013","26.832","0.005","90","","97.565","0.003","90","","1847.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.0822","0.0484","","","0.1167","0.1308","","","","","","0.971","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239024","10.949","0.002","17.19","0.003","12.099","0.002","90","","90","","90","","2277.2","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H17 Cl4 Fe O -","- C23 H17 Cl4 Fe O -","- C92 H68 Cl16 Fe4 O4 -","4","0.5","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.1538","0.0765","","","0.1697","0.2092","","","","","","1","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239025","13.319","0.006","18.375","0.007","19.555","0.008","90","","90","","90","","4786","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H19 Cl4 Fe O2 -","- C24 H19 Cl4 Fe O2 -","- C192 H152 Cl32 Fe8 O16 -","8","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.0819","0.0413","","","0.0863","0.1038","","","","","","1.021","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239026","7.542","0.012","18.02","0.03","19.28","0.03","90","","96.98","0.02","90","","2601","7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl4 Fe O3 -","- C25 H21 Cl4 Fe O3 -","- C100 H84 Cl16 Fe4 O12 -","4","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.2712","0.0847","","","0.15","0.1981","","","","","","1.006","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239027","7.772","0.006","19.769","0.016","17.515","0.014","90","","92.98","0.01","90","","2687","4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl4 Fe O4 -","- C26 H23 Cl4 Fe O4 -","- C104 H92 Cl16 Fe4 O16 -","4","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.0981","0.0479","","","0.1068","0.1264","","","","","","0.999","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239028","10.487","0.0006","32.446","0.002","9.5526","0.0005","90","","107.715","0.004","90","","3096.3","0.3","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cl4 Fe O3 -","- C29 H25 Cl4 Fe O3 -","- C116 H100 Cl16 Fe4 O12 -","4","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.1069","0.0584","","","0.1643","0.1943","","","","","","1.036","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239029","12.5933","0.0011","15.1264","0.0013","15.0649","0.0013","90","","111.798","0.001","90","","2664.5","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thiophen-2-yl acetate","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","2","","Patpi, Santhosh Reddy; Sridhar, Balasubramanian; Tadikamalla, Prabhakar Rao; Kantevari, Srinivas","Pd-catalyzed site selective C‒H acetoxylation of aryl/heteroaryl/thiophenyl tethered dihydroquinolinones","RSC Advances","2013","3","26","10251","","10.1039/c3ra41312h","","","0.71073","MoKα","","0.0674","0.0563","","","0.1625","0.174","","","","","","1.187","","","","has coordinates,has disorder","244513","2020-10-21","18:00:00",""
"7239030","16.2313","0.001","15.4503","0.001","8.0772","0.0005","90","","96.738","0.001","90","","2011.6","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Patpi, Santhosh Reddy; Sridhar, Balasubramanian; Tadikamalla, Prabhakar Rao; Kantevari, Srinivas","Pd-catalyzed site selective C–H acetoxylation of aryl/heteroaryl/thiophenyl tethered dihydroquinolinones","RSC Advances","2013","3","26","10251","","10.1039/c3ra41312h","","","0.71073","MoKα","","0.0439","0.0377","","","0.1021","0.1075","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239031","25.7493","0.0014","8.1753","0.0003","21.7304","0.0012","90","","117.408","0.007","90","","4061","0.4","291","2","291.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 O -","- C28 H20 O -","- C224 H160 O8 -","8","1","","Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie","Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes","RSC Advances","2013","3","32","13140","","10.1039/c3ra41326h","","","0.7107","MoKα","","0.0786","0.048","","","0.1043","0.1209","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239032","19.936","0.0009","7.9365","0.0003","25.6157","0.0014","90","","127.958","0.003","90","","3195.6","0.3","291","2","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 O -","- C41 H35 O -","- C164 H140 O4 -","4","1","","Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie","Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes","RSC Advances","2013","3","32","13140","","10.1039/c3ra41326h","","","1.5418","CuKα","","0.0951","0.0764","","","0.2249","0.2499","","","","","","1.06","","","","has coordinates,has disorder","244514","2020-10-21","18:00:00",""
"7239033","10.131","0.003","10.15","0.002","14.682","0.004","99.93","0.02","93.55","0.02","114.56","0.03","1337.5","0.7","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 O -","- C36 H28 O -","- C72 H56 O2 -","2","1","","Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie","Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes","RSC Advances","2013","3","32","13140","","10.1039/c3ra41326h","","","1.5418","CuKα","","0.0672","0.0451","","","0.1212","0.1409","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239034","8.2474","0.0016","17.675","0.003","11.501","0.002","90","","101.32","0.03","90","","1643.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Long, Lingliang; Li, Xiufen; Zhang, Dongdong; Meng, Suci; Zhang, Jinfang; Sun, Xianglan; Zhang, Chi; Zhou, Liping; Wang, Lin","Amino-coumarin based fluorescence ratiometric sensors for acidic pH and their application for living cells imaging","RSC Advances","2013","3","30","12204","","10.1039/c3ra41329b","","","0.71073","MoKα","","0.0741","0.0549","","","0.1128","0.1234","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239035","7.6964","0.0006","9.0385","0.0009","28.1815","0.0019","90","","90","","90","","1960.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Savić, Marina P.; Djurendić, Evgenija A.; Petri, Edward T.; Ćelić, Andjelka; Klisurić, Olivera R.; Sakač, Marija N.; Jakimov, Dimitar S.; Kojić, Vesna V.; Gaši, Katarina M. Penov","Synthesis, structural analysis and antiproliferative activity of some novel D-homo lactone androstane derivatives","RSC Advances","2013","3","26","10385","","10.1039/c3ra41336e","","","1.5418","CuKα","","0.0711","0.0448","","","0.1108","0.1413","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239036","7.6411","0.0003","8.3284","0.0004","27.4713","0.0013","90","","90","","90","","1748.22","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O5 -","- C19 H27 N O5 -","- C76 H108 N4 O20 -","4","1","","Savić, Marina P.; Djurendić, Evgenija A.; Petri, Edward T.; Ćelić, Andjelka; Klisurić, Olivera R.; Sakač, Marija N.; Jakimov, Dimitar S.; Kojić, Vesna V.; Gaši, Katarina M. Penov","Synthesis, structural analysis and antiproliferative activity of some novel D-homo lactone androstane derivatives","RSC Advances","2013","3","26","10385","","10.1039/c3ra41336e","","","0.71073","MoKα","","0.0571","0.0465","","","0.0901","0.0946","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239037","9.0098","0.0008","11.0194","0.0011","18.008","0.002","90","","101.284","0.01","90","","1753.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O5 -","- C20 H17 N2 O5 -","- C80 H68 N8 O20 -","4","1","","Jaiswal, Pradeep Kumar; Biswas, Soumen; Singh, Shivendra; Pathak, Biswarup; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective synthesis of highly functionalized tetrahydrocarbazoles through a domino Michael‒Henry reaction: an easy access to four contiguous chiral centers","RSC Advances","2013","3","27","10644","","10.1039/c3ra41409d","","","0.71073","MoKα","","0.1045","0.0962","","","0.244","0.2504","","","","","","1.049","","","","has coordinates","244517","2020-10-21","18:00:00",""
"7239038","8.876","0.0002","11.1516","0.0002","17.9923","0.0006","90","","104.062","0.003","90","","1727.54","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Jaiswal, Pradeep Kumar; Biswas, Soumen; Singh, Shivendra; Pathak, Biswarup; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective synthesis of highly functionalized tetrahydrocarbazoles through a domino Michael–Henry reaction: an easy access to four contiguous chiral centers","RSC Advances","2013","3","27","10644","","10.1039/c3ra41409d","","","0.71073","MoKα","","0.0888","0.0832","","","0.2457","0.2516","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239039","9.95","0.004","13.482","0.005","17.253","0.006","90","","105.438","0.009","90","","2230.9","1.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H48 Cu N6 O8 -","- C48 H48 Cu N6 O8 -","- C96 H96 Cu2 N12 O16 -","2","1","","Samanta, Suvendu; Das, Sudipto; Samanta, Partha Kumar; Dutta, Supriya; Biswas, Papu","A mononuclear copper(ii) complex immobilized in mesoporous silica: an efficient heterogeneous catalyst for the aerobic oxidation of benzylic alcohols","RSC Advances","2013","3","42","19455","","10.1039/c3ra41417e","","","0.71073","MoKα","","0.0344","0.0303","","","0.0742","0.077","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239040","9.469","0.003","10.956","0.003","12.77","0.004","70.023","0.004","68.5","0.004","87.844","0.004","1152.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cu N10 S2 -","- C19 H24 Cu N10 S2 -","- C38 H48 Cu2 N20 S4 -","2","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7–d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.0784","0.0508","","","0.1245","0.1421","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239041","8.8512","0.0018","11.923","0.002","13.48","0.003","65.61","0.03","89.96","0.03","70.44","0.03","1205.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N10 Ni S2 -","- C19 H24 N10 Ni S2 -","- C38 H48 N20 Ni2 S4 -","2","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7–d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.0912","0.058","","","0.152","0.1675","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239042","7.7012","0.0017","11.514","0.003","14.198","0.003","85.868","0.004","75.758","0.004","86.508","0.004","1215.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Co N10 S2 -","- C19 H24 Co N10 S2 -","- C38 H48 Co2 N20 S4 -","2","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7–d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.079","0.0554","","","0.1493","0.1591","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239043","13.9708","0.0007","15.4535","0.0008","11.0815","0.0005","90","","106.174","0.001","90","","2297.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N14 Ni O -","- C17 H26 N14 Ni O -","- C68 H104 N56 Ni4 O4 -","4","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7–d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.0618","0.0515","","","0.1339","0.1464","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239044","16.86","0.004","11.386","0.004","11.379","0.003","90","","95.365","0.007","90","","2174.8","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Co N14 -","- C17 H24 Co N14 -","- C68 H96 Co4 N56 -","4","0.5","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7–d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.057","0.0397","","","0.1003","0.1073","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239045","22.219","0.0013","7.2701","0.0003","19.4157","0.0011","90","","117.964","0.007","90","","2770.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Lei, Shenghui","Synthetic studies towards the Lycopodium alkaloid paniculatine","RSC Advances","2013","3","27","11014","","10.1039/c3ra41467a","","","1.54184","CuKα","","0.0455","0.0436","","","0.114","0.1156","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239046","12.8516","0.0006","9.598","0.0004","17.1017","0.0009","90","","98.929","0.005","90","","2083.92","0.17","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Lei, Shenghui","Synthetic studies towards the Lycopodium alkaloid paniculatine","RSC Advances","2013","3","27","11014","","10.1039/c3ra41467a","","","1.54184","CuKα","","0.0815","0.0595","","","0.1459","0.1648","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239047","12.523","0.0003","9.641","0.0002","14.152","0.0004","90","","102.01","0.003","90","","1671.23","0.07","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Cl N O3 -","- C17 H26 Cl N O3 -","- C68 H104 Cl4 N4 O12 -","4","1","","Lei, Shenghui","Synthetic studies towards the Lycopodium alkaloid paniculatine","RSC Advances","2013","3","27","11014","","10.1039/c3ra41467a","","","1.5418","CuKα","","0.0508","0.0384","","","0.0996","0.1156","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239048","6.8754","0.0003","10.7487","0.0005","11.7991","0.0006","91.303","0.003","92.041","0.003","99.15","0.003","859.97","0.07","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O -","- C20 H28 O -","- C40 H56 O2 -","2","1","","Kakde, Badrinath N.; De, Subhadip; Dey, Dhananjay; Bisai, Alakesh","Metal triflate-catalyzed cyclization of arylvinylcarbinols: formal synthesis of (±)-dichroanone and (±)-taiwaniaquinone H","RSC Advances","2013","3","22","8176","","10.1039/c3ra41497c","","","0.71073","MoKα","","0.0935","0.0724","","","0.2132","0.2331","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239049","8.0057","0.0015","19.331","0.004","9.6263","0.0016","90","","95.807","0.011","90","","1482.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Kakde, Badrinath N.; De, Subhadip; Dey, Dhananjay; Bisai, Alakesh","Metal triflate-catalyzed cyclization of arylvinylcarbinols: formal synthesis of (±)-dichroanone and (±)-taiwaniaquinone H","RSC Advances","2013","3","22","8176","","10.1039/c3ra41497c","","","0.71073","MoKα","","0.0805","0.0472","","","0.1136","0.1254","","","","","","0.975","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239050","9.524","0.003","9.968","0.003","10.582","0.003","96.259","0.005","102.562","0.005","90.735","0.005","974","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 N3 O4 -","- C19 H27 N3 O4 -","- C38 H54 N6 O8 -","2","1","","Joseph, Nayana; Rajan, Rani; John, Jubi; Devika, N. V.; Chand, S. Sarath; Suresh, E.; Pihko, Petri M.; Radhakrishnan, K. V.","An exclusive approach to 3,4-disubstituted cyclopentenes and alkylidene cyclopentenes via the palladium catalyzed ring opening of azabicyclic olefins with aryl halides","RSC Advances","2013","3","21","7751","","10.1039/c3ra41504j","","","0.71073","MoKα","","0.0925","0.0783","","","0.1668","0.175","","","","","","1.182","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239051","7.8668","0.0002","15.1461","0.0003","15.4604","0.0004","77.883","0.001","89.983","0.001","78","0.001","1759.92","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Bromophenyl)-6-(methylamino)-5-nitro-2-phenyl- 4H-pyran-3-carbonitrile","","- C19 H14 Br N3 O3 -","- C19 H14 Br N3 O3 -","- C76 H56 Br4 N12 O12 -","4","2","","Sivakumar, Sathiyamoorthi; Kanchithalaivan, Selvaraj; Kumar, Raju Ranjith","A one-pot three-component domino protocol for the synthesis of penta-substituted 4H-pyrans","RSC Advances","2013","3","32","13357","","10.1039/c3ra41510d","","","0.71073","MoKα","","0.0864","0.0479","","","0.1119","0.1288","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239052","6.77744","0.00012","14.074","0.0003","19.0348","0.0004","90","","90","","90","","1815.65","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar; Reddy, P. Srinivasa","Direct organocatalytic stereoselective transfer hydrogenation of conjugated olefins of steroids","RSC Advances","2013","3","32","13497","","10.1039/c3ra41519h","","","1.5418","CuKα","","0.0499","0.0466","","","0.1301","0.1336","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239053","7.9253","0.0018","8.4074","0.0017","25.074","0.005","90","","90","","90","","1670.7","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar; Reddy, P. Srinivasa","Direct organocatalytic stereoselective transfer hydrogenation of conjugated olefins of steroids","RSC Advances","2013","3","32","13497","","10.1039/c3ra41519h","","","0.71073","MoKα","","0.0877","0.0588","","","0.1188","0.1356","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239054","11.9651","0.0006","19.467","0.0012","12.9495","0.0007","90","","91.992","0.002","90","","3014.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Ce2 Cl2 O20 Ti4 -","- C36 H92 Ce2 Cl2 O20 Ti4 -","- C72 H184 Ce4 Cl4 O40 Ti8 -","2","0.5","","Lv, Yaokang; Yao, Mingming; Holgado, Juan Pedro; Roth, Torsten; Steiner, Alexander; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A low-temperature single-source route to an efficient broad-band cerium(iii) photocatalyst using a bimetallic polyoxotitanium cage","RSC Advances","2013","3","33","13659","","10.1039/c3ra41524d","","","0.71073","MoKα","","0.0439","0.0319","","","0.0749","0.0828","","","","","","0.991","","","","has coordinates","244525","2020-10-21","18:00:00",""
"7239055","15.63","0.004","23.318","0.005","20.732","0.005","90","","93.994","0.007","90","","7538","3","199","2","199","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H110 Ce O29 Ti8 -","- C44 H110 Ce O29 Ti8 -","- C176 H440 Ce4 O116 Ti32 -","4","0.5","","Lv, Yaokang; Yao, Mingming; Holgado, Juan Pedro; Roth, Torsten; Steiner, Alexander; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A low-temperature single-source route to an efficient broad-band cerium(iii) photocatalyst using a bimetallic polyoxotitanium cage","RSC Advances","2013","3","33","13659","","10.1039/c3ra41524d","","","0.71073","MoKα","","0.0671","0.0462","","","0.1137","0.1305","","","","","","1.037","","","","has coordinates,has disorder","244525","2020-10-21","18:00:00",""
"7239056","8.8513","0.0005","16.517","0.0009","11.4378","0.0006","90","","94.84","0.001","90","","1666.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C72 H84 N12 O8 S4 -","4","1","","Chen, Li-Hsun; Chuang, Ying-Sheng; Narhe, Bharat D.; Sun, Chung-Ming","A concise synthesis of 2-(2-aminothiophene)-benzimidazoles by one-pot multicomponent reaction","RSC Advances","2013","3","33","13934","","10.1039/c3ra41545g","","","0.71073","MoKα","","0.0402","0.0319","","","0.0783","0.083","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239057","21.059","0.003","11.2828","0.0016","15.679","0.002","90","","95.888","0.002","90","","3705.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4Z)-4-(2-(imidazolidin-2-ylidene)-3-oxo-3-phenylpropylidene) -3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C176 H160 N32 O16 -","8","2","","Yu, Fuchao; Chen, Zhiqiong; Hao, Xiaopan; Jiang, Xiuyang; Yan, Shengjiao; Lin, Jun","Three component solvent-free synthesis of 1H-pyrazol-5(4H)-one-based heterocyclic ketene aminal derivatives","RSC Advances","2013","3","32","13183","","10.1039/c3ra41547c","","","0.71073","MoKα","","0.1247","0.0525","","","0.1139","0.1373","","","","","","0.907","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239058","12.774","0.005","19.299","0.005","11.056","0.005","90","","98.752","0.005","90","","2693.8","1.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C16 H25 Cu4 N12 O41 P W12 -","- C16 H24 Cu4 N12 O41 P W12 -","- C32 H48 Cu8 N24 O82 P2 W24 -","2","0.25","","Tian, AiXiang; Lin, XiaoLing; Liu, XiaoJing; Ying, Jun; Wang, XiuLi","Hydroxyl- and chloro-bridges as “structural assistants” in the construction of two new Keggin-based 3D frameworks","RSC Advances","2013","3","38","17188","","10.1039/c3ra41567h","","","0.71069","MoKα","","0.0463","0.0378","","","0.1048","0.1108","","","","","","0.985","","","","has coordinates","244528","2020-10-21","18:00:00",""
"7239059","12.067","0.005","15.262","0.005","20.31","0.005","96.457","0.005","95.796","0.005","90.465","0.005","3697","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H54 Cl Cu2 N24 O43 P W12 -","- C32 H48 Cl Cu2 N24 O43 P W12 -","- C64 H96 Cl2 Cu4 N48 O86 P2 W24 -","2","1","","Tian, AiXiang; Lin, XiaoLing; Liu, XiaoJing; Ying, Jun; Wang, XiuLi","Hydroxyl- and chloro-bridges as “structural assistants” in the construction of two new Keggin-based 3D frameworks","RSC Advances","2013","3","38","17188","","10.1039/c3ra41567h","","","0.71069","MoKα","","0.104","0.0763","","","0.1572","0.1705","","","","","","1.093","","","","has coordinates,has disorder","244528","2020-10-21","18:00:00",""
"7239060","9.88","0.0005","22.9781","0.0015","6.1558","0.0004","90","","90","","90","","1397.51","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C64 H48 N8 O8 S4 -","4","1","","Tiwari, Karishma; Mishra, Monika; Singh, Vinod P.","A highly sensitive and selective fluorescent sensor for Al3+ ions based on thiophene-2-carboxylic acid hydrazide Schiff base","RSC Advances","2013","3","30","12124","","10.1039/c3ra41573b","","","0.71073","MoKα","","0.0619","0.0439","","","0.0852","0.0963","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239061","4.9215","0.0007","13.8042","0.0018","26.079","0.003","90","","90","","90","","1771.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br N2 O3 -","- C19 H21 Br N2 O3 -","- C76 H84 Br4 N8 O12 -","4","1","","Maurya, Hardesh K.; Vasudev, Prema G.; Gupta, Atul","A regioselective synthesis of 2,6-diarylpyridines","RSC Advances","2013","3","31","12955","","10.1039/c3ra41575a","","","0.71073","MoKα","","0.0244","0.0224","","","0.0573","0.0583","","","","","","0.806","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239062","13.228","0.003","12.583","0.003","26.182","0.008","90","","108.3","0.03","90","","4138","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F9 Nd O14 -","- C40 H36 F9 Nd O14 -","- C160 H144 F36 Nd4 O56 -","4","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials – PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.076","0.0508","","","0.1124","0.1248","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239063","11.777","0.002","12.332","0.003","18.168","0.004","78.47","0.03","88.87","0.03","70.05","0.03","2426.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Cl4 F9 O15 Yb -","- C41 H40 Cl4 F9 O15 Yb -","- C82 H80 Cl8 F18 O30 Yb2 -","2","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials ‒ PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.0765","0.0564","","","0.1425","0.1592","","","","","","1.035","","","","has coordinates","244531","2020-10-21","18:00:00",""
"7239064","13.3522","0.0005","19.6431","0.0009","19.7333","0.0005","90","","106.942","0.003","90","","4951","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 F9 N2 Nd O12 -","- C51 H38 F9 N2 Nd O12 -","- C204 H152 F36 N8 Nd4 O48 -","4","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials – PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.1091","0.0575","","","0.1113","0.1324","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239065","8.4438","0.0006","11.4961","0.0008","13.5973","0.0009","103.513","0.006","96.609","0.006","95.597","0.006","1264.21","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 F3 O4 -","- C13 H11 F3 O4 -","- C52 H44 F12 O16 -","4","2","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials ‒ PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.0702","0.0458","","","0.1033","0.1194","","","","","","1.022","","","","has coordinates,has disorder","244531","2020-10-21","18:00:00",""
"7239069","8.1895","0.0002","8.5987","0.0003","16.7988","0.0005","92.215","0.002","102.812","0.002","105.961","0.002","1102.75","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 N8 Ni O2 S4 -","- C46 H50 N8 Ni O2 S4 -","- C46 H50 N8 Ni O2 S4 -","1","0.5","","Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.","Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties","RSC Advances","2013","3","30","12075","","10.1039/c3ra41633j","","","1.54178","CuKα","","0.0435","0.042","","","0.1202","0.1217","","","","","","1.05","","","","has coordinates,has disorder","244534","2020-10-21","18:00:00",""
"7239070","14.8356","0.0002","10.8116","0.0002","13.3564","0.0002","90","","93.711","0.001","90","","2137.83","0.06","133","2","133","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N8 Ni S4 -","- C48 H50 N8 Ni S4 -","- C96 H100 N16 Ni2 S8 -","2","0.5","","Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.","Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties","RSC Advances","2013","3","30","12075","","10.1039/c3ra41633j","","","1.5418","CuKα","","0.0267","0.0257","","","0.0701","0.0707","","","","","","1.062","","","","has coordinates","244534","2020-10-21","18:00:00",""
"7239071","15.263","0.0003","9.2809","0.0002","16.8903","0.0003","90","","93.097","0.002","90","","2389.09","0.08","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N8 Ni O2 S4 -","- C50 H58 N8 Ni O2 S4 -","- C100 H116 N16 Ni2 O4 S8 -","2","0.5","","Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.","Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties","RSC Advances","2013","3","30","12075","","10.1039/c3ra41633j","","","1.54184","CUKα","","0.0318","0.0307","","","0.0849","0.0859","","","","","","1.033","","","","has coordinates","244534","2020-10-21","18:00:00",""
"7239072","5.6282","0.0009","9.0457","0.0014","22.768","0.004","90","","90","","90","","1159.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C44 H40 Br4 N12 O4 -","4","1","","Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang","Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors","RSC Advances","2013","3","24","9154","","10.1039/c3ra41640b","","","0.71073","MoKα","","0.0557","0.0462","","","0.1173","0.122","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239073","5.5927","0.001","9.9073","0.0017","11.448","0.002","113.882","0.004","91.874","0.004","99.063","0.004","569.49","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C22 H20 Br2 N6 O2 -","2","2","","Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang","Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors","RSC Advances","2013","3","24","9154","","10.1039/c3ra41640b","","","0.71073","MoKα","","0.0523","0.0355","","","0.0814","0.088","","","","","","0.947","","","","has coordinates,has disorder","244535","2020-10-21","18:00:00",""
"7239074","16.4103","0.0006","10.588","0.0004","16.0074","0.0006","90","","94.814","0.002","90","","2771.51","0.18","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0591","0.042","","","0.1066","0.1184","","","","","","0.908","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239075","33.6125","0.0006","8.5624","0.0002","26.3251","0.0006","90","","116.544","0.001","90","","6777.8","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N2 -","- C46 H30 N2 -","- C368 H240 N16 -","8","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0794","0.0621","","","0.1961","0.2167","","","","","","0.86","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239076","10.7889","0.0003","19.9049","0.0005","17.5852","0.0005","90","","106.621","0.001","90","","3618.67","0.17","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C52 H35 N3 -","- C52 H35 N3 -","- C208 H140 N12 -","4","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.1304","0.0643","","","0.169","0.2234","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239077","10.7569","0.0003","13.6042","0.0003","16.642","0.0004","106.93","0.002","104.183","0.002","90.917","0.002","2248.77","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H39 N3 -","- C58 H39 N3 -","- C116 H78 N6 -","2","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0736","0.0485","","","0.1486","0.1723","","","","","","0.687","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239078","13.1698","0.0003","14.2017","0.0003","25.4887","0.0005","100.776","0.002","96.286","0.001","94.685","0.002","4629.48","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H55 B N -","- C57 H48 B N -","- C228 H192 B4 N4 -","4","2","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.2158","0.0719","","","0.1659","0.1993","","","","","","0.805","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239079","10.703","0.0012","13.3547","0.0015","14.8791","0.0013","92.18","0.003","90.261","0.003","109.366","0.003","2004.6","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H39 Cl2 N -","- C54 H39 Cl2 N -","- C108 H78 Cl4 N2 -","2","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0557","0.0435","","","0.1235","0.1372","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239080","20.791","0.011","5.874","0.003","11.646","0.006","90","","90","","90","","1422.3","1.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Fe N2 O -","- C17 H16 Fe N2 O -","- C68 H64 Fe4 N8 O4 -","4","1","","Kashyap, Bishwapran; Phukan, Prodeep","A new ferrocene-based bulky pyridine as an efficient reusable homogeneous catalyst","RSC Advances","2013","3","35","15327","","10.1039/c3ra41674g","","","0.71073","MoKα","","0.0358","0.0335","","","0.0733","0.0742","","","","","","1.1","","","","has coordinates","244537","2020-10-21","18:00:00",""
"7239081","28.447","0.009","6.2758","0.0019","12.914","0.004","90","","116.647","0.007","90","","2060.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C96 H88 Fe4 N16 O8 -","4","0.5","","Kashyap, Bishwapran; Phukan, Prodeep","A new ferrocene-based bulky pyridine as an efficient reusable homogeneous catalyst","RSC Advances","2013","3","35","15327","","10.1039/c3ra41674g","","","0.71073","MoKα","","0.0388","0.0366","","","0.0946","0.0965","","","","","","1.118","","","","has coordinates","244537","2020-10-21","18:00:00",""
"7239082","5.9746","0.0003","17.1181","0.0011","25.5543","0.0015","90","","90","","90","","2613.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 F6 N O3 -","- C28 H29 F6 N O3 -","- C112 H116 F24 N4 O12 -","4","1","","Romanski, Jan; Nowak, Piotr; Maksymiuk, Anna; Chapuis, Christian; Jurczak, Janusz","Diastereoselective 1,3-dipolar cycloadditions of both electronically modified phenyl-nitrile oxides and stilbenes","RSC Advances","2013","3","45","23105","","10.1039/c3ra41718b","","","0.71073","MoKα","","0.0442","0.0394","","","0.1185","0.1247","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239083","9.0578","0.0003","17.9136","0.0007","10.2169","0.0004","90","","113.597","0.002","90","","1519.16","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H47 N O5 -","- C32 H47 N O5 -","- C64 H94 N2 O10 -","2","1","","Romanski, Jan; Nowak, Piotr; Maksymiuk, Anna; Chapuis, Christian; Jurczak, Janusz","Diastereoselective 1,3-dipolar cycloadditions of both electronically modified phenyl-nitrile oxides and stilbenes","RSC Advances","2013","3","45","23105","","10.1039/c3ra41718b","","","0.71073","MoKα","","0.0452","0.0405","","","0.1096","0.1136","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239084","16.705","0.002","21.458","0.002","12.8736","0.0009","90","","99.698","0.009","90","","4548.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br N3 O2 S -","- C26 H20 Br N3 O2 S -","- C208 H160 Br8 N24 O16 S8 -","8","2","","Postolachi, Rodica; Danac, Ramona; Buurma, Niklaas J.; Pui, Aurel; Balan, Mihaela; Shova, Sergiu; Deleanu, Calin","New cycloimmonium ylide ligands and their palladium(ii) affinities","RSC Advances","2013","3","38","17260","","10.1039/c3ra41911h","","","0.7107","MoKα","","0.3011","0.0868","","","0.0991","0.149","","","","","","0.834","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239085","17.4912","0.0006","12.3477","0.0004","23.7674","0.0008","90","","93.302","0.001","90","","5124.7","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cl6 N4 -","- C60 H42 Cl6 N4 -","- C240 H168 Cl24 N16 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0763","0.0685","","","0.1881","0.1949","","","","","","1.059","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239086","24.8385","0.0006","11.3087","0.0002","12.6953","0.0003","90","","112.668","0.001","90","","3290.54","0.13","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H25 Cl3 O2 -","- C45 H25 Cl3 O2 -","- C180 H100 Cl12 O8 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0607","0.0584","","","0.1496","0.1529","","","","","","1.07","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239087","11.4108","0.0003","11.8461","0.0003","13.6538","0.0003","83.843","0.001","66.38","0.001","84.23","0.001","1677.9","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H25 Cl3 O2 -","- C45 H25 Cl3 O2 -","- C90 H50 Cl6 O4 -","2","1","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0611","0.047","","","0.1227","0.1352","","","","","","1.055","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239088","10.2853","0.0003","12.1795","0.0004","14.7576","0.0005","90","","106.415","0.001","90","","1773.33","0.1","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 O2 -","- C52 H40 O2 -","- C104 H80 O4 -","2","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0716","0.0668","","","0.1822","0.1868","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239089","24.018","0.003","10.21","0.0014","22.028","0.003","90","","90.352","0.002","90","","5401.7","1.2","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C67 H53 Cl9 -","- C67 H53 Cl9 -","- C268 H212 Cl36 -","4","1","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71073","MoKα","","0.1651","0.0774","","","0.1927","0.2429","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239090","24.6901","0.0005","21.1291","0.0005","17.5492","0.0004","90","","130.453","0.001","90","","6966.4","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Cl12 F12 -","- C72 H50 Cl12 F12 -","- C288 H200 Cl48 F48 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0854","0.0693","","","0.2002","0.2151","","","","","","1.064","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239091","11.1984","0.0005","11.3073","0.0005","16.8154","0.0007","73.809","0.001","86.841","0.001","75.504","0.001","1979.43","0.15","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H52 O -","- C56 H52 O -","- C112 H104 O2 -","2","1","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0902","0.0697","","","0.2024","0.2343","","","","","","1.055","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239092","41.93","0.004","15.3835","0.0014","18.8623","0.0018","90","","102.912","0.001","90","","11859.1","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.33 H40 Br2 Cl1.74 O0.75 -","- C53.3333 H40 Br2 Cl1.746 O0.751333 -","- C640 H480 Br24 Cl20.952 O9.016 -","12","1.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71073","MoKα","","0.1482","0.0994","","","0.279","0.3153","","","","","","1.04","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239093","13.271","0.01","30.35","0.02","12.823","0.01","90","","121.152","0.011","90","","4420","6","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H30 F12 -","- C60 H30 F12 -","- C240 H120 F48 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.2213","0.1051","","","0.2478","0.3304","","","","","","1.035","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239094","6.6655","0.0008","21.962","0.002","32.777","0.004","90","","90","","90","","4798.2","0.9","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H23 N -","- C35 H23 N -","- C280 H184 N8 -","8","1","","Bej, Ansuman; Chakraborty, Amarnath; Sarkar, Amitabha","Solvent free, phosphine free Pd-catalyzed annulations of aryl bromides with diarylacetylenes","RSC Advances","2013","3","36","15812","","10.1039/c3ra41924j","","","0.71073","MoKα","","0.058","0.0453","","","0.1389","0.1479","","","","","","1.102","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239095","8.242","0.004","15.9","0.008","18.948","0.01","90","","90","","90","","2483","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H24 O -","- C35 H24 O -","- C140 H96 O4 -","4","1","","Bej, Ansuman; Chakraborty, Amarnath; Sarkar, Amitabha","Solvent free, phosphine free Pd-catalyzed annulations of aryl bromides with diarylacetylenes","RSC Advances","2013","3","36","15812","","10.1039/c3ra41924j","","","0.71073","MoKα","","0.0538","0.0468","","","0.1137","0.1213","","","","","","0.504","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239096","7.6535","0.0009","11.5648","0.0014","13.8466","0.0017","67.639","0.003","84.037","0.004","81.169","0.004","1118.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H30 S2 -","- C27 H30 S2 -","- C54 H60 S4 -","2","1","","Xiong, Xiaoli; Liu, Qiancai; Zhang, Jun; Zhu, Min; Wang, Yanmei; Deng, Shiming","A facile synthesis of dithieno[3,2-b:6,7-b]fluorenes via a tandem annulation–reduction","RSC Advances","2013","3","39","17707","","10.1039/c3ra41927d","","","0.71073","MoKα","","0.0492","0.0357","","","0.0908","0.1006","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239097","10.5092","0.0014","11.2202","0.0016","11.4916","0.0016","115.706","0.014","94.335","0.011","113.346","0.013","1069.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C46 H54 N2 O14 -","2","1","","Cherepanova, Maria; Kiss, Loránd; Sillanpää, Reijo; Fülöp, Ferenc","Synthesis of novel functionalized cispentacins through C–C oxidative cleavage of diendo-norbornene β-amino acid","RSC Advances","2013","3","25","9757","","10.1039/c3ra41963k","","","1.54184","CuKα","","0.0384","0.0348","","","0.0899","0.0937","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239098","9.6417","0.0006","15.1369","0.0011","16.1772","0.0011","90","","97.283","0.003","90","","2341.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(butyryloxy) methyl 2-methyl-4-(4-methylpiperazin-1-yl)-4H-benzo[b]thieno[2,3-e][1,4]diazepine-5-carboxylate","","- C23 H28 N4 O4 S -","- C23 H28 N4 O4 S -","- C92 H112 N16 O16 S4 -","4","1","","Blumberg, Laura C.; Zeidan, Tarek A.; Maddaford, Adrian; Warren, Nicole C.; Hutchison, Panee","Novel N-5-(acyloxyalkoxy)carbonyl prodrugs of olanzapine with physicochemical properties for extended-release","RSC Advances","2013","3","37","16270","","10.1039/c3ra41967c","","","1.54178","CuKα","","0.034","0.0317","","","0.0841","0.0856","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239099","14.43","0.0015","14.9488","0.0015","16.224","0.0014","90","","92.753","0.007","90","","3495.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(hexanoyloxy) methyl 2-methyl-4-(4-methylpiperazin-1-yl)-5H-benzo[b]thieno[2,3-e][1,4]diazepine-5-\ carboxylate","","- C35 H52 N4 O4 S -","- C35 H52 N4 O4 S -","- C140 H208 N16 O16 S4 -","4","1","","Blumberg, Laura C.; Zeidan, Tarek A.; Maddaford, Adrian; Warren, Nicole C.; Hutchison, Panee","Novel N-5-(acyloxyalkoxy)carbonyl prodrugs of olanzapine with physicochemical properties for extended-release","RSC Advances","2013","3","37","16270","","10.1039/c3ra41967c","","","1.54178","CuKα","","0.0472","0.037","","","0.0946","0.1007","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239100","10.5728","0.0002","14.8243","0.0003","16.8046","0.0003","90","","104.795","0.001","90","","2546.53","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(palmitoyloxy) methyl 2-methyl-4-(4-methylpiperazin-1-yl)-4H-benzo[b]thieno[2,3-e][1,4]diazepine-5-carboxylate","","- C25 H32 N4 O4 S -","- C25 H32 N4 O4 S -","- C100 H128 N16 O16 S4 -","4","1","","Blumberg, Laura C.; Zeidan, Tarek A.; Maddaford, Adrian; Warren, Nicole C.; Hutchison, Panee","Novel N-5-(acyloxyalkoxy)carbonyl prodrugs of olanzapine with physicochemical properties for extended-release","RSC Advances","2013","3","37","16270","","10.1039/c3ra41967c","","","1.54178","CuKα","","0.0744","0.0505","","","0.1325","0.1497","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239101","8.5996","0.0013","14.555","0.002","20.633","0.003","90","","90","","90","","2582.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.1025","0.0511","","","0.1391","0.1744","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239102","9.666","0.01","10.849","0.011","15.997","0.016","90","","100.738","0.019","90","","1648","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.0896","0.0566","","","0.1773","0.2063","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239103","5.2403","0.0004","16.3094","0.0012","17.842","0.0013","90","","94.921","0.001","90","","1519.3","0.2","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.0416","0.0357","","","0.1027","0.1073","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239104","11.692","0.004","11.309","0.004","17.125","0.006","90","","91.039","0.008","90","","2264","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N4 O2 -","- C25 H26 N4 O2 -","- C100 H104 N16 O8 -","4","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.1318","0.0729","","","0.2025","0.2386","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239105","8.934","0.0018","9.905","0.002","19.041","0.004","90.35","0.03","102.43","0.03","100.88","0.03","1614","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32 N P2 S2 -","- C39 H26 N P2 S2 -","- C78 H52 N2 P4 S4 -","2","1","","Garau, Alessandra; Caboni, Pierluigi; Caltagirone, Claudia; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito","A highly selective off‒on fluorescent chemodosimeter for Hg2+ based on a anthracene‒bis(phosphinesulfide) conjugate","RSC Advances","2013","3","30","12149","","10.1039/c3ra42005a","","","0.71073","MoKα","","0.0955","0.0463","","","0.0881","0.1029","","","","","","0.852","","","","has coordinates","244547","2020-10-21","18:00:00",""
"7239106","10.7619","0.0005","7.9318","0.0004","19.9964","0.001","90","","96.129","0.004","90","","1697.16","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-nitro-2-(2-nitro-phenyl)-4-phenyl-quinazoline","","","- C20 H12 N4 O4 -","- C20 H12 N4 O4 -","- C80 H48 N16 O16 -","4","1","","Panja, Sumit Kumar; Saha, Satyen","Recyclable, magnetic ionic liquid bmim[FeCl4]-catalyzed, multicomponent, solvent-free, green synthesis of quinazolines","RSC Advances","2013","3","34","14495","","10.1039/c3ra42039f","","","0.71073","MoKα","","0.0839","0.052","","","0.1095","0.1273","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239107","7.8795","0.0007","10.879","0.0008","19.733","0.002","90","","90","","90","","1691.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(6-chloro-4-phenyl-1,2-dihydroquinolin-2-yl)phenol","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C80 H60 Cl4 N8 O4 -","4","1","","Panja, Sumit Kumar; Saha, Satyen","Recyclable, magnetic ionic liquid bmim[FeCl4]-catalyzed, multicomponent, solvent-free, green synthesis of quinazolines","RSC Advances","2013","3","34","14495","","10.1039/c3ra42039f","","","0.71073","MoKα","","0.0735","0.0528","","","0.1147","0.1309","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239108","30.174","0.01","4.6629","0.0019","32.708","0.012","90","","99.186","0.014","90","","4543","3","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H73 N6 O18.5 -","- C34 H66 N6 O18.5 -","- C136 H264 N24 O74 -","4","1","","Mathiselvam, Manoharan; Loganathan, Duraikkannu; Varghese, Babu","Synthesis and characterization of thiourea- and urea-linked glycolipids as low-molecular-weight hydrogelators","RSC Advances","2013","3","34","14528","","10.1039/c3ra42041h","","","0.71073","MoKα","","0.1059","0.0689","","","0.1749","0.2031","","","","","","1.048","","","","has coordinates,has disorder","244549","2020-10-21","18:00:00",""
"7239109","14.0188","0.0002","14.596","0.0002","20.585","0.0003","90","","106.508","0.001","90","","4038.45","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H37 N5 -","- C56 H37 N5 -","- C224 H148 N20 -","4","1","","Chou, Shu-Hua; Hung, Wen-Yi; Chen, Chih-Ming; Liu, Qu-Yuan; Liu, Yi-Hung; Wong, Ken-Tsung","Manipulation of connecting topology in carbazole/benzimidazole universal bipolar host materials for RGB and White PhOLEDs","RSC Advances","2013","3","33","13891","","10.1039/c3ra42067a","","","1.54178","CuKα","","0.0782","0.0471","","","0.1188","0.1336","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239110","21.7946","0.0017","14.4951","0.0011","17.2969","0.0013","90","","93.203","0.001","90","","5455.8","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H120 F12 N12 O18 Rh4 S4 -","- C102 H120 F12 N12 O18 Rh4 S4 -","- C204 H240 F24 N24 O36 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","0.71073","MoKα","","0.0699","0.0517","","","0.1419","0.1561","","","","","","1.073","","","","has coordinates","244551","2020-10-21","18:00:00",""
"7239111","19.3744","0.0015","20.4476","0.0016","16.1066","0.0012","90","","91.537","0.001","90","","6378.5","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117 H126 F12 N12 O19 Rh4 S4 -","- C115 H113 F12 N12 O15 Rh4 S4 -","- C230 H226 F24 N24 O30 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","0.71073","MoKα","","0.0935","0.0569","","","0.1489","0.1668","","","","","","0.948","","","","has coordinates,has disorder","244551","2020-10-21","18:00:00",""
"7239112","12.9496","0.0002","23.8189","0.0004","18.5603","0.0004","90","","97.901","0.001","90","","5670.49","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 F12 N12 O14 Rh4 S4 -","- C96 H96 F12 N12 O12 Rh4 S4 -","- C192 H192 F24 N24 O24 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","1.54178","CuKα","","0.0869","0.0752","","","0.2109","0.2246","","","","","","1.079","","","","has coordinates,has disorder","244551","2020-10-21","18:00:00",""
"7239113","19.4313","0.001","20.8183","0.0011","16.1878","0.0008","90","","91.188","0.001","90","","6547","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H124 F12 N12 O14 Rh4 S4 -","- C130 H114 F12 N12 O14 Rh4 S4 -","- C260 H228 F24 N24 O28 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","0.71073","MoKα","","0.0748","0.0501","","","0.1434","0.1549","","","","","","1.056","","","","has coordinates,has disorder","244551","2020-10-21","18:00:00",""
"7239114","13.9267","0.0006","8.4827","0.0003","13.6567","0.0005","90","","103.56","0.004","90","","1568.38","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6aS,7aR,14aR)-2-nitro-6a,7,7a,12,13,14a-hexahydro-6H-chromeno[3',4':4,5] pyrrolo[2,1-a]isoquinoline","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Parmar, Narsidas J.; Pansuriya, Bhavesh R.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K.","A convenient 1,3-dipolar cycloaddition–reduction synthetic sequence from 2-allyloxy-5-nitro-salicylaldehyde to aminobenzopyran-annulated heterocycles","RSC Advances","2013","3","38","17527","","10.1039/c3ra42220h","","","0.71073","MoKα","","0.1039","0.0599","","","0.1173","0.1338","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239115","31.2908","0.0012","9.2585","0.0003","12.661","0.0005","90","","90","","90","","3668","0.2","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","","Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.","A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles","RSC Advances","2013","3","37","16756","","10.1039/c3ra42266f","","","0.71073","MoKα","","0.073","0.0434","","","0.087","0.096","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239116","9.5368","0.0002","11.2841","0.0003","16.5037","0.0005","90","","90.689","0.002","90","","1775.9","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.","A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles","RSC Advances","2013","3","37","16756","","10.1039/c3ra42266f","","","1.54178","CuKα","","0.0415","0.0392","","","0.0941","0.0957","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239117","15.6995","0.0012","10.4795","0.0009","17.7531","0.0016","90","","111.535","0.008","90","","2716.9","0.4","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(+/-)<i>N</i>-(chrysen-6-yl)-3-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-4- (thiophene-2-yl)azetidin-2-one acetone solvate","","- C34 H30 N2 O2 S -","- C34 H29 N2 O2 S -","- C136 H116 N8 O8 S4 -","4","1","","Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.","A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles","RSC Advances","2013","3","37","16756","","10.1039/c3ra42266f","","","0.71073","MoKα","","0.058","0.0436","","","0.0968","0.1044","","","","","","0.991","","","","has coordinates,has disorder","244553","2020-10-21","18:00:00",""
"7239118","8.337","0.005","8.48","0.005","12.878","0.005","99.234","0.005","106.409","0.005","93.053","0.005","857.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","","Palanisamy, Pandaram; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Kumaresan, Sudalaiandi","Synthesis, characterization, antimicrobial, anticancer, and antituberculosis activity of some new pyrazole, isoxazole, pyrimidine and benzodiazepine derivatives containing thiochromeno and benzothiepino moieties","RSC Advances","2013","3","42","19300","","10.1039/c3ra42283f","","","0.71073","MoKα","","0.0492","0.039","","","0.1052","0.1128","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239119","16.8526","0.0002","9.0052","0.0001","27.1364","0.0004","90","","125.282","0.001","90","","3361.8","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C152 H128 N16 O16 S8 -","8","2","","Palanisamy, Pandaram; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Kumaresan, Sudalaiandi","Synthesis, characterization, antimicrobial, anticancer, and antituberculosis activity of some new pyrazole, isoxazole, pyrimidine and benzodiazepine derivatives containing thiochromeno and benzothiepino moieties","RSC Advances","2013","3","42","19300","","10.1039/c3ra42283f","","","0.71073","MoKα","","0.0629","0.0394","","","0.0928","0.1049","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239120","19.7959","0.0019","19.7959","0.0019","11.155","0.002","90","","90","","90","","4371.4","1","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","CPWWSS","","","- C25 H22 N4 O2 -","- C25 H22 N4 O2 -","- C200 H176 N32 O16 -","8","2","","Barman, Apurba Kr.; Verma, Sandeep","Solid state structures and solution phase self-assembly of clicked mannosylated diketopiperazines","RSC Advances","2013","3","34","14691","","10.1039/c3ra42310g","","","0.71073","MoKα","","0.0745","0.0553","","","0.1149","0.1237","","","","","","1.001","","","","has coordinates","244555","2020-10-21","18:00:00",""
"7239121","8.505","0.002","14.137","0.001","24.601","0.003","90","","90","","90","","2957.9","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CMPWWSSR","","","- C32 H33 N7 O9 -","- C32 H33 N7 O9 -","- C128 H132 N28 O36 -","4","1","","Barman, Apurba Kr.; Verma, Sandeep","Solid state structures and solution phase self-assembly of clicked mannosylated diketopiperazines","RSC Advances","2013","3","34","14691","","10.1039/c3ra42310g","","","0.71073","MoKα","","0.0891","0.0638","","","0.1573","0.1822","","","","","","1.086","","","","has coordinates","244555","2020-10-21","18:00:00",""
"7239122","10.752","0.004","11.307","0.004","14.521","0.005","90","","111.549","0.014","90","","1642","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","1","","Paul, Sanjay; Ghosh, Sirshendu; Bhattacharyya, Pranabes; Das, Asish R.","Synthesis of a SO3H-bearing carbonaceous solid catalyst, PEG–SAC: application for the easy access to a diversified library of pyran derivatives","RSC Advances","2013","3","34","14254","","10.1039/c3ra42352b","","","0.71073","MoKα","","0.0649","0.0434","","","0.1189","0.1346","","","","","","0.848","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239123","15.2706","0.0019","11.075","0.0013","11.6658","0.0014","90","","122.294","0.003","90","","1667.8","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 O5 -","- C8 H8 O5 -","- C64 H64 O40 -","8","1","","Thiyagarajan, Shanmugam; Pukin, Aliaksei; van Haveren, Jacco; Lutz, Martin; van Es, Daan S.","Concurrent formation of furan-2,5- and furan-2,4-dicarboxylic acid: unexpected aspects of the Henkel reaction","RSC Adv.","2013","3","36","15678","","10.1039/C3RA42457J","","","0.71073","MoKα","","0.0516","0.0411","","","0.1096","0.12","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239124","21.4954","0.0013","21.4954","0.0013","21.4954","0.0013","90","","90","","90","","9932","1","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C25 H104 N24 Ni5 O73 P2 W19 -","- C25 H96 N24 Ni5 O73 P2 W19 -","- C100 H384 N96 Ni20 O292 P8 W76 -","4","0.333333","","Liu, Zhu-Jun; Yao, Shuang; Zhang, Zhi-Ming; Wang, En-Bo","A polyoxometalate-based ionic crystal assembly from a heterometallic cluster and polyoxoanions with visible-light catalytic activity","RSC Advances","2013","3","43","20829","","10.1039/c3ra42594k","","","0.71073","MoKα","","0.0508","0.0377","","","0.0882","0.0955","","","","","","1.022","","","","has coordinates","244558","2020-10-21","18:00:00",""
"7239125","45.96","0.03","14.997","0.008","34.57","0.02","90","","119.729","0.008","90","","20692","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C200 H196 N36 O40 Ti4 Zn4 -","- C200 H196 N36 O40 Ti4 Zn4 -","- C800 H784 N144 O160 Ti16 Zn16 -","4","0.5","","Metherell, A. J.; Ward, M. D.","A tetrameric hetero-octanuclear cyclic helicate formed from a bridging ligand with two inequivalent binding sites","RSC Advances","2013","3","34","14281","","10.1039/c3ra42598c","","","0.71075","MoKα","","0.1367","0.109","","","0.2759","0.3","","","","","","1.062","","","","has coordinates","244559","2020-10-21","18:00:00",""
"7239126","4.807","0.003","18.377","0.013","22.149","0.015","90","","91.68","0.03","90","","1956","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br N4 O3 -","- C22 H19 Br N4 O3 -","- C88 H76 Br4 N16 O12 -","4","1","","Metherell, A. J.; Ward, M. D.","A tetrameric hetero-octanuclear cyclic helicate formed from a bridging ligand with two inequivalent binding sites","RSC Advances","2013","3","34","14281","","10.1039/c3ra42598c","","","0.71075","MoKα","","0.1019","0.0752","","","0.189","0.214","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239127","14.0169","0.0003","16.7072","0.0003","19.0984","0.0004","90","","90","","90","","4472.52","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 N2 O8 Re2 -","- C48 H44 N2 O8 Re2 -","- C192 H176 N8 O32 Re8 -","4","1","","Sathish, Veerasamy; Babu, Eththilu; Ramdass, Arumugam; Lu, Zong-Zhan; Chang, Tzu-Ting; Velayudham, Murugesan; Thanasekaran, Pounraj; Lu, Kuang-Lieh; Li, Wen-Shan; Rajagopal, Seenivasan","Photoswitchable alkoxy-bridged binuclear rhenium(i) complexes ‒ a potential probe for biomolecules and optical cell imaging","RSC Advances","2013","3","40","18557","","10.1039/c3ra42627k","","","0.71073","MoKα","","0.0571","0.0463","","","0.1113","0.1178","","","","","","1.067","","","","has coordinates","244560","2020-10-21","18:00:00",""
"7239128","8.2594","0.0017","12.235","0.002","13.77","0.003","74.3","0.03","81.22","0.03","73.35","0.03","1279.2","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H68 N6 -","- C58 H68 N6 -","- C58 H68 N6 -","1","0.5","","Xing, Qifeng; Zhao, Tong; Qiao, Yusen; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene polymerization behavior of binuclear iron complexes bearing N,N′-bis(1-(6-(1-(arylimino)ethyl) pyridin-2-yl)ethylidene)benzidines","RSC Advances","2013","3","48","26184","","10.1039/c3ra42631a","","","0.71073","MoKα","","","0.1361","","","0.3522","0.4188","","","","","","1.152","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239129","7.108","0.0001","10.9002","0.0002","14.3071","0.0002","80.435","0.001","85.677","0.001","71.96","0.001","1039.01","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C46 H42 N10 O4 -","2","1","","Selvaraju, Manikandan; Shiu, Wei-Shuen; Kulkarni, Manohar V.; Sun, Chung-Ming","Ionic liquid supported synthesis of tricyclic pyrimido[1,2-a]benzimidazoles by a telescoped Michael/hetero annulation strategy","RSC Advances","2013","3","44","22314","","10.1039/c3ra42658k","","","0.71073","MoKα","","0.056","0.0449","","","0.1269","0.1417","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239130","14.159","0.004","14.219","0.004","15.69","0.004","83.409","0.009","64.951","0.009","65.669","0.008","2600.7","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45.33 H26.67 O2.67 S1.33 -","- C45.3333 H26.6667 O2.66667 S1.33333 -","- C136 H80 O8 S4 -","3","1.5","","Mitra, Tapobrata; Das, Joyee; Maji, Manasi; Das, Ranjita; Das, Uttam Kumar; Chattaraj, Pratim K.; Basak, Amit","A one-pot Garratt‒Braverman cyclization and Scholl oxidation route to acene‒helicene hybrids","RSC Advances","2013","3","43","19844","","10.1039/c3ra42696c","","","0.71073","MoKα","","0.4118","0.1252","","","0.2441","0.3794","","","","","","0.933","","","","has coordinates","244563","2020-10-21","18:00:00",""
"7239131","11.693","0.002","12.779","0.002","12.838","0.002","82.653","0.006","67.803","0.005","73.719","0.005","1704.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N0 O2 S -","- C22 H16 O2 S -","- C88 H64 O8 S4 -","4","2","","Mitra, Tapobrata; Das, Joyee; Maji, Manasi; Das, Ranjita; Das, Uttam Kumar; Chattaraj, Pratim K.; Basak, Amit","A one-pot Garratt‒Braverman cyclization and Scholl oxidation route to acene‒helicene hybrids","RSC Advances","2013","3","43","19844","","10.1039/c3ra42696c","","","0.71073","MoKα","","0.1374","0.0729","","","0.1641","0.199","","","","","","1.014","","","","has coordinates","244563","2020-10-21","18:00:00",""
"7239132","17.7927","0.0014","11.1432","0.0009","18.4952","0.0015","90","","102.033","0.002","90","","3586.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 N2 O8 S -","- C39 H38 N2 O8 S -","- C156 H152 N8 O32 S4 -","4","2","","Huang, You-ming; Zheng, Chang-wu; Zhao, Gang","Organocatalyzed aza-Michael–Michael cascade reactions to construct spirooxindole tetrahydroquinolines with all-carbon chiral centers","RSC Advances","2013","3","38","16999","","10.1039/c3ra42783h","","","0.71073","MoKα","","0.076","0.0572","","","0.1375","0.1512","","","","","","1.019","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239133","7.3183","0.0005","12.5581","0.0009","27.197","0.002","90","","90","","90","","2499.5","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","maleimide","1-phenyl-3-(phenylamino)-1H-pyrrole-2,5-dione","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","2","","Boominathan, Muthusamy; Sathish, Veerasamy; Nagaraj, Muthupandi; Bhuvanesh, Nattamai; Muthusubramanian, Shanmugam; Rajagopal, Seenivasan","Aggregation induced emission characteristics of maleimide derivatives","RSC Advances","2013","3","44","22246","","10.1039/c3ra42809e","","","1.54178","CuKα","","0.0663","0.0538","","","0.1386","0.1456","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239134","7.487","0.0015","16.276","0.003","11.153","0.002","90","","90.01","0.03","90","","1359.1","0.4","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C62 H100 O8 -","2","1","","Kacharov, Alexey D.; Yemets, Sergiy V.; Nemykin, Victor N.; Kacharova, Liliya M.; Fokin, Andrey A.; Krasutsky, Pavel A.","Stereoselectivity of A-ring contraction for 3-oxotriterpenoids","RSC Advances","2013","3","41","19057","","10.1039/c3ra42929f","","","0.71073","MoKα","","0.0923","0.0797","","0.1995","0.1774","0.1995","","","","","","0.9688","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239135","27.5725","0.0017","12.5357","0.0008","17.3474","0.0011","90","","126.062","0.001","90","","4847","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N6 O2 -","- C27 H26 N6 O2 -","- C216 H208 N48 O16 -","8","1","","Tang, Lijun; Cai, Mingjun; Zhou, Pei; Zhao, Jia; Zhong, Keli; Hou, Shuhua; Bian, Yanjiang","A highly selective and ratiometric fluorescent sensor for relay recognition of zinc(ii) and sulfide ions based on modulation of excited-state intramolecular proton transfer","RSC Advances","2013","3","37","16802","","10.1039/c3ra42931h","","","0.71073","MoKα","","0.0682","0.0437","","","0.1084","0.1232","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239136","12.297","0.005","17.946","0.005","10.559","0.005","100.61","0.005","102.44","0.005","105.11","0.005","2124.3","1.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C88 H128 O16 -","- C88 H128 O16 -","- C88 H128 O16 -","1","1","","Ghirga, Francesca; D'Acquarica, Ilaria; Monache, Giuliano Delle; Toscano, Sara; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; Crocco, Domenico; Antiochia, Riccarda; Botta, Bruno","Undecenyl resorc[4]arene in the chair conformation as preorganized synthon for olefin metathesis","RSC Advances","2013","3","38","17567","","10.1039/c3ra42943a","","","1.54178","CuKα","","0.134","0.0639","","","0.143","0.1667","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239137","8.1484","0.0011","18.284","0.002","15.475","0.002","90","","90","","90","","2305.5","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H29 Br2 N7 Pd -","- C17 H29 Br2 N7 Pd -","- C68 H116 Br8 N28 Pd4 -","4","0.5","","Chen, Qian; Lv, Lanlan; Yu, Meng; Shi, Yanhui; Li, Yuling; Pang, Guangsheng; Cao, Changsheng","Simple, efficient and reusable Pd‒NHC catalysts for hydroamination","RSC Advances","2013","3","40","18359","","10.1039/c3ra42990c","","","0.71073","MoKα","","0.0497","0.0421","","","0.1361","0.1536","","","","","","1.025","","","","has coordinates,has disorder","244569","2020-10-21","18:00:00",""
"7239138","16.0644","0.0018","9.4857","0.0011","13.3115","0.0016","90","","100.765","0.003","90","","1992.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Br2 N6 Pd -","- C14 H24 Br2 N6 Pd -","- C56 H96 Br8 N24 Pd4 -","4","1","","Chen, Qian; Lv, Lanlan; Yu, Meng; Shi, Yanhui; Li, Yuling; Pang, Guangsheng; Cao, Changsheng","Simple, efficient and reusable Pd‒NHC catalysts for hydroamination","RSC Advances","2013","3","40","18359","","10.1039/c3ra42990c","","","0.71073","MoKα","","0.1493","0.1349","","","0.3353","0.3444","","","","","","1.245","","","","has coordinates","244569","2020-10-21","18:00:00",""
"7239139","7.874","","12","","14.805","","90","","94.7","","90","","1394.19","","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 O2 P2 -","- C38 H28 O2 P2 -","- C76 H56 O4 P4 -","2","0.5","","Zhao, Yan; Duan, Lian; Zhang, Xiao; Zhang, Deqiang; Qiao, Juan; Dong, Guifang; Wang, Liduo; Qiu, Yong","White light emission from an exciplex based on a phosphine oxide type electron transport compound in a bilayer device structure","RSC Advances","2013","3","44","21453","","10.1039/c3ra43017k","","","0.71073","MoKα","","0.0429","0.0414","","","0.0977","0.0988","","","","","","1.111","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239140","22.834","0.007","8.194","0.003","13.429","0.004","90","","98.048","0.008","90","","2487.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 Br N2 O2 -","- C22 H41 Br N2 O2 -","- C88 H164 Br4 N8 O8 -","4","1","","Tseng, Jing C. W.; Rondla, Rohini; Su, Padi Y. S.; Lin, Ivan J. B.","The roles of betaine-ester analogues of 1-N-alkyl-3-N′-methyl imidazolium salts: as amphotropic ionic liquid crystals and organogelators","RSC Advances","2013","3","47","25151","","10.1039/c3ra43067g","","","0.71073","MoKα","","0.1492","0.0476","","","0.1041","0.1508","","","","","","0.889","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239141","8.4947","0.0007","9.0566","0.0007","32.905","0.003","82.735","0.004","88.304","0.004","88.047","0.004","2508.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H41 B F4 N2 O2 -","- C22 H41 B F4 N2 O2 -","- C88 H164 B4 F16 N8 O8 -","4","2","","Tseng, Jing C. W.; Rondla, Rohini; Su, Padi Y. S.; Lin, Ivan J. B.","The roles of betaine-ester analogues of 1-N-alkyl-3-N′-methyl imidazolium salts: as amphotropic ionic liquid crystals and organogelators","RSC Advances","2013","3","47","25151","","10.1039/c3ra43067g","","","0.71073","MoKα","","0.1447","0.0748","","","0.143","0.1705","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239142","15.87","0.003","15.196","0.003","6.029","0.0012","90","","90.95","0.03","90","","1453.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I N3 O -","- C15 H12 I N3 O -","- C60 H48 I4 N12 O4 -","4","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.0941","0.0628","","","0.1537","0.1704","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239143","14.964","0.003","7.602","0.0015","16.564","0.003","90","","103.44","0.03","90","","1832.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 I N3 O2 -","- C19 H18 I N3 O2 -","- C76 H72 I4 N12 O8 -","4","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.0939","0.0634","","","0.1521","0.169","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239144","10.665","0.002","11.535","0.002","18.711","0.004","89.19","0.03","82.8","0.03","64.4","0.03","2057.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 I2 N6 O4 -","- C44 H36 I2 N6 O4 -","- C88 H72 I4 N12 O8 -","2","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.0946","0.0585","","","0.1529","0.1735","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239145","8.372","0.0017","16.816","0.003","15.35","0.003","90","","94.16","0.03","90","","2155.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 I N3 O Si -","- C20 H22 I N3 O Si -","- C80 H88 I4 N12 O4 Si4 -","4","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.1245","0.0597","","","0.1102","0.1284","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239146","15.961","0.002","12.6449","0.0016","7.1365","0.0009","90","","94.32","0.002","90","","1436.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Fe N3 O2 -","- C17 H13 Fe N3 O2 -","- C68 H52 Fe4 N12 O8 -","4","1","","Zhao, Haiying; Guo, Le; Chen, Shufeng; Bian, Zhanxi","Synthesis, complexation of 1,2,3-(NH)-triazolylferrocene derivatives and their catalytic effect on thermal decomposition of ammonium perchlorate","RSC Advances","2013","3","43","19929","","10.1039/c3ra43117g","","","0.71073","MoKα","","0.0386","0.0311","","","0.1067","0.1147","","","","","","0.914","","","","has coordinates","244573","2020-10-21","18:00:00",""
"7239147","11.6361","0.0004","6.8244","0.0002","12.1675","0.0005","90","","103.755","0.004","90","","938.5","0.06","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Gd N6 O14 -","- C8 H12 Cl Cu2 Gd N6 O14 -","- C16 H24 Cl2 Cu4 Gd2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0282","0.0265","","","0.0598","0.0606","","","","","","1.122","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239148","11.6342","0.0004","6.8158","0.0003","12.1505","0.0004","90","","103.834","0.004","90","","935.54","0.06","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 N6 O14 Tb -","- C8 H8 Cl Cu2 N6 O14 Tb -","- C16 H16 Cl2 Cu4 N12 O28 Tb2 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.1036","0.0936","","","0.257","0.2699","","","","","","1.102","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239149","11.55","0.002","6.7557","0.0015","12.137","0.003","90","","103.35","0.03","90","","921.4","0.4","128","2","128","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Dy N6 O14 -","- C8 H12 Cl Cu2 Dy N6 O14 -","- C16 H24 Cl2 Cu4 Dy2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0873","0.076","","","0.1603","0.169","","","","","","1.06","","","","has coordinates,has disorder","244574","2020-10-21","18:00:00",""
"7239150","11.5691","0.0017","6.7563","0.0009","12.088","0.002","90","","103.437","0.015","90","","919","0.2","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Ho N6 O14 -","- C8 H12 Cl Cu2 Ho N6 O14 -","- C16 H24 Cl2 Cu4 Ho2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0483","0.046","","","0.0971","0.0985","","","","","","1.165","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239151","11.5842","0.001","6.772","0.0006","12.0905","0.0015","90","","103.604","0.011","90","","921.87","0.17","128.7","0.14","128.7","0.14","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Er N6 O14 -","- C8 H8 Cl Cu2 Er N6 O14 -","- C16 H16 Cl2 Cu4 Er2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0638","0.0624","","","0.1384","0.1392","","","","","","1.208","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239156","8.8776","0.0018","8.9196","0.0018","9.984","0.002","98.89","0.03","108.72","0.03","110.34","0.03","669.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co3 N2 O20 P4 -","- C16 H20 Co3 N2 O20 P4 -","- C16 H20 Co3 N2 O20 P4 -","1","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0872","0.0586","","","0.0966","0.1042","","","","","","1.096","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239157","5.4294","0.0011","15.982","0.003","12.892","0.003","90","","98.23","0.03","90","","1107.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Co N O8 P2 -","- C7 H11 Co N O8 P2 -","- C28 H44 Co4 N4 O32 P8 -","4","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0721","0.0496","","","0.0854","0.0921","","","","","","1.057","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239158","7.2146","0.0014","9.358","0.0019","11.945","0.002","93.03","0.03","107.48","0.03","110.72","0.03","707.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Co N O11 P2 -","- C8 H14 Co N O11 P2 -","- C16 H28 Co2 N2 O22 P4 -","2","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0872","0.0547","","","0.1287","0.1566","","","","","","1.088","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239159","7.7416","0.0015","9.2139","0.0018","15.336","0.003","90","","95.96","0.03","90","","1088","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu N2 O14 P4 -","- C14 H20 Cu N2 O14 P4 -","- C28 H40 Cu2 N4 O28 P8 -","2","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0609","0.0451","","","0.0936","0.099","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239160","8.6015","0.0017","8.9334","0.0018","9.6326","0.0019","109.44","0.03","99.01","0.03","110.06","0.03","624.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cu3 N2 O18 P4 -","- C16 H18 Cu3 N2 O18 P4 -","- C16 H18 Cu3 N2 O18 P4 -","1","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0641","0.0448","","","0.0963","0.1042","","","","","","1.001","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239161","5.5056","0.0011","9.82","0.002","9.839","0.002","94.13","0.03","103.16","0.03","102.49","0.03","501.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H9 Cu N O7 P2 -","- C7 H9 Cu N O7 P2 -","- C14 H18 Cu2 N2 O14 P4 -","2","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.1027","0.0698","","","0.1361","0.1455","","","","","","1.12","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239162","5.5564","0.0011","9.887","0.002","10.489","0.002","71.93","0.03","88.77","0.03","78.8","0.03","536.9","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cu4 N2 O14 P4 -","- C14 H15 Cu4 N2 O14 P4 -","- C14 H15 Cu4 N2 O14 P4 -","1","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.1042","0.0629","","","0.1189","0.1319","","","","","","1.047","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239163","5.5529","0.0011","16.196","0.003","12.86","0.003","90","","98.23","0.03","90","","1144.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Mn N O8 P2 -","- C7 H11 Mn N O8 P2 -","- C28 H44 Mn4 N4 O32 P8 -","4","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.089","0.0583","","","0.0917","0.0989","","","","","","1.082","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239164","11.5284","0.0002","15.3983","0.0003","20.2646","0.0004","90","","91.7392","0.0017","90","","3595.67","0.12","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cl2 O10 -","- C40 H34 Cl2 O10 -","- C160 H136 Cl8 O40 -","4","1","","Pan, Mingguang; Xue, Min","A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state","RSC Advances","2013","3","43","20287","","10.1039/c3ra43142h","","","1.54184","CuKα","","0.0644","0.058","","","0.1623","0.1695","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239165","12.0359","0.0003","21.1081","0.0005","14.8313","0.0004","90","","98.54","0.003","90","","3726.19","0.17","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 N3 O10 -","- C43 H35 N3 O10 -","- C172 H140 N12 O40 -","4","1","","Pan, Mingguang; Xue, Min","A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state","RSC Advances","2013","3","43","20287","","10.1039/c3ra43142h","","","1.54184","CuKα","","0.0714","0.058","","","0.1618","0.1761","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239166","10.3617","0.0004","12.5519","0.0007","17.8498","0.0009","70.793","0.005","86.489","0.004","66.809","0.004","2008.91","0.19","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H50 O12 -","- C45 H50 O12 -","- C90 H100 O24 -","2","1","","Pan, Mingguang; Xue, Min","A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state","RSC Advances","2013","3","43","20287","","10.1039/c3ra43142h","","","1.54184","CuKα","","0.0665","0.0581","","","0.1642","0.1763","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239167","12.3034","0.0004","12.4408","0.0004","12.8156","0.0004","90","","91.19","0.002","90","","1961.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Mn N2 O2 -","- C4 H5.33333 Mn0.666667 N1.33333 O4 -","- C48 H64 Mn8 N16 O48 -","12","3","","Pato-Doldán, B.; Gómez-Aguirre, L. C.; Bermúdez-García, J. M.; Sánchez-Andújar, M.; Fondado, A.; Mira, J.; Castro-García, S.; Señarís-Rodríguez, M. A.","Coexistence of magnetic and electrical order in the new perovskite-like (C3N2H5)[Mn(HCOO)3] formate","RSC Advances","2013","3","44","22404","","10.1039/c3ra43165g","","","0.71073","MoKα","","0.0668","0.0381","","","0.1042","0.1251","","","","","","0.905","","","","has coordinates","244578","2020-10-21","18:00:00",""
"7239168","12.1962","0.0003","12.3675","0.0003","12.8155","0.0003","90","","91.428","0.001","90","","1932.44","0.08","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Mn2 N4 O12 -","- C6 H8 Mn N2 O6 -","- C48 H64 Mn8 N16 O48 -","8","2","","Pato-Doldán, B.; Gómez-Aguirre, L. C.; Bermúdez-García, J. M.; Sánchez-Andújar, M.; Fondado, A.; Mira, J.; Castro-García, S.; Señarís-Rodríguez, M. A.","Coexistence of magnetic and electrical order in the new perovskite-like (C3N2H5)[Mn(HCOO)3] formate","RSC Advances","2013","3","44","22404","","10.1039/c3ra43165g","","","0.71073","MoKα","","0.045","0.0341","","","0.0873","0.0936","","","","","","1.081","","","","has coordinates","244578","2020-10-21","18:00:00",""
"7239169","7.9151","0.0013","10.1402","0.0017","10.6377","0.0017","71.748","0.01","82.952","0.009","75.932","0.01","785.5","0.2","273","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C34 H34 N2 O10 -","2","1","","Chong, Qinglei; Xin, Xiaoyi; Wang, Chunxiang; Wu, Fan; Wan, Boshun","Synthesis of functionalized 2-pyridones via Michael addition and cyclization reaction of amines, alkynes and dialkyl acetylene dicarboxylates","RSC Advances","2013","3","44","21222","","10.1039/c3ra43189d","","","0.71073","MoKα","","0.0646","0.0541","","","0.1551","0.1648","","","","","","1.098","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239170","25.61","0.003","16.1687","0.0017","22.954","0.002","90","","111.185","0.002","90","","8862.5","1.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H57 Br N4 O8 -","- C40 H57 Br N4 O8 -","- C320 H456 Br8 N32 O64 -","8","1","","Prakash, Praveen; Jijy, E.; Shimi, M.; Aparna, P. S.; Suresh, E.; Radhakrishnan, K. V.","Mild rhodium(i) catalyzed ring opening of cyclopropane appended spirotricyclic olefins through C–H activation of arylboronic acids","RSC Advances","2013","3","43","19933","","10.1039/c3ra43191f","","","0.71073","MoKα","","0.0463","0.0369","","","0.0946","0.0987","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239171","10.3294","0.0002","14.8602","0.0004","19.1562","0.0004","90","","122.631","0.001","90","","2476.3","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5,5,7a-tetramethyl-3-phenyl-5,5a,6,7,7a,15,15a,15b- octahydro-3H-pyrazolo[4'',3'':5',6']pyrano[4',3':5,6] thiochromeno[2,3-b]quinoline","","- C30 H29 N3 O S -","- C30 H29 N3 O S -","- C120 H116 N12 O4 S4 -","4","1","","Parmar, Narsidas J.; Barad, Hitesh A.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K.","A glycerol mediated domino reaction: an efficient, green synthesis of polyheterocycles incorporating a new thiochromeno[2,3-b]quinoline unit","RSC Advances","2013","3","43","20719","","10.1039/c3ra43205j","","","0.71073","MoKα","","0.0603","0.0436","","","0.0979","0.1053","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239172","11.6331","0.0008","13.7394","0.0008","31.943","0.002","90","","93.752","0.006","90","","5094.6","0.6","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H74 Al Cl6 Mg2 N O7 Si2 -","- C34 H74 Al Cl6 Mg2 N O7 Si2 -","- C136 H296 Al4 Cl24 Mg8 N4 O28 Si8 -","4","1","","Zhao-Karger, Zhirong; Zhao, Xiangyu; Fuhr, Olaf; Fichtner, Maximilian","Bisamide based non-nucleophilic electrolytes for rechargeable magnesium batteries","RSC Advances","2013","3","37","16330","","10.1039/c3ra43206h","","","0.71073","MoKα","","0.1681","0.0612","","","0.1317","0.1609","","","","","","0.859","","","","has coordinates","244582","2020-10-21","18:00:00",""
"7239173","13.0575","0.0001","13.1701","0.0002","13.9178","0.0002","75.4887","0.0006","70.9784","0.0006","81.8128","0.0007","2185.72","0.05","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Cl F6 N2 O3 Re -","- C48 H30 Cl F6 N2 O3 Re -","- C96 H60 Cl2 F12 N4 O6 Re2 -","2","1","","Redshaw, Carl; Watkins, Scott; Humphrey, Simon M.; Bulman Page, Philip C.; Ashby, Shane; Chao, Yimin; Herbert, Christopher J.; Mueller, Anja","Rhenium(i) phenanthrolines bearing electron withdrawing CF3 substituents: synthesis, characterization and biological evaluation","RSC Advances","2013","3","46","23963","","10.1039/c3ra43207f","","","0.71073","MoKα","","0.0373","0.0332","","","0.0857","0.0882","","","","","","1.051","","","","has coordinates,has disorder","244583","2020-10-21","18:00:00",""
"7239174","9.011","0.0003","10.3134","0.0005","22.7196","0.0009","90","","90","","90","","2111.42","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O3 S -","- C22 H17 Br N2 O3 S -","- C88 H68 Br4 N8 O12 S4 -","4","1","","Li, Yuan; Su, Yu-Han; Dong, De-Jun; Wu, Zhao; Tian, Shi-Kai","Chiral boron Lewis acid-catalyzed asymmetric synthesis of 4,5-dihydropyrrolo[1,2-a]quinoxalines","RSC Advances","2013","3","40","18275","","10.1039/c3ra43248c","","","0.71073","MoKα","","0.0928","0.0578","","","0.1241","0.1422","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239175","23.2721","0.0005","3.8985","0.0001","16.3943","0.0003","90","","90","","90","","1487.39","0.06","110","2","109.8","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C80 H52 N4 O12 -","4","1","","Mamane, Victor; Chamas, Zein; Aubert, Emmanuel; Fort, Yves","Ag2O mediated N-demethylation and oxidative opening of indenopyrido[2,1-a]isoindolones. Efficient access to polysubstituted 1-azafluorenones","RSC Advances","2013","3","41","19110","","10.1039/c3ra43278e","","","1.5418","CuKα","","0.0251","0.0244","","","0.0694","0.0695","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239176","11.015","0.006","17.421","0.009","29.938","0.017","90","","93.99","0.01","90","","5731","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H20 Cl Co2 N6 O19 -","- C39 H20 Cl Co2 N6 O19 -","- C156 H80 Cl4 Co8 N24 O76 -","4","1","","Zou, Yang; Li, Yuanyuan; Yu, Chaoyong; Yin, Fei; Lah, Myoung Soo","A supramoleculear self-assembled flexible open framework based on the coordination of honeycomb layers possessing octahedral and tetrahedral CoII geometries","RSC Advances","2013","3","43","19889","","10.1039/c3ra43290d","","","0.71073","MoKα","","0.2272","0.1078","","","0.281","0.3267","","","","","","0.953","","","","has coordinates","244586","2020-10-21","18:00:00",""
"7239177","12.4864","0.0007","17.5092","0.0011","10.6207","0.0005","90","","108.458","0.002","90","","2202.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 O5 -","- C24 H21 N5 O5 -","- C96 H84 N20 O20 -","4","1","","Mukherjee, Manjira; Sen, Buddhadeb; Pal, Siddhartha; Hundal, Maninder S.; Mandal, Sushil Kumar; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Pabitra","A cell permeable Cr3+ selective chemosensor and its application in living cell imaging","RSC Advances","2013","3","43","19978","","10.1039/c3ra43305f","","","0.71073","MoKα","","0.0856","0.0524","","","0.1334","0.1528","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239178","16.4482","0.0019","14.1872","0.0017","7.1744","0.0008","90","","114.241","0.002","90","","1526.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Cu2C27H31O18","","","- C27 H31 Cu2 O18 -","- C27 H31 Cu2 O18 -","- C54 H62 Cu4 O36 -","2","0.25","","Guo, Zhengang; Reddy, M. V.; Goh, Bee Min; San, Angela Koh Phei; Bao, Qiaoliang; Loh, Kian Ping","Electrochemical performance of graphene and copper oxide composites synthesized from a metal‒organic framework (Cu-MOF)","RSC Advances","2013","3","41","19051","","10.1039/c3ra43308k","","","0.71073","MoKα","","0.0453","0.0418","","","0.1248","0.1271","","","","","","1.176","","","","has coordinates,has disorder","244588","2020-10-21","18:00:00",""
"7239179","9.798","0.0013","7.8015","0.0009","20.558","0.002","90","","98.077","0.013","90","","1555.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(1-(4-Fluorophenyl)-2-methyl-4-phenyl-1H-pyrrol-3-yl) ethanone","","- C19 H16 F N O -","- C19 H16 F N O -","- C76 H64 F4 N4 O4 -","4","1","","Bharate, Jaideep B.; Sharma, Rajni; Aravinda, Subrayashastry; Gupta, Vivek K.; Singh, Baldev; Bharate, Sandip B.; Vishwakarma, Ram A.","Montmorillonite clay catalyzed synthesis of functionalized pyrroles through domino four-component coupling of amines, aldehydes, 1,3-dicarbonyl compounds and nitroalkanes","RSC Advances","2013","3","44","21736","","10.1039/c3ra43324b","","","0.71073","MoKα","","0.1052","0.051","","","0.1129","0.1476","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239180","10.883","0.0013","17.564","0.002","12.8833","0.0015","90","","110.187","0.001","90","","2311.4","0.5","273","2","273","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H38 Cl N3 O2 P2 Ru S -","- C51 H38 Cl N3 O2 P2 Ru S -","- C102 H76 Cl2 N6 O4 P4 Ru2 S2 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Huang, R.; Hornebecq, V.; Dallemer, F.; Vijaya Padma, V.; Natarajan, K.","Synthesis and structural characterization of new ruthenium(ii) complexes and investigation of their antiproliferative and metastatic effect against human lung cancer (A549) cells","RSC Advances","2013","3","43","20363","","10.1039/c3ra43335h","","","0.71073","MoKα","","0.0309","0.0295","","","0.0779","0.0794","","","","","","1.026","","","","has coordinates","244590","2020-10-21","18:00:00",""
"7239181","10.697","0.0008","19.9205","0.0015","21.2569","0.0016","93.109","0.001","94.365","0.001","90.994","0.001","4508.8","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H88 Cl2 N6 O5 P4 Ru2 S2 -","- C102 H88 Cl2 N6 O5 P4 Ru2 S2 -","- C204 H176 Cl4 N12 O10 P8 Ru4 S4 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Huang, R.; Hornebecq, V.; Dallemer, F.; Vijaya Padma, V.; Natarajan, K.","Synthesis and structural characterization of new ruthenium(ii) complexes and investigation of their antiproliferative and metastatic effect against human lung cancer (A549) cells","RSC Advances","2013","3","43","20363","","10.1039/c3ra43335h","","","0.71073","MoKα","","0.0463","0.038","","","0.1093","0.1178","","","","","","0.775","","","","has coordinates","244590","2020-10-21","18:00:00",""
"7239182","7.8847","0.0005","11.3771","0.0007","20.8098","0.0013","90","","90","","90","","1866.7","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-(dimethylamino)-5-iso-propylphenyl) dibenzo[b,d]furan-2-ol","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Chiranjeevi, Barreddi; Koyyada, Ganesh; Prabusreenivasan, S.; Kumar, Vanaja; Sujitha, Pombala; Kumar, C. Ganesh; Sridhar, B.; Shaik, Saida; Chandrasekharam, Malapaka","Iron-catalyzed aryl-aryl cross coupling route for the synthesis of 1-(2-amino)-phenyl)dibenzo[b,d]furan-2-ol derivatives and their biological evaluation","RSC Advances","2013","3","37","16475","","10.1039/c3ra43345e","","","0.71073","MoKα","","0.0329","0.0307","","","0.0821","0.0842","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239183","4.275","0.0004","19.7528","0.0015","17.138","0.002","90","","92.163","0.009","90","","1446.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C64 H52 Cl4 N8 S4 -","4","1","","Sharma, Nutan; Chundawat, Tejpal Singh; Mohapatra, Subash Chandra; Bhagat, Sunita","Solid support mediated chemo and regioselective synthesis of 3H-1,5- benzodiazepines from diversely substituted α-oxo ketene dithioacetals","RSC Advances","2013","3","37","16336","","10.1039/c3ra43347a","","","0.71073","MoKα","","0.0566","0.0457","","","0.1045","0.1102","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239184","10.788","0.002","12.438","0.003","27.874","0.006","90","","90","","90","","3740.2","1.4","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 Br Cl2 N O -","- C41 H38 Br Cl2 N O -","- C164 H152 Br4 Cl8 N4 O4 -","4","1","","Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Zhou, Peng; Zhang, Yumo; Yang, Bing; Tian, Wenjing; Zhang, Sean Xiao-An","A TPE-oxazoline molecular switch with tunable multi-emission in both solution and solid state","RSC Advances","2013","3","38","16986","","10.1039/c3ra43357a","","","0.71073","MoKα","","0.1208","0.0535","","","0.1032","0.1229","","","","","","0.945","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239185","11.086","0.007","12.646","0.009","12.71","0.007","75.39","0.02","68.94","0.02","67.74","0.02","1524.9","1.7","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N O -","- C40 H35 N O -","- C80 H70 N2 O2 -","2","1","","Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Zhou, Peng; Zhang, Yumo; Yang, Bing; Tian, Wenjing; Zhang, Sean Xiao-An","A TPE-oxazoline molecular switch with tunable multi-emission in both solution and solid state","RSC Advances","2013","3","38","16986","","10.1039/c3ra43357a","","","0.71073","MoKα","","0.1651","0.0755","","","0.2012","0.2659","","","","","","0.962","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239186","29.024","0.003","29.024","0.003","11.2581","0.0011","90","","90","","120","","8213.2","1.4","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H69 Cl6 Cu6 N21 -","- C84 H69 Cl6 Cu6 N21 -","- C252 H207 Cl18 Cu18 N63 -","3","0.166667","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.098","0.0608","","","0.168","0.2003","","","","","","1.057","","","","has coordinates,has disorder","244594","2020-10-21","18:00:00",""
"7239187","10.7383","0.0012","15.1497","0.0016","10.7339","0.0011","90","","117.971","0.001","90","","1542.2","0.3","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H32 Cl2 Cu2 N6 O2 S2 -","- C30 H32 Cl2 Cu2 N6 O2 S2 -","- C60 H64 Cl4 Cu4 N12 O4 S4 -","2","0.25","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.087","0.0634","","","0.1834","0.2086","","","","","","1.081","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239188","7.6592","0.001","14.613","0.0017","20.536","0.002","90","","93.188","0.001","90","","2294.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu I N6 -","- C26 H20 Cu I N6 -","- C104 H80 Cu4 I4 N24 -","4","1","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.0516","0.0334","","","0.0686","0.0735","","","","","","1.017","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239189","10.798","0.0011","9.0501","0.0009","15.7801","0.0015","90","","102.55","0.001","90","","1505.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 O8 Zn2 -","- C30 H24 N6 O8 Zn2 -","- C60 H48 N12 O16 Zn4 -","2","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.1579","0.0812","","","0.1825","0.2237","","","","","","0.956","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239190","11.174","0.0012","15.3189","0.0017","15.2751","0.0015","90","","93.765","0.001","90","","2609","0.5","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H44 Ag4 N24 O2 -","- C52 H44 Ag4 N24 O2 -","- C104 H88 Ag8 N48 O4 -","2","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.1478","0.0899","","","0.1994","0.2375","","","","","","1.092","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239191","12.2383","0.0011","12.2768","0.0012","14.7929","0.0016","109.411","0.002","108.631","0.002","98.71","0.001","1902.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H73 Co4 N10 O30 S4 -","- C60 H73 Co4 N10 O30 S4 -","- C60 H73 Co4 N10 O30 S4 -","1","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.1136","0.0643","","","0.1737","0.2136","","","","","","1.033","","","","has coordinates,has disorder","244594","2020-10-21","18:00:00",""
"7239192","7.0161","0.0001","7.8647","0.0001","15.6706","0.0002","79.524","0.001","78.134","0.001","67.639","0.001","777.444","0.019","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cu N6 O8 -","- C32 H38 Cu N6 O8 -","- C32 H38 Cu N6 O8 -","1","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.0347","0.0311","","","0.0816","0.0847","","","","","","1.029","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239193","5.8652","0.0012","11.593","0.002","15.295","0.003","90","","98.44","0.03","90","","1028.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd N6 S4 -","- C16 H12 Cd N6 S4 -","- C32 H24 Cd2 N12 S8 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0222","0.0206","","","0.0488","0.0495","","","","","","1.128","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239194","10.9674","0.0007","18.1011","0.0009","4.9514","0.0002","90","","90","","90","","982.96","0.09","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H15 Br2 Cd N4 S2 -","- C15 H16 Br2 Cd N4 S2 -","- C30 H32 Br4 Cd2 N8 S4 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0201","0.018","","","0.0431","0.0436","","","","","","1.049","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239195","28.015","0.002","5.9167","0.0003","21.764","0.0018","90","","113.306","0.008","90","","3313.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 Br2 Cd3 N8 S6 -","- C19 H26 Br2 Cd3 N8 S6 -","- C76 H104 Br8 Cd12 N32 S24 -","4","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0429","0.035","","","0.0823","0.0858","","","","","","1.041","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239196","9.7352","0.0004","12.262","0.0007","14.6609","0.001","90","","99.067","0.004","90","","1728.25","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cd3 N12 O0 S8 -","- C20 H26 Cd3 N12 S8 -","- C40 H52 Cd6 N24 S16 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.026","0.0232","","","0.059","0.0619","","","","","","1.122","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239197","6.3554","0.0013","17.096","0.003","10.443","0.002","90","","101.9","0.03","90","","1110.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H22 Cd N6 Se4 -","- C14 H22 Cd N6 Se4 -","- C28 H44 Cd2 N12 Se8 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0375","0.0294","","","0.0608","0.0642","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239198","24.0628","0.0016","4.7489","0.0003","19.195","0.0013","90","","102.636","0.004","90","","2140.3","0.2","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br0 Cd Cl0 N6 O2 S0 Se4 -","- C12 H14 Cd N6 O2 Se4 -","- C48 H56 Cd4 N24 O8 Se16 -","4","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0525","0.0481","","","0.1304","0.1344","","","","","","1.16","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239199","23.862","0.005","4.0296","0.0008","20.735","0.004","90","","104.48","0.03","90","","1930.4","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br6 Cd2 N2 O0 S2 -","- C10 H10 Br6 Cd2 N2 S2 -","- C40 H40 Br24 Cd8 N8 S8 -","4","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0586","0.0516","","","0.1154","0.1183","","","","","","1.061","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239200","13.2892","0.001","14.1229","0.0009","21.3956","0.0015","83.245","0.002","83.276","0.002","78.905","0.002","3894.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H46 Mn3 N13 O13 -","- C72 H46 Mn3 N13 O13 -","- C144 H92 Mn6 N26 O26 -","2","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.1122","0.0543","","","0.082","0.0912","","","","","","0.964","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239201","20.321","0.006","12.9865","0.0016","14.312","0.003","90","","99.21","0.02","90","","3728.2","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H30 N6 O17 Zn4 -","- C32 H30 N6 O17 Zn4 -","- C128 H120 N24 O68 Zn16 -","4","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.1441","0.1027","","","0.2708","0.3252","","","","","","1.07","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239202","8.5531","0.0016","8.5859","0.0016","14.526","0.003","74.229","0.003","86.484","0.003","65.613","0.003","933.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cd N3 O9 -","- C16 H19 Cd N3 O9 -","- C32 H38 Cd2 N6 O18 -","2","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.0306","0.0265","","","0.0764","0.0881","","","","","","1.085","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239203","8.4018","0.0018","17.937","0.004","19.719","0.004","90","","94.26","0.004","90","","2963.5","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu","","","- C28 H21 Cu N5 O6 -","- C28 H21 Cu N5 O6 -","- C112 H84 Cu4 N20 O24 -","4","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.0869","0.0451","","","0.0932","0.1032","","","","","","0.89","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239204","35.041","0.006","6.2652","0.0011","7.1363","0.0012","90","","92.85","0.003","90","","1564.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 F2 N3 -","- C19 H13 F2 N3 -","- C76 H52 F8 N12 -","4","0.5","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.0607","0.0471","","","0.1245","0.1442","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239205","12.053","0.0004","12.8073","0.0004","16.0081","0.0009","95.831","0.001","99.983","0.001","114.149","0.001","2179.41","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 Cl F6 N2 O4 P -","- C48 H48 Cl F6 N2 O4 P -","- C96 H96 Cl2 F12 N4 O8 P2 -","2","1","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.0524","0.042","","","0.1117","0.1235","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239206","7.166","0.0006","40.204","0.003","6.3427","0.0005","90","","90","","90","","1827.3","0.3","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","0.5","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.0926","0.0439","","","0.092","0.1147","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239207","4.7249","0.0007","6.2811","0.0009","28.965","0.004","90","","94.639","0.003","90","","856.8","0.2","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","0.5","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.181","0.1742","","","0.6124","0.6184","","","","","","3.356","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239208","29.391","0.01","8.506","0.002","15.998","0.005","90","","107.195","0.005","90","","3821","2","293.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O7 -","- C20 H18 N2 O7 -","- C160 H144 N16 O56 -","8","1","","Borah, Pallabi; Naidu, P. Seetham; Majumder, Swarup; Bhuyan, Pulak J.","An efficient one-pot three-component reaction for the synthesis of novel functionalized pyrano[3,2-c]coumarins catalyzed by Na2CO3 in aqueous medium","RSC Advances","2013","3","43","20450","","10.1039/c3ra43484b","","","0.71075","MoKα","","","0.0653","","","","0.0569","","","","","","6.408","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239209","4.2876","0.0005","19.102","0.002","23.711","0.003","90","","90","","90","","1942","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","'4-(4-ethylphenyl)-2-phenyl-3-thioxo-2,3-dihydro-1H-pyrrolo[3,4-c] quinolin-1-one'","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C100 H72 N8 O4 S4 -","4","1","","Avula, Sreenivas; Koppireddi, Satish; Komsani, Jayaram Reddy; Nanubolu, Jagadeesh Babu; Yadla, Rambabu","One-pot two-component tandem multiple transformations in the synthesis of N,4-diaryl-2,3-dihydropyrrolo[3,4-c]quinolin-1,3-diones and their 3-thioxo-analogues under neat conditions","RSC Advances","2013","3","43","20990","","10.1039/c3ra43489c","","","0.71073","MoKα","","0.0912","0.0867","","","0.1938","0.1965","","","","","","1.315","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239210","10.1432","0.0003","8.1265","0.0002","20.362","0.0006","90","","97.036","0.002","90","","1665.77","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels–Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.0959","0.055","","","0.1319","0.1551","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239211","8.2985","0.0003","28.795","0.0011","9.4916","0.0003","90","","111.617","0.002","90","","2108.55","0.13","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels–Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.1012","0.0518","","","0.1175","0.1384","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239212","8.2911","0.0006","19.77","0.0018","17.1314","0.0014","90","","96.314","0.003","90","","2791.1","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels–Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.0555","0.0376","","","0.0951","0.1083","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239213","13.2722","0.0019","5.7365","0.0006","21.383","0.003","90","","103.844","0.004","90","","1580.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels–Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.091","0.052","","","0.1178","0.1388","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239214","9.333","0.0004","9.5986","0.0004","14.6529","0.0007","107.576","0.002","92.267","0.002","90.024","0.002","1250.3","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 I O6 -","- C23.004 H20.004 I O6 -","- C46.008 H40.008 I2 O12 -","2","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.0691","0.06","","","0.1982","0.2301","","","","","","1.025","","","","has coordinates,has disorder","244601","2020-10-21","18:00:00",""
"7239215","15.458","0.0003","9.54826","0.00016","20.432","0.0004","90","","90","","90","","3015.7","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N4 O P -","- C16 H17 N4 O P -","- C128 H136 N32 O8 P8 -","8","1","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","1.5418","CuKα","","0.031","0.0308","","0.0428","0.0427","0.0425","","","","","","0.9638","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239216","15.7038","0.0003","25.3224","0.0003","13.7018","0.0002","90","","107.623","0.0018","90","","5192.93","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 F6 N4 O6 P S2 -","- C20 H23 F6 N4 O6 P S2 -","- C160 H184 F48 N32 O48 P8 S16 -","8","2","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","1.5418","CuKα","","0.0378","0.0334","","0.0356","0.0337","0.0337","","","","","","1.1819","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239217","11.3573","0.0002","12.6287","0.0003","10.6515","0.0002","90","","90","","90","","1527.72","0.05","180","","180","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H17 N4 P -","- C16 H17 N4 P -","- C64 H68 N16 P4 -","4","0.5","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","0.71073","MoKα","","0.0354","0.0325","","0.0436","0.0422","0.042","","","","","","0.9987","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239218","10.2649","0.0003","12.1611","0.0004","12.7816","0.0004","81.178","0.002","71.935","0.002","72.878","0.002","1446.29","0.08","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 F6 N5 O7 P S2 -","- C22 H26 F6 N5 O7 P S2 -","- C44 H52 F12 N10 O14 P2 S4 -","2","1","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","0.71073","MoKα","","0.0689","0.0418","","0.0612","0.0408","0.0379","","","","","","1.1243","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239221","25.957","0.006","11.995","0.003","23.968","0.005","90","","94.994","0.003","90","","7434","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N4 O2 -","- C48 H38 N4 O2 -","- C384 H304 N32 O16 -","8","1","","Xia, Guomin; Wu, Zhiwei; Yuan, Yanli; Wang, Hongming","The regioselectivity and synthetic mechanism of 1,2-benzimidazole squaraines: combined experimental and theoretical studies","RSC Advances","2013","3","39","18055","","10.1039/c3ra43608j","","","0.71073","MoKα","","0.2049","0.1005","","","0.1617","0.2009","","","","","","1.08","","","","has coordinates","244604","2020-10-21","18:00:00",""
"7239222","7.536","0.0005","8.54","0.0006","15.3432","0.0011","74.7452","0.0007","77.1894","0.0008","83.1256","0.0008","926.97","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","1","","Li, Yanqiu; Yang, Bingchuan; Sun, Yan; Wang, Huayi; Li, Huipeng; Fang, Shuai; Niu, Xiaoyi; Ma, Chen","A metal-free tandem cycloaddition strategy for the synthesis of indolizines from pyridine derivatives and γ-bromo-crotonates under mild conditions","RSC Advances","2013","3","44","21418","","10.1039/c3ra43613f","","","0.71069","MoKα","","0.0575","0.0399","","","0.0948","0.1048","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239223","13.9994","0.0006","14.0662","0.0006","15.3078","0.0007","108.714","0.004","107.27","0.004","96.152","0.003","2657.2","0.2","140","2","140","2","","","","","","","","6","P 1","P 1","1","","","","- C73 H78 F24 N7 O10 P4 -","- C73 H78 F24 N7 O10 P4 -","- C73 H78 F24 N7 O10 P4 -","1","1","","Li, Jinying; Wei, Peifa; Wu, Xiujuan; Xue, Min; Yan, Xuzhou; Zhou, Qizhong","Taco complex-templated dynamic clipping to cryptand-based [2]rotaxane- and [2]catenane-type mechanically interlocked structures","RSC Advances","2013","3","44","21289","","10.1039/c3ra43629b","","","1.54184","CuKα","","0.0783","0.0717","","","0.1983","0.2111","","","","","","1.061","","","","has coordinates","244606","2020-10-21","18:00:00",""
"7239224","26.01","0.005","6.636","0.0013","7.5136","0.0015","90","","90","","90","","1296.9","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","coanp","2-(Cyclo-octylamino)-5-nitropyridine","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Aboulfadl, Hanane; Bonin, Michel; Burgner, Matthias; Brahimi, Khadidja; Hulliger, Jürg","Molecular recognition at growing crystal faces revealed by phase sensitive second harmonic microscopy","RSC Advances","2013","3","47","25145","","10.1039/c3ra43641a","","","1.54184","CuKα","","0.0325","0.0308","","","0.0808","0.0814","","","","","","1.165","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239225","13.3194","0.0011","8.1505","0.0007","27.37","0.002","90","","103.908","0.0012","90","","2884.2","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 S2 -","- C17 H18 S2 -","- C136 H144 S16 -","8","2","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0536","0.037","","","0.0843","0.0926","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239226","6.0477","0.0007","15.1049","0.0018","9.4034","0.0011","90","","93.9707","0.0016","90","","856.94","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 S4 -","- C14 H28 S4 -","- C28 H56 S8 -","2","0.5","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0296","0.0243","","","0.0628","0.0661","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239227","8.2277","0.0008","10.2736","0.001","11.2901","0.0011","90","","103.528","0.0015","90","","927.85","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 O S2 -","- C7 H14 O S2 -","- C28 H56 O4 S8 -","4","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0412","0.0305","","","0.076","0.081","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239228","8.1567","0.0006","6.6861","0.0005","12.7905","0.001","90","","97.2784","0.0011","90","","691.93","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O S2 -","- C13 H24 O S2 -","- C26 H48 O2 S4 -","2","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0279","0.0263","","","0.0655","0.0665","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239229","8.1947","0.0005","9.7139","0.0006","19.6679","0.0011","90","","90","","90","","1565.61","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 O S2 -","- C14 H26 O S2 -","- C56 H104 O4 S8 -","4","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0274","0.0261","","","0.0707","0.0717","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239230","8.49","0.003","20.303","0.006","11.09","0.003","90","","90.152","0.005","90","","1911.6","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 O S2 -","- C20 H30 O S2 -","- C80 H120 O4 S8 -","4","2","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0973","0.0793","","","0.203","0.2225","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239231","9.7769","0.0004","12.0198","0.0005","12.1405","0.0005","97.106","0.004","97.676","0.004","103.809","0.004","1354.99","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H82 Cl4 Hg2 N2 O2 P4 -","- C48 H82 Cl4 Hg2 N2 O2 P4 -","- C48 H82 Cl4 Hg2 N2 O2 P4 -","1","0.5","","Ghalib, Mohammed; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.","Phosphanyl-substituted π-excess σ2P heterocycles: Coordination behaviour of 2-di-tert-butylphosphanyl-1-neopentyl-1,3-benzazaphosphole towards CuCl, HgCl2 and [Rh(COD)2]BF4","RSC Advances","2013","3","39","17726","","10.1039/c3ra43706j","","","0.71073","MoKα","","0.0224","0.0193","","","0.041","0.0421","","","","","","1.043","","","","has coordinates","244609","2020-10-21","18:00:00",""
"7239232","10.70896","0.00015","18.337","0.0003","14.961","0.0002","90","","91.102","0.002","90","","2937.35","0.07","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 B F3 N O P2 Rh -","- C28 H46 B F3 N O P2 Rh -","- C112 H184 B4 F12 N4 O4 P8 Rh4 -","4","1","","Ghalib, Mohammed; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.","Phosphanyl-substituted π-excess σ2P heterocycles: Coordination behaviour of 2-di-tert-butylphosphanyl-1-neopentyl-1,3-benzazaphosphole towards CuCl, HgCl2 and [Rh(COD)2]BF4","RSC Advances","2013","3","39","17726","","10.1039/c3ra43706j","","","0.71073","MoKα","","0.0389","0.0313","","","0.0737","0.078","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239233","11.9823","0.0006","8.3551","0.0004","17.551","0.0009","90","","104.948","0.002","90","","1697.63","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O2 S -","- C15 H14 N4 O2 S -","- C60 H56 N16 O8 S4 -","4","1","","Dandia, Anshu; Singh, Ruby; Joshi, Jyoti; Maheshwari, Shuchi; Soni, Pragya","Ultrasound promoted catalyst-free and selective synthesis of spiro[indole-3,4′-pyrazolo[3,4-e][1,4]thiazepines] in aqueous media and evaluation of their anti-hyperglycemic activity","RSC Advances","2013","3","41","18992","","10.1039/c3ra43745k","","","0.71073","MoKα","","0.0769","0.0735","","","0.2496","0.2592","","","","","","1.153","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239234","8.9355","0.0009","10.2534","0.0011","22.396","0.002","90","","90","","90","","2051.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","1","","Jiang, Min; Xiong, Bing; Shen, Yu-mei; Yang, Chunhao","Design, synthesis, and preliminary biological evaluation of novel ketone derivatives of shikimic acid","RSC Advances","2013","3","43","20599","","10.1039/c3ra43755h","","","0.71073","MoKα","","0.0511","0.0409","","","0.0916","0.0964","","","","","","0.985","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239235","7.3536","0.0015","7.5164","0.0015","9.6215","0.0019","74.24","0.03","78.39","0.03","78.91","0.03","495.97","0.19","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C26 H20 O6 -","2","1","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.0995","0.0558","","","0.1184","0.1416","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239236","9.4706","0.0019","26.2","0.005","11.299","0.002","90","","95.64","0.03","90","","2790","0.9","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O5 -","- C18 H14 O5 -","- C144 H112 O40 -","8","2","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.1175","0.0498","","","0.1135","0.1416","","","","","","0.95","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239237","6.8656","0.0014","12.618","0.003","13.593","0.003","90","","90","","90","","1177.6","0.5","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C64 H40 O12 -","4","1","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.0693","0.0469","","","0.1147","0.1276","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239238","7.1648","0.0014","7.7947","0.0016","8.605","0.0017","74.65","0.03","80.31","0.03","82.76","0.03","455.13","0.17","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 F O3 -","- C12 H7 F O3 -","- C24 H14 F2 O6 -","2","1","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.0687","0.0486","","","0.1293","0.1425","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239239","10.8332","0.0008","10.9777","0.0008","10.9787","0.0008","93.999","0.001","107.303","0.001","116.927","0.001","1078.87","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 N O5 P S -","- C20 H26 N O5 P S -","- C40 H52 N2 O10 P2 S2 -","2","1","","Pallikonda, Gangaram; Chakravarty, Manab","Triflic acid mediated functionalization of α-hydroxyphosphonates: route for sulfonamide phosphonates","RSC Advances","2013","3","43","20503","","10.1039/c3ra43823f","","","0.71073","MoKα","","0.0538","0.0472","","","0.129","0.1353","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239244","8.2841","0.0004","16.116","0.0008","26.3361","0.0014","90","","90","","90","","3516","0.3","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4,5-diiodo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide","","- C8 H9 F6 I2 N3 O4 S2 -","- C8 H9 F6 I2 N3 O4 S2 -","- C64 H72 F48 I16 N24 O32 S16 -","8","1","","Mukai, Tomohiro; Nishikawa, Keiko","4,5-Dihaloimidazolium-based ionic liquids: effects of halogen-bonding on crystal structures and ionic conductivity","RSC Advances","2013","3","43","19952","","10.1039/c3ra43899f","","","0.71073","MoKα","","0.0466","0.0307","","","0.0654","0.0704","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239245","9.6737","0.0005","13.8295","0.0008","13.7694","0.0008","90","","106.979","0.001","90","","1761.81","0.17","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4,5-dibromo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide","","- C8 H9 Br2 F6 N3 O4 S2 -","- C8 H9 Br2 F6 N3 O4 S2 -","- C32 H36 Br8 F24 N12 O16 S8 -","4","1","","Mukai, Tomohiro; Nishikawa, Keiko","4,5-Dihaloimidazolium-based ionic liquids: effects of halogen-bonding on crystal structures and ionic conductivity","RSC Advances","2013","3","43","19952","","10.1039/c3ra43899f","","","0.71073","MoKα","","0.0635","0.0374","","","0.0785","0.0853","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239246","7.1562","0.0013","7.2456","0.0013","11.618","0.002","82.299","0.01","89.056","0.01","70.66","0.01","563.03","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Cu N4 O14 -","- C16 H28 Cu N4 O14 -","- C16 H28 Cu N4 O14 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.048","0.043","","","0.1214","0.1244","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239247","14.0765","0.0007","9.4805","0.0003","15.3959","0.0006","90","","116.278","0.005","90","","1842.29","0.15","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cu N6 O16 -","- C28 H44 Cu N6 O16 -","- C56 H88 Cu2 N12 O32 -","2","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0687","0.0505","","","0.1402","0.1596","","","","","","0.955","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239248","6.6726","0.0004","10.795","0.001","12.0764","0.001","65.544","0.009","79.053","0.006","77.697","0.006","768.57","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cu N6 O12 -","- C32 H24 Cu N6 O12 -","- C32 H24 Cu N6 O12 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.078","0.0628","","","0.1779","0.1964","","","","","","0.922","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239249","9.0129","0.0015","12.6761","0.0017","13.0543","0.0012","113.147","0.011","90.103","0.011","105.573","0.013","1311.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu N4 O14 -","- C20 H32 Cu N4 O14 -","- C40 H64 Cu2 N8 O28 -","2","1","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.1014","0.0687","","","0.1635","0.202","","","","","","1.058","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239250","11.0057","0.0004","14.0625","0.0006","14.8817","0.0006","104.224","0.002","104.901","0.002","95.615","0.002","2125.4","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H84 Cu3 N12 O40 -","- C66 H84 Cu3 N12 O40 -","- C66 H84 Cu3 N12 O40 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0647","0.045","","","0.1162","0.1277","","","","","","0.954","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239251","7.3437","0.0002","10.6541","0.0002","15.0967","0.0003","73.928","0.001","89.572","0.001","79.771","0.001","1115.88","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cu N4 O10 -","- C19 H26 Cu N4 O10 -","- C38 H52 Cu2 N8 O20 -","2","1","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0323","0.0281","","","0.0712","0.0776","","","","","","1.021","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239252","7.3979","0.0005","14.413","0.0008","15.7932","0.0009","75.612","0.005","82.51","0.005","78.59","0.005","1593.05","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 Cu3 N12 O36 -","- C50 H50 Cu3 N12 O36 -","- C50 H50 Cu3 N12 O36 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0726","0.0504","","","0.1097","0.1281","","","","","","0.985","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239253","8.6201","0.0007","13.104","0.0007","13.3617","0.0013","107.296","0.007","108.463","0.008","97.992","0.006","1320.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu N4 O13 -","- C20 H34 Cu N4 O13 -","- C40 H68 Cu2 N8 O26 -","2","1","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0917","0.0597","","","0.162","0.2132","","","","","","0.831","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239254","11.2343","0.0001","6.0495","0.0001","11.3801","0.0001","90","","106.943","0.001","90","","739.843","0.016","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Br2 N4 S4 -","- C10 H4 Br2 N4 S4 -","- C20 H8 Br4 N8 S8 -","2","0.5","","Afjeh, Soofieh S.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","Optoelectronic and structural properties of a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","RSC Advances","2013","3","45","23438","","10.1039/c3ra44044c","","","0.71073","MoKα","","0.0534","0.0397","","","0.0774","0.0817","","","","","","1.26","","","","has coordinates","244618","2020-10-21","18:00:00",""
"7239255","5.6375","0.0005","13.6973","0.0012","15.9263","0.0014","87.35","0.004","81.484","0.003","79.921","0.003","1197.22","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 S4 -","- C22 H30 N4 S4 -","- C44 H60 N8 S8 -","2","1","","Afjeh, Soofieh S.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","Optoelectronic and structural properties of a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","RSC Advances","2013","3","45","23438","","10.1039/c3ra44044c","","","0.71073","MoKα","","0.1392","0.0546","","","0.0831","0.0966","","","","","","1.069","","","","has coordinates,has disorder","244618","2020-10-21","18:00:00",""
"7239256","11.639","0.005","13.976","0.005","20.968","0.005","90","0.005","104.729","0.005","90","0.005","3299","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N2 O4 -","- C40 H42 N2 O4 -","- C160 H168 N8 O16 -","4","1","","Mahajabeen, Pula; Chadha, Anju","A novel green route for the synthesis of N-phenylacetamides, benzimidazoles and acridinediones using Candida parapsilosis ATCC 7330","RSC Advances","2013","3","44","21972","","10.1039/c3ra44058c","","","0.71073","MoKα","","0.0668","0.0434","","","0.1162","0.1402","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239259","9.415","0.007","14.394","0.01","15.1","0.01","90","","97.725","0.013","90","","2028","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N5 O5 S -","- C20 H19 N5 O5 S -","- C80 H76 N20 O20 S4 -","4","1","","Yu, Chengbin; Lyu, Hairong; Cai, Yan; Miao, Xinyu; Miao, Zhiwei","An environmentally benign approach for the synthesis of 3,3′-pyrrolidonyl spirooxindole derivatives via a cascade Knoevenagel–Michael–cyclization multicomponent reaction","RSC Advances","2013","3","41","18857","","10.1039/c3ra44119a","","","0.71073","MoKα","","0.0944","0.0615","","","0.1126","0.1233","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239260","9.2228","0.0006","7.4537","0.0005","16.957","0.0012","90","","96.151","0.002","90","","1158.98","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O6 -","- C27 H25 N O6 -","- C54 H50 N2 O12 -","2","1","","Qiu, Lin; Guo, Xin; Zhou, Jun; Liu, Shunying; Yang, Liping; Wu, Xiang; Hu, Wenhao","A stereoselective synthesis of fully substituted tetrahydrofurans through 1,3-dipolar cycloaddition with cinnamaldehydes: an easy access to chroman derivatives","RSC Advances","2013","3","43","20065","","10.1039/c3ra44123g","","","0.71073","MoKα","","0.0282","0.0273","","","0.0722","0.0731","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239263","15.228","0.003","21.695","0.004","9.17","0.0018","90","","94.7","0.03","90","","3019.3","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 N3 -","- C33 H44 N3 -","- C132 H176 N12 -","4","1","","Wei, Liguo; Yang, Yulin; Fan, Ruiqing; Wang, Ping; Li, Liang; Yu, Jia; Yang, Bin; Cao, Wenwu","Enhance the performance of dye-sensitized solar cells by co-sensitization of 2,6-bis(iminoalkyl)pyridine and N719","RSC Advances","2013","3","48","25908","","10.1039/c3ra44194f","","","0.71073","MoKα","","0.1208","0.0607","","","0.1596","0.1845","","","","","","1.089","","","","has coordinates","244624","2020-10-21","18:00:00",""
"7239264","7.939","0.0008","12.3208","0.0013","25.998","0.003","90","","96.234","0.002","90","","2528","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N3 -","- C29 H35 N3 -","- C116 H140 N12 -","4","1","","Wei, Liguo; Yang, Yulin; Fan, Ruiqing; Wang, Ping; Li, Liang; Yu, Jia; Yang, Bin; Cao, Wenwu","Enhance the performance of dye-sensitized solar cells by co-sensitization of 2,6-bis(iminoalkyl)pyridine and N719","RSC Advances","2013","3","48","25908","","10.1039/c3ra44194f","","","0.71073","MoKα","","0.1315","0.0574","","","0.0868","0.1012","","","","","","0.947","","","","has coordinates","244624","2020-10-21","18:00:00",""
"7239270","11.6092","0.0007","9.0436","0.0005","14.338","0.0008","90","","105.713","0.003","90","","1449.08","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Co3 N2 O14 -","- C28 H30 Co3 N2 O14 -","- C56 H60 Co6 N4 O28 -","2","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Konar, Sanjit","A 2D coordination polymer based on Co3-SBU showing spin-canting ferromagnetic behaviour","RSC Advances","2013","3","47","25237","","10.1039/c3ra44331k","","","0.71073","MoKα","","0.0324","0.0299","","","0.109","0.1113","","","","","","0.951","","","","has coordinates","244628","2020-10-21","18:00:00",""
"7239271","14.4216","0.0004","14.4216","0.0004","14.764","0.0008","90","","90","","90","","3070.7","0.2","273","2","273","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C10.25 H12 Cu N O5 -","- C10.25 H12 Cu N O5 -","- C82 H96 Cu8 N8 O40 -","8","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.074","0.0488","","","0.1676","0.191","","","","","","1.06","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7239272","11.5577","0.0009","15.1458","0.0012","15.1471","0.0012","85.08","0.002","86.468","0.002","74.596","0.002","2544.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H48 Cu2 N4 O14 -","- C53 H44 Cu2 N4 O14 -","- C106 H88 Cu4 N8 O28 -","2","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.1252","0.0669","","","0.1527","0.1737","","","","","","0.918","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7239273","9.5268","0.0006","9.5268","0.0006","23.401","0.003","90","","90","","90","","2123.9","0.3","273","2","273","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C6.25 H6 Cu0.25 N O1.5 -","- C6.25 H6 Cu0.25 N O1.5 -","- C50 H48 Cu2 N8 O12 -","8","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.0624","0.0413","","","0.1038","0.1095","","","","","","0.969","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7239280","20.471","0.014","3.8634","0.0016","12.536","0.007","90","","101.42","0.07","90","","971.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","5-amino-1-(4-bromophenyl)-1H-1,2,3-triazole-4-carbonitrile","","- C9 H6 Br N5 -","- C9 H6 Br N5 -","- C36 H24 Br4 N20 -","4","1","","Singh, Harjinder; Sindhu, Jayant; Khurana, Jitender M.","Synthesis of biologically as well as industrially important 1,4,5-trisubstituted-1,2,3-triazoles using a highly efficient, green and recyclable DBU–H2O catalytic system","RSC Advances","2013","3","44","22360","","10.1039/c3ra44440f","","","0.71073","MoKα","","0.0786","0.0575","","","0.1433","0.1641","","","","","","0.973","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239281","8.746","0.014","9.852","0.015","16.48","0.03","104.013","0.015","99.76","0.015","90.639","0.015","1356","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H26 F2 O -","- C37 H26 F2 O -","- C74 H52 F4 O2 -","2","1","","He, Ting; Gao, Pin; Qiu, Yi-Feng; Yan, Xiao-Biao; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed intermolecular reaction of 2-(1-alkynyl)-2-alken-1-ones with diarylethenes to construct polysubstituted cyclopenta[c]furans through a cascade heterocyclization/[3+2] cycloaddition sequence","RSC Advances","2013","3","43","19913","","10.1039/c3ra44467h","","","0.71073","MoKα","","0.1697","0.1342","","","0.3953","0.4136","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239282","8.2658","0.0004","15.6654","0.0007","12.7267","0.0006","90","","107.505","0.002","90","","1571.63","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F N2 O2 -","- C18 H16 F N2 O2 -","- C72 H64 F4 N8 O8 -","4","1","","Sathesh, Venkatesan; Sathishkumar, Munusamy; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","A green approach for the one-pot multi-component synthesis of N-substituted γ, δ and ε-lactams involving C‒N bond formation catalyzed by FeCl3","RSC Advances","2013","3","45","23035","","10.1039/c3ra44472d","","","0.71073","MoKα","","0.0854","0.0588","","","0.1738","0.2014","","","","","","1.044","","","","has coordinates","244634","2020-10-21","18:00:00",""
"7239289","10.9071","0.0017","8.843","0.0014","19.865","0.003","90","","101.897","0.003","90","","1874.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H53 N3 O13 -","- C32 H53 N3 O13 -","- C64 H106 N6 O26 -","2","1","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.0709","0.0429","","","0.0996","0.1126","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239290","41.043","0.008","5.0993","0.001","16.334","0.003","90","","90","","90","","3418.6","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H49 N3 O10 -","- C32 H49 N3 O10 -","- C128 H196 N12 O40 -","4","1","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.0641","0.0541","","","0.1699","0.2","","","","","","1.106","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239291","9.2847","0.0014","19.642","0.003","27.419","0.004","90","","90","","90","","5000.4","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N O8.5 -","- C24 H29 N O8.5 -","- C192 H232 N8 O68 -","8","2","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.1316","0.0559","","","0.1155","0.1425","","","","","","0.958","","","","has coordinates","244638","2020-10-21","18:00:00",""
"7239299","8.4087","0.0009","17.6504","0.0018","19.4816","0.0019","90","","96.184","0.002","90","","2874.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Li, Ende; Cheng, Xingcan; Wang, Chengyu; Sun, Xia; Li, Yanzhong","Copper-catalyzed synthesis of 1,2,4-trisubstituted pyrroles via cascade reactions of aryloxy-enynes with amines","RSC Advances","2013","3","45","22872","","10.1039/c3ra44595j","","","0.71073","MoKα","","0.0585","0.046","","","0.1217","0.1312","","","","","","1.048","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7239300","5.476","0.0011","5.215","0.001","33.117","0.007","90","","94.12","0.01","90","","943.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 O5 P -","- C8 H9 O5 P -","- C32 H36 O20 P4 -","4","1","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0572","0.0334","","","0.0696","0.0771","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239301","16.6389","0.0022","7.1141","0.0012","9.104","0.0017","90","","95.46","0.01","90","","1072.8","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Ca O13 P2 -","- C16 H22 Ca O13 P2 -","- C32 H44 Ca2 O26 P4 -","2","0.5","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0961","0.0392","","","0.0586","0.0689","","","","","","1.001","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239302","5.3149","0.0011","5.7684","0.0012","16.702","0.003","92.08","0.01","90.42","0.01","93.12","0.02","510.94","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Ca O12 P2 -","- C16 H20 Ca O12 P2 -","- C16 H20 Ca O12 P2 -","1","0.5","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0592","0.0299","","","0.0583","0.0622","","","","","","1.001","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239303","4.9848","0.001","6.5942","0.0013","22.857","0.005","85.39","0.01","84.54","0.01","85.06","0.02","743.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Ca N2 O14 P2 -","- C26 H32 Ca N2 O14 P2 -","- C26 H32 Ca N2 O14 P2 -","1","0.5","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.1539","0.0795","","","0.1531","0.1689","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239304","17.908","0.004","4.7119","0.0009","17.201","0.003","90","","115.94","0.01","90","","1305.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O5 P -","- C13 H13 N O5 P -","- C52 H52 N4 O20 P4 -","4","1","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.1461","0.0495","","","0.0533","0.0589","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239305","22.995","0.005","11.763","0.002","9.298","0.0019","90","","96.14","0.01","90","","2500.6","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N O5 P -","- C13 H13 N O5 P -","- C104 H104 N8 O40 P8 -","8","1","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0473","0.0318","","","0.079","0.0913","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239308","12.8233","0.0009","16.9231","0.0015","9.0073","0.0006","90","","90","","90","","1954.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H26 N2 -","- C24 H26 N2 -","- C96 H104 N8 -","4","1","","Shelke, Ganesh M.; Rao, V. Kameshwara; Tiwari, Rakesh K.; Chhikara, Bhupender S.; Parang, Keykavous; Kumar, Anil","Bismuth triflate-catalyzed condensation of indoles with acetone","RSC Advances","2013","3","44","22346","","10.1039/c3ra44693j","","","0.71073","MoKα","","0.1091","0.0757","","","0.1575","0.2001","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239310","9.6811","0.0007","14.0805","0.0011","18.2882","0.0014","67.492","0.004","88.996","0.004","83.445","0.004","2287.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H0 N O -","- C30 H26 N O -","- C120 H104 N4 O4 -","4","2","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.137","0.0586","","","0.1536","0.2011","","","","","","0.955","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239311","8.744","0.0002","16.3482","0.0003","13.175","0.0003","90","","96.694","0.001","90","","1870.51","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N0.33 O0.33 -","- C8 H7 N0.333333 O0.333333 -","- C96 H84 N4 O4 -","12","3","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.0681","0.0451","","","0.1157","0.1287","","","","","","1.077","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239312","9.277","0.0003","9.277","0.0003","34.749","0.003","90","","90","","120","","2589.9","0.3","296","2","296","2","","","","","","","","4","P 32","P 32","145","","","","- C7.94 H6.53 N0.35 O0.18 -","- C7.94118 H6.52941 N0.352941 O0.176471 -","- C135 H111 N6 O3 -","17","5.66667","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.1998","0.0596","","","0.1175","0.1684","","","","","","0.921","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239313","39.108","0.004","8.1605","0.0008","16.4308","0.0015","90","","111.789","0.008","90","","4869.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H24 Cl N O S -","- C30.5 H24 Cl N O S -","- C244 H192 Cl8 N8 O8 S8 -","8","1","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.0767","0.0463","","","0.1272","0.1416","","","","","","1.125","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239314","15.8108","0.0005","12.3955","0.0003","17.2329","0.0004","90","","103.966","0.003","90","","3277.51","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H15 Fe3 O8 P Se2 -","- C32 H15 Fe3 O8 P Se2 -","- C128 H60 Fe12 O32 P4 Se8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.0765","0.0322","","","0.052","0.0562","","","","","","0.745","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239315","13.5732","0.0002","14.7934","0.0004","23.9691","0.0004","93.64","0.002","102.402","0.001","113.657","0.002","4244.84","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H54 Cl6 Fe9 O8 P2 Te2 -","- C86 H54 Cl6 Fe9 O8 P2 Te2 -","- C172 H108 Cl12 Fe18 O16 P4 Te4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.0481","0.0361","","","0.0979","0.1008","","","","","","1.055","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239316","13.2129","0.0004","13.5675","0.0005","16.7696","0.0004","69.22","0.003","79.805","0.002","67.923","0.003","2601.28","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H30 Fe3 O7 P2 Te2 -","- C55 H30 Fe3 O7 P2 Te2 -","- C110 H60 Fe6 O14 P4 Te4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.1484","0.0816","","","0.2286","0.33","","","","","","1.215","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239317","13.766","0.0008","34.2279","0.0015","16.4303","0.0008","90","","103.375","0.005","90","","7531.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H54 Fe9 O7 P2 Se2 -","- C79 H54 Fe9 O7 P2 Se2 -","- C316 H216 Fe36 O28 P8 Se8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.1778","0.1017","","","0.25","0.3051","","","","","","1.012","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239318","13.6063","0.0009","15.1594","0.0009","21.7386","0.0014","90","","104.529","0.007","90","","4340.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H27 Fe6 O8 P Se2 -","- C44 H27 Fe6 O8 P Se2 -","- C176 H108 Fe24 O32 P4 Se8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.0505","0.0283","","","0.0554","0.0583","","","","","","0.85","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239319","13.3152","0.001","13.5992","0.001","16.6909","0.0016","69.687","0.008","79.78","0.007","67.006","0.007","2606.1","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H30 Fe3 O7 P2 Se2 -","- C55 H30 Fe3 O7 P2 Se2 -","- C110 H60 Fe6 O14 P4 Se4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239321","4.882","0.005","28.92","0.03","9.203","0.01","90","","94.85","0.03","90","","1295","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Li, Jian; Ding, Dong; Liu, Li; Sun, Jiangtao","CuI-catalyzed cross-coupling of diazoacetamide with terminal alkynes: an approach to synthesizing substituted dienamides and 3-butynamides","RSC Advances","2013","3","44","21260","","10.1039/c3ra44801k","","","0.71073","MoKα","","0.0974","0.0466","","","0.1208","0.1553","","","","","","0.832","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239327","11.2921","0.0006","18.9103","0.0013","11.3518","0.0008","90","","96.286","0.004","90","","2409.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N6 -","- C27 H30 N6 -","- C108 H120 N24 -","4","1","","Wezenberg, Sander J.; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Ferrarini, Alberta; Spada, Gian Piero; Diederich, François","Effective cholesteric liquid crystal inducers based on axially chiral alleno-acetylenes","RSC Advances","2013","3","45","22845","","10.1039/c3ra44883e","","","0.71073","MoKα","","0.1081","0.0494","","","0.0911","0.1101","","","","","","0.985","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239328","5.8859","0.0005","27.177","0.002","18.4902","0.0014","90","","94.2","0.003","90","","2949.8","0.4","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C39 H36 -","- C39 H36 -","- C156 H144 -","4","2","","Wezenberg, Sander J.; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Ferrarini, Alberta; Spada, Gian Piero; Diederich, François","Effective cholesteric liquid crystal inducers based on axially chiral alleno-acetylenes","RSC Advances","2013","3","45","22845","","10.1039/c3ra44883e","","","0.71073","MoKα","","0.0756","0.0453","","","0.0867","0.0976","","","","","","0.996","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239331","5.6921","0.0002","13.3051","0.0005","13.9862","0.0006","64.365","0.004","80.711","0.003","86.393","0.003","942.42","0.07","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H20 Cu N O5 P2 -","- C19 H20 Cu N O5 P2 -","- C38 H40 Cu2 N2 O10 P4 -","2","1","","Taddei, Marco; Ienco, Andrea; Costantino, Ferdinando; Guerri, Annalisa","Supramolecular interactions impacting on the water stability of tubular metal–organic frameworks","RSC Advances","2013","3","48","26177","","10.1039/c3ra44910f","","x-ray","1.5418","CuKα","","0.0626","0.0365","","","0.0875","0.0983","","","","","","1.004","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7239332","5.7631","0.0003","13.0859","0.0008","13.6759","0.0007","67.345","0.005","81.812","0.005","89.757","0.005","940.64","0.1","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H20 Co N O5 P2 -","- C19 H20 Co N O5 P2 -","- C38 H40 Co2 N2 O10 P4 -","2","1","","Taddei, Marco; Ienco, Andrea; Costantino, Ferdinando; Guerri, Annalisa","Supramolecular interactions impacting on the water stability of tubular metal–organic frameworks","RSC Advances","2013","3","48","26177","","10.1039/c3ra44910f","","x-ray","0.71069","MoKα","","0.0891","0.042","","","0.0676","0.0746","","","","","","0.84","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7239333","33.046","0.0013","13.284","0.0005","22.963","0.0009","90","","116.035","0.002","90","","9057.5","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H168 Cu4 N20 O40 -","- C188 H168 Cu4 N20 O40 -","- C376 H336 Cu8 N40 O80 -","2","0.25","","Wills, Kathryn A.; Mandujano-Ramírez, Humberto J.; Merino, Gabriel; Mattia, Davide; Hewat, Tracy; Robertson, Neil; Oskam, Gerko; Jones, Matthew D.; Lewis, Simon E.; Cameron, Petra J.","Investigation of a copper(i) biquinoline complex for application in dye-sensitized solar cells","RSC Advances","2013","3","45","23361","","10.1039/c3ra44936j","","","0.71073","MoKα","","0.1063","0.07","","","0.1692","0.193","","","","","","1.072","","","","has coordinates,has disorder","244658","2020-10-21","18:00:00",""
"7239348","9.65","0.005","12.313","0.007","17.436","0.01","87.08","0.04","76.79","0.03","87.47","0.03","2013.2","1.9","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H72 Cl8 Mn4 N16 O3 -","- C73 H72 Cl8 Mn4 N16 O3 -","- C73 H72 Cl8 Mn4 N16 O3 -","1","0.5","","Gobeze, Worku A.; Brooker, Sally","Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand","RSC Advances","2013","3","46","24307","","10.1039/c3ra45091k","","","0.71073","MoKα","","0.2197","0.1191","","","0.2866","0.3486","","","","","","1.021","","","","has coordinates,has disorder","244663","2020-10-21","18:00:00",""
"7239349","11.916","0.0015","12.3755","0.0014","15.7457","0.0019","77.888","0.004","73.973","0.003","83.045","0.003","2177.1","0.5","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C78.4 H94.6 Cl8 N16 Ni4 O6.9 -","- C78.4 H94.6 Cl8 N16 Ni4 O6.9 -","- C78.4 H94.6 Cl8 N16 Ni4 O6.9 -","1","0.5","","Gobeze, Worku A.; Brooker, Sally","Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand","RSC Advances","2013","3","46","24307","","10.1039/c3ra45091k","","","0.71073","MoKα","","0.1397","0.0735","","","0.1977","0.2324","","","","","","1.063","","","","has coordinates,has disorder","244663","2020-10-21","18:00:00",""
"7239350","12.727","0.004","13.733","0.002","13.977","0.002","118.696","0.008","99.214","0.012","98.49","0.012","2042.9","0.8","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H79 Cl8 Cu4 N16 O4.5 -","- C73 H79 Cl8 Cu4 N16 O4.5 -","- C73 H79 Cl8 Cu4 N16 O4.5 -","1","0.5","","Gobeze, Worku A.; Brooker, Sally","Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand","RSC Advances","2013","3","46","24307","","10.1039/c3ra45091k","","","0.71073","MoKα","","0.0671","0.057","","","0.1667","0.1752","","","","","","1.092","","","","has coordinates,has disorder","244663","2020-10-21","18:00:00",""
"7239362","5.0932","0.0006","11.5499","0.0014","16.654","0.002","92.331","0.01","93.567","0.01","101.183","0.01","957.8","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-((4-hydroxy-3-(piperidin-1-ylmethyl)naphthalen-1-yl)diazenyl)benzonitrile","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C46 H44 N8 O2 -","2","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism – switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","1.54186","CuKα","","0.0736","0.0511","","","0.1277","0.1454","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239363","15.6608","0.0009","12.611","0.0005","11.6097","0.0007","90","","108.592","0.004","90","","2173.2","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-cyanophenylazo-4-naphthol-piperidinium perchlorate","1-((4-(2-(4-cyanophenyl)hydrazono)-1-oxo-1, 4-dihydronaphthalen-2-yl)methyl)piperidin-1-ium perchlorate","","- C23 H23 Cl N4 O5 -","- C23 H23 Cl N4 O5 -","- C92 H92 Cl4 N16 O20 -","4","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism – switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.0588","0.0368","","","0.093","0.099","","","","","","0.971","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239364","16.448","0.005","6.722","0.005","23.296","0.005","90","0.005","110.275","0.005","90","0.005","2416","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-((4-(2-(4-cyanophenyl)hydrazono)-1-oxo-1,4 -dihydronaphthalen-2-yl)methyl)piperidin-1-ium hydrogensulfate methanol solvate","","- C24 H28 N4 O6 S -","- C24 H28 N4 O6 S -","- C96 H112 N16 O24 S4 -","4","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism – switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.1405","0.0637","","","0.1436","0.1708","","","","","","0.872","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239365","5.2175","0.0007","10.7215","0.0016","17.295","0.003","82.197","0.012","81.572","0.012","89.056","0.012","948.2","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-((4-nitrophenyl)diazenyl)-2-(piperidin-1-ylmethyl)naphthalen-1-ol","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C44 H44 N8 O6 -","2","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism – switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.1476","0.0605","","","0.153","0.1832","","","","","","0.842","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239366","15.4219","0.0007","12.5442","0.0005","11.5782","0.0005","90","","107.116","0.003","90","","2140.66","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-nitrophenylazo-4-naphthol-piperidinium perchlorate","(Z)-1-((4-(2-(4-nitrophenyl)hydrazono)-1-oxo-1, 4-dihydronaphthalen-2-yl)methyl)piperidin-1-ium perchlorate","","- C22 H23 Cl N4 O7 -","- C22 H23 Cl N4 O7 -","- C88 H92 Cl4 N16 O28 -","4","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism – switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.0661","0.0541","","","0.1602","0.1671","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239367","7.498","0.005","21.404","0.005","13.732","0.005","90","","91.611","0.005","90","","2202.9","1.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-((4-(2-(4-nitrophenyl)hydrazono)-1-oxo-1,4-dihydronaphthalen-2-yl) methyl)piperidin-1-ium hydrogensulfate'","","- C22 H24 N4 O7 S -","- C22 H24 N4 O7 S -","- C88 H96 N16 O28 S4 -","4","2","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism – switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.082","0.0493","","","0.1189","0.1325","","","","","","0.915","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239368","6.9584","0.0006","12.8269","0.0011","13.1334","0.0011","76.183","0.007","85.273","0.007","86.982","0.007","1133.77","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","'diaqua 1-((4-(2-(4-nitrophenyl)hydrazono)-1-oxo-1,4-dihydronaphthalen-2-yl) methyl)piperidin-1-ium chloride'","","- C22 H27 Cl N4 O5 -","- C22 H27 Cl N4 O5 -","- C44 H54 Cl2 N8 O10 -","2","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism – switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.0618","0.0362","","","0.0859","0.0927","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239395","7.2917","0.0015","10.673","0.002","15.371","0.003","81.46","0.004","87.501","0.004","82.96","0.004","1173.7","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O8 -","- C27 H24 N2 O8 -","- C54 H48 N4 O16 -","2","1","","Wu, Tao; Zhang, Xiao-Peng; You, Xiao-Zeng","Stereo-chemical analysis of racemization of a chiral bipyridine","RSC Advances","2013","3","48","26047","","10.1039/c3ra45645e","","","0.71073","MoKα","","0.0864","0.0766","","","0.1765","0.18","","","","","","1.222","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239408","39.423","0.0014","11.962","0.0004","18.996","0.0004","90","","106.61","0.002","90","","8584.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C464 H352 N16 O16 -","8","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0577","0.0391","","","0.0919","0.1008","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239409","16.6293","0.0005","11.5306","0.0002","22.3729","0.0006","90","","95.23","0.001","90","","4272.05","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C232 H176 N8 O8 -","4","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0797","0.0441","","","0.1053","0.1193","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239410","9.9365","0.0006","20.7883","0.0013","18.8462","0.0013","90","","100.617","0.002","90","","3826.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H37 N O2 -","- C52 H37 N O2 -","- C208 H148 N4 O8 -","4","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0806","0.0463","","","0.1006","0.1154","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:36",""
"7239411","9.8747","0.0008","20.9315","0.0016","18.7773","0.0014","90","","99.001","0.002","90","","3833.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H37 N O2 -","- C52 H37 N O2 -","- C208 H148 N4 O8 -","4","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0949","0.05","","","0.1081","0.1265","","","","","","1.013","","","","has coordinates,has disorder","301866","2025-08-22","21:38:36",""
"7239414","21.155","0.005","28.507","0.005","27.46","0.005","90","0.005","90","0.005","90","0.005","16560","6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C144 H104 Cu8 Mo16 N40 O55 -","- C144 H104 Cu8 Mo16 N40 O55 -","- C576 H416 Cu32 Mo64 N160 O220 -","4","1","","Zhou, Shi; Liu, Bo; Chen, Ya-Guang; Li, Xiao-Min; Wang, Dong-Xiao","A hybrid compound based on octamolybdates and a rigid multidentate ligand: synthesis, structure and characterization","RSC Advances","2013","3","47","24910","","10.1039/c3ra45917a","","","0.71073","MoKα","","0.1085","0.0551","","","0.0895","0.1094","","","","","","0.983","","","","has coordinates","244691","2020-10-21","18:00:00",""
"7239418","14.2101","0.0006","7.1147","0.0002","15.2952","0.0007","90","","114.959","0.005","90","","1401.94","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Akula, Ramulu; Ibrahim, Hasim","Tosyl cyanide as a C-sulfinylating agent: 3-sulfinylation of 4-hydroxycoumarins and related heterocycles","RSC Advances","2013","3","48","25719","","10.1039/c3ra45987j","","","1.54184","CuKα","","0.0305","0.0302","","","0.082","0.0824","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:36",""
"8000225","8.109","","9.491","","12.28","","83.22","","70.71","","69.65","","836.359","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)5 (La (S O4)4)","","- H20 La N5 O16 S4 -","- La N5 O16 S4 -","- La2 N10 O32 S8 -","2","1","","Niinisto, L.; Toivonen, J.; Valkonen, J.","The crystal structure of ammonium tetrasulfatolanthanate(III) (N H4)5 (La (S O4)4). An example of decacoordinated lanthanum","Finnish Chemical Letters","1980","3","","87","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103436","12.123","","13.42","","10.783","","104.36","","97.45","","108.03","","1574.93","","","","","","","","","","","","","2","P 1","P 1","1","","Au1.89 Te2.95","","- Au1.89083 Te3.03167 -","- Au1.89083 Te3.03167 -","- Au22.69 Te36.38 -","12","12","","Edenharter, A.; Bente, K.; Steins, M.","Strukturuntersuchungen an Montbrayit, Au2 Te3","Zeitschrift fuer Kristallographie, Supplement Issue","1991","3","","63","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9005067","15.835","","17.324","","13.724","","90","","90","","90","","3764.84","","","","","","","","","","","","","5","B m m b","-B 2b 2","63","","","Phosphuranylite","- Ca H26.34 O46 P4 U7 -","- Ca H28 O46 P4 U7 -","- Ca4 H112 O184 P16 U28 -","4","0.25","","Piret, P.; Piret-Meunier J","Composition chimique et structure cristalline de la phosphuranylite Ca(UO2)[(UO2)3(OH)2(PO4)2]2.12H2O","European Journal of Mineralogy","1991","3","","69","77","10.1127/ejm/3/1/0069","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005068","9.84","","18.042","","5.276","","90","","104.76","","90","","905.757","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Tremolite","- Ca2 Fe0.05 H2 Mg4.95 O24 Si8 -","- Ca2 Fe0.05 H2 Mg4.95 O24 Si8 -","- Ca4 Fe0.1 H4 Mg9.9 O48 Si16 -","2","0.25","","Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F.","Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at ambient conditions (.001 kbar)","European Journal of Mineralogy","1991","3","","485","499","10.1127/ejm/3/3/0485","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005069","9.64","","17.89","","5.228","","90","","105.1","","90","","870.488","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Tremolite","- Ca2 Fe0.05 H2 Mg4.95 O24 Si8 -","- Ca2 Fe0.05 H2 Mg4.95 O24 Si8 -","- Ca4 Fe0.1 H4 Mg9.9 O48 Si16 -","2","0.25","","Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F.","Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 35 kbar","European Journal of Mineralogy","1991","3","","485","499","10.1127/ejm/3/3/0485","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005070","9.531","","17.759","","5.303","","90","","103.59","","90","","872.461","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Glaucophane","- Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 -","- Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 -","- Al3.2 Fe2.84 H4 Li0.04 Mg3.96 Na3.96 O48 Si16 -","2","0.25","","Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F.","Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at ambient conditions (.001 kbar)","European Journal of Mineralogy","1991","3","","485","499","10.1127/ejm/3/3/0485","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005071","9.422","","17.662","","5.274","","90","","103.9","","90","","851.953","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Glaucophane","- Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 -","- Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 -","- Al3.2 Fe2.84 H4 Li0.04 Mg3.96 Na3.96 O48 Si16 -","2","0.25","","Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F.","Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 20 kbar","European Journal of Mineralogy","1991","3","","485","499","10.1127/ejm/3/3/0485","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005072","9.349","","17.61","","5.257","","90","","103.9","","90","","840.146","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Glaucophane","- Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 -","- Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 -","- Al3.2 Fe2.84 H4 Li0.04 Mg3.96 Na3.96 O48 Si16 -","2","0.25","","Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F.","Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 37 kbar","European Journal of Mineralogy","1991","3","","485","499","10.1127/ejm/3/3/0485","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005073","9.881","","17.998","","5.284","","90","","105.25","","90","","906.608","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.68 Ca1.98 Cr0.18 Fe0.21 H2 K0.02 Mg4.26 Na0.74 O24 Si6.62 Ti0.07 -","- Al1.68 Ca1.98 Cr0.18 Fe0.21 H2 K0.02 Mg4.26 Na0.74 O24 Si6.62 Ti0.07 -","- Al3.36 Ca3.96 Cr0.36 Fe0.42 H4 K0.04 Mg8.52 Na1.48 O48 Si13.24 Ti0.14 -","2","0.25","","Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F.","Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at ambient conditions (.001 kbar)","European Journal of Mineralogy","1991","3","","485","499","10.1127/ejm/3/3/0485","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005074","9.733","","17.828","","5.24","","90","","105.6","","90","","875.75","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.68 Ca0.198 Cr0.18 Fe0.21 H2 K0.02 Mg4.26 Na0.74 O24 Si6.62 Ti0.07 -","- Al1.68 Ca0.198 Cr0.18 Fe0.21 H2 K0.02 Mg4.26 Na0.74 O24 Si6.62 Ti0.07 -","- Al3.36 Ca0.396 Cr0.36 Fe0.42 H4 K0.04 Mg8.52 Na1.48 O48 Si13.24 Ti0.14 -","2","0.25","","Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F.","Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 35 kbar","European Journal of Mineralogy","1991","3","","485","499","10.1127/ejm/3/3/0485","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005075","9.468","","9.468","","18.862","","90","","90","","90","","1690.85","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","Neltnerite","- Ca0.95 Mn6.05 O12 Si -","- Ca0.95 Mn6.05 O12 Si -","- Ca7.6 Mn48.4 O96 Si8 -","8","0.25","","de Villiers, J. P. R.; Dobson, S. M.; Buseck, P. R.","Refinement of the crystal structure of neltnerite, a member of the bixbyite-braunite group of minerals","European Journal of Mineralogy","1991","3","","567","573","10.1127/ejm/3/3/0567","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005076","8.8163","","13.5536","","7.4577","","90","","115.898","","90","","801.645","","","","","","","","","","synthesized at 600 deg C","","","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Ge3 K O8 -","- Al Ge3 K O8 -","- Al4 Ge12 K4 O32 -","4","0.5","","Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H.","Order and anti-order in Ge-substituted alkali feldspars Sample: K[AlGe3O8] synthesized at 600 deg C","European Journal of Mineralogy","1991","3","","739","749","10.1127/ejm/3/5/0739","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005077","8.411","","13.291","","7.342","","94.38","","116.28","","90.87","","732.681","","","","","","","","","","synthesized at 980 deg C","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Albite","- Al0.25 Ge0.75 Na0.25 O2 -","- Al0.25 Ge0.75 Na0.25 O2 -","- Al4 Ge12 Na4 O32 -","16","","","Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H.","Order and anti-order in Ge-substituted alkali feldspars Sample: Na[AlGe3O8] synthesized at 980 deg C","European Journal of Mineralogy","1991","3","","739","749","10.1127/ejm/3/5/0739","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005078","8.3258","","13.159","","7.2734","","94.172","","116.306","","90.693","","711.575","","","","","","","","","","synthesized at 600 deg C","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Albite","- Al Ge2 Na O8 Si -","- Al Ge2 Na O8 Si -","- Al4 Ge8 Na4 O32 Si4 -","4","","","Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H.","Order and anti-order in Ge-substituted alkali feldspars Sample: Na[AlSiGe2O8] synthesized at 600 deg C","European Journal of Mineralogy","1991","3","","739","749","10.1127/ejm/3/5/0739","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005079","8.3314","","13.1562","","7.2657","","94.255","","116.3","","90.563","","711.173","","","","","","","","","","synthesized at 1040 deg C","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Albite","- Al Ge2 Na O8 Si -","- Al Ge2 Na O8 Si -","- Al4 Ge8 Na4 O32 Si4 -","4","","","Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H.","Order and anti-order in Ge-substituted alkali feldspars Sample: Na[AlSiGe2O8] synthesized at 1040 deg C","European Journal of Mineralogy","1991","3","","739","749","10.1127/ejm/3/5/0739","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005080","7.057","","8.707","","6.555","","90","","113.81","","90","","368.494","","","","","","","","","","","","Tyrol, Austria","6","P 1 21/a 1","-P 2yab","14","","","Titanite","- Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 -","- Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 -","- Al0.012 Ca4 Fe0.056 O20 Si3.928 Ti3.9 -","4","1","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005081","7.049","","8.653","","6.527","","90","","114.12","","90","","363.356","","","","","","","","","","","","Liset, Norway","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.282 Ca0.996 Fe0.011 O5 Si0.992 Ti0.714 -","- Al0.282 Ca0.996 Fe0.011 O5 Si0.992 Ti0.714 -","- Al1.128 Ca3.984 Fe0.044 O20 Si3.968 Ti2.856 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: D167 Note: y-coord of Ca altered to reproduce published bond lengths","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005082","7.045","","8.647","","6.522","","90","","114.21","","90","","362.364","","","","","","","","","","","","Liset, Norway","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.322 Ca0.984 Fe0.014 O5 Si Ti0.661 -","- Al0.322 Ca0.984 Fe0.014 O5 Si Ti0.661 -","- Al1.288 Ca3.936 Fe0.056 O20 Si4 Ti2.644 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: K52","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005083","7.043","","8.637","","6.514","","90","","114.25","","90","","361.285","","","","","","","","","","","","Broken Hill, Australia","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.349 Ca0.986 Fe0.023 O5 Si Ti0.605 -","- Al0.349 Ca0.986 Fe0.023 O5 Si Ti0.605 -","- Al1.396 Ca3.944 Fe0.092 O20 Si4 Ti2.42 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: TK22","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005084","7.038","","8.635","","6.514","","90","","114.24","","90","","360.973","","","","","","","","","","","","Sierra de los Filabres, Spain","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.363 Ca Fe0.013 O5 Si0.988 Ti0.636 -","- Al0.363 Ca Fe0.013 O5 Si0.988 Ti0.636 -","- Al1.452 Ca4 Fe0.052 O20 Si3.952 Ti2.544 -","4","0.5","","Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F.","The crystal-chemistry of high-aluminium titanites Sample: HEL697","European Journal of Mineralogy","1991","3","","777","792","10.1127/ejm/3/5/0777","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005085","7.6942","","15.011","","5.6689","","90","","90","","90","","654.745","","","","","","","","","","","","","3","A 21 a m","A -2 2a","36","","","","- Al4.9 B1.1 O9 -","- Al4.9 B1.1 O9 -","- Al19.6 B4.4 O36 -","4","0.5","","Garsche, M.; Tillmanns, E.; Almen, H.; Schneider, H.; Kupcik, V.","Incorporation of chromium into aluminium borate 9Al2O3.2B2O3 (A9B2) Sample: Rietveld refinement of AgB2","European Journal of Mineralogy","1991","3","","793","808","10.1127/ejm/3/5/0793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005086","7.71","","15.07","","5.7","","90","","90","","90","","662.281","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","","Aluminium Borate","- Al4.8 B1.04 Cr0.16 O9 -","- Al4.8 B1.04 Cr0.16 O9 -","- Al19.2 B4.16 Cr0.64 O36 -","4","0.5","","Garsche, M.; Tillmanns, E.; Almen, H.; Schneider, H.; Kupcik, V.","Incorporation of chromium into aluminium borate 9Al2O3*2B2O3 (A9B2) Sample: Single crystal structure refinement of AgB2+Cr","European Journal of Mineralogy","1991","3","","793","808","10.1127/ejm/3/5/0793","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005087","12.356","","12.762","","11.427","","90","","90","","90","","1801.89","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","Dinite","- C20 H36 -","- C20 H36 -","- C80 H144 -","4","1","","Franzini, L.; Pasero, M.; Perchiazzi, N.","Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy Locality: Garfagnana, northern Tuscany, Italy","European Journal of Mineralogy","1991","3","","855","861","10.1127/ejm/3/5/0855","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005757","4.78","","4.933","","6.902","","90","","90","","90","","162.747","","","","298.15","","","","100","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","MgSiO3","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Yagi, T.; Mao, H. K.; Bell, P. M.","Structure and crystal chemistry of perovskite-type MgSiO3 Sample: P = 1 bar, T = 25 C","Physics and Chemistry of Minerals","1978","3","","97","110","10.1007/BF00308114","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9010965","10.25","","13.48","","4.71","","90","","103.83","","90","","631.914","","","","","","","","","","","","Kiura, Japan","4","C 1 2/m 1","-C 2y","12","","","Parasymplesite","- As2 Fe3 H16 O16 -","- As2 Fe3 H16 O16 -","- As4 Fe6 H32 O32 -","2","0.25","","Mori, H.; Ito, T.","The structure of vivianite and symplesite","Acta Crystallographica","1950","3","","1","6","10.1107/S0365110X5000001X","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010966","10.08","","13.43","","4.7","","90","","104.5","","90","","615.993","","","","","","","","","","","","Ashio, Japan","4","C 1 2/m 1","-C 2y","12","","","Vivianite","- Fe3 H16 O16 P2 -","- Fe3 H16 O16 P2 -","- Fe6 H32 O32 P4 -","2","0.25","","Mori, H.; Ito, T.","The structure of vivianite and symplesite","Acta Crystallographica","1950","3","","1","6","10.1107/S0365110X5000001X","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010967","2.5074","","2.5074","","4.0699","","90","","90","","120","","22.16","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Cobalt","","Cobalt","- Co -","- Co -","- Co2 -","2","0.0833333","","Taylor, A.; Floyd, R. W.","Precision measurements of lattice parameters of non-cubic crystals Sample: at T < 450 C","Acta Crystallographica","1950","3","","285","289","10.1107/S0365110X50000732","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010968","3.5442","","3.5442","","3.5442","","90","","90","","90","","44.52","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Cobalt","","Cobalt","- Co -","- Co -","- Co4 -","4","0.0208333","","Taylor, A.; Floyd, R. W.","Precision measurements of lattice parameters of non-cubic crystals Sample: at T > 450 C","Acta Crystallographica","1950","3","","285","289","10.1107/S0365110X50000732","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010969","7.055","","7.055","","6.439","","90","","90","","120","","277.551","","","","","","","","","","","","Synthetic","3","P 62 2 2","P 62 2 (0 0 4)","180","","","Rhabdophane-(Ce)","- Ce O4 P -","- Ce O4 P -","- Ce3 O12 P3 -","3","0.25","","Mooney, R. C. L.","X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification","Acta Crystallographica","1950","3","","337","340","10.1107/S0365110X50000963","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011834","5.53","","2.884","","5.898","","90","","104.6","","90","","91.027","","","","","","","","","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","","","Crednerite","- Cu Mn O2 -","- Cu Mn O2 -","- Cu2 Mn2 O4 -","2","0.25","","Kondrashev, I. D.","The crystal structure and composition of crednerite, CuMnO2 Note: calculated bond lengths unreconcileable with reported","Soviet Physics Crystallography","1959","3","","703","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012427","3.5168","","3.5168","","3.5168","","90","","90","","90","","43.495","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Nickel","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25C Note: latice parameter is average of four samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012428","4.0413","","4.0413","","4.0413","","90","","90","","90","","66.003","","","","298.15","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Aluminum","- Al -","- Al -","- Al4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Locality: synthetic Sample: at T = 25 C Note: lattice parameter is average of two samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9012430","4.0704","","4.0704","","4.0704","","90","","90","","90","","67.439","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Gold","- Au -","- Au -","- Au4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012431","4.0778","","4.0778","","4.0778","","90","","90","","90","","67.808","","","","298.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Silver","- Ag -","- Ag -","- Ag4 -","4","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of 1 sample","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012432","3.141","","3.141","","3.141","","90","","90","","90","","30.989","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012433","3.1583","","3.1583","","3.1583","","90","","90","","90","","31.504","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: sample 1","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012434","3.203","","3.203","","5.2002","","90","","90","","120","","46.202","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Magnesium","","Magnesium","- Mg -","- Mg -","- Mg2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of four samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012435","2.6594","","2.6594","","4.9368","","90","","90","","120","","30.237","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Zinc","- Zn -","- Zn -","- Zn2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012436","2.9731","","2.9731","","5.6069","","90","","90","","120","","42.921","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","","","Cadmium","- Cd -","- Cd -","- Cd2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of two samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012437","4.5372","","4.5372","","11.8381","","90","","90","","120","","211.052","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25 C Note: lattice parameter is average of three samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","296114","2024-11-26","14:08:45",""
"9012686","3.81","","3.81","","35.764","","90","","90","","90","","519.154","","","","","","","","","","","","Synthetic","3","I 1 2 1","I 2y","5","","","Tantite","- O7.5 Sc0.06 Ta2.94 -","- O7.5 Sc0.06 Ta2.94 -","- O30 Sc0.24 Ta11.76 -","4","1","","Stephenson, N. C.; Roth, R. S.","The crystal structure of the high temperature form of Ta2O2","Journal of Solid State Chemistry","1971","3","","145","153","10.1016/0022-4596(71)90018-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012759","4.434","","4.434","","4.434","","90","","90","","90","","87.174","","","","","","","","4200000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0208333","","McWhan, D. B.; Jayaraman, A.","Crystal structure of strontium metal above 35 kbar and its relation to ytterbium Sample: at P = 4.2 GPa & T = room T","Applied Physics Letters","1963","3","","129","131","10.1063/1.1753899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012760","4.84","","4.84","","4.84","","90","","90","","90","","113.38","","","","873.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Strontium","- Sr -","- Sr -","- Sr2 -","2","0.0208333","","McWhan, D. B.; Jayaraman, A.","Crystal structure of strontium metal above 35 kbar and its relation to ytterbium Sample: at T = 600 C","Applied Physics Letters","1963","3","","129","131","10.1063/1.1753899","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012781","10.75","","7.25","","12.25","","90","","92.3","","90","","953.965","","","","","","","","","","","","","1","P 1 21/n 1","-P 2yn","14","","","Rosickyite","- S18 -","- S18 -","- S36 -","2","0.5","","Debaerdemaeker, T.; Kutoglu, A.","Cyclooctadecasulfur, S18 (beta) Locality: synthetic Note: beta phase","Crystal Structure Communications","1974","3","","611","613","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9012799","9.502","","9.502","","37.116","","90","","90","","120","","2902.16","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe0.526 H6 In0.475 O24 P6 -","- Ba3 Fe0.5256 H6 In0.4746 O24 P6 -","- Ba18 Fe3.1536 H36 In2.8476 O144 P36 -","6","0.166667","","Tang, X.; Gentiletti, M. J.; Lachgar, A.; Morozov, V. A.; Lazoryak, B. I.","The pillared layered framework of Ba3(In1-xMx)2(HXO4)6(0<=x<=1; M=Fe,Cr; X=P, As): synthesis, crystal structure, thermal stability and Mossbauer spectroscopy","Solid State Sciences","2001","3","","143","153","10.1016/S1293-2558(00)01118-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012920","7.94","","7.94","","7.94","","90","","90","","90","","500.566","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","Pharmacosiderite","- As3 Fe4 H18 O23 -","- As3 Fe4 H18 O23 -","- As3 Fe4 H18 O23 -","1","0.0416667","","Zemann, J.","Uber die struktur des pharmakosiderits Note: the K atom could not be located","Experientia","1947","3","","452","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9013155","13.565","","5.2","","14.577","","90","","91.5","","90","","1027.88","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Usovite","- Al2 Ba2 Ca F14 Mg -","- Al2 Ba2 Ca F14 Mg -","- Al8 Ba8 Ca4 F56 Mg4 -","4","0.5","","Litvin, A. L.; Petrunina, A. A.; Ostapenko, S. S.","Crystal structure of usovite","Dopovidi Akademii Nauk Ukrainskoi RSR Seriya B-Geologichni Khimichni Ta Biologichni Nauki","1980","3","","47","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013157","12.79","","6.85","","13.02","","90","","91.03","","90","","1140.52","","","","","","","","","","","","Lake Boga, Victoria, Australia","6","C 1 2/m 1","-C 2y","12","","","Ulrichite","- Ca Cu H10.88 O14 P2 U -","- Ca Cu H8 O14 P2 U -","- Ca4 Cu4 H32 O56 P8 U4 -","4","0.5","","Birch, W. D.; Mumme, W. G.; Segnit, E. R.","Ulrichite: a new copper calcium uranium phosphate from Lake Boga, Victoria, Australia Locality: Lake Boga, Victoria, Australia","Australian Mineralogist","1988","3","","125","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9013435","24.71","","24.71","","24.71","","90","","90","","90","","15087.5","","","","","","","","","","","","Sasbach, Kaiserstuhl, Germany","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-Ca","- Al1.782 Ca0.731 H6 O13.625 Si4.218 -","- Al1.782 Ca0.731 H1.788 O13.625 Si4.218 -","- Al57.024 Ca23.392 H57.216 O436 Si134.976 -","32","0.166667","","Bennett, J. M.; Smith, J. V.","Positions of cations and molecules in zeolites with the faujasite-type framework III. Hydrated Ca-exchanged faujasite","Materials Research Bulletin","1968","3","","933","940","10.1016/0025-5408(68)90105-0","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9013463","2.8604","","2.8604","","2.8604","","90","","90","","90","","23.403","","","","298.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25C Note: lattice parameter is average of four samples","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9013464","4.2995","","4.2995","","11.2515","","90","","90","","120","","180.126","","","","298.15","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Antimony","","Antimony","- Sb -","- Sb -","- Sb2 -","2","0.0833333","","Jette, E. R.; Foote, F.","Precision determination of lattice constants Sample: at T = 25C Note: sample 1","Journal of Chemical Physics","1935","3","","605","616","10.1063/1.1749562","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:09",""
"9014177","5.457","","9.131","","9.769","","108.47","","91.72","","97.44","","456.5","","","","","","","","","","","","Saint-Aubin-des-Chateaux, Loire-Atlantique, France","9","P -1","-P 1","2","","","Lulzacite","- Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08 -","- Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08 -","- Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08 -","1","0.5","","Leone, P.; Palvadeau, P.; Moelo, Y.","Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10","Chimie de l'etat Solide et Cristallochimie","2000","3","","301","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9014304","10.657","0.003","5.887","0.001","7.228","0.002","90","","95.035","0.008","90","","451.7","0.2","323","","323","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu6 H12 O22 V4 -","2","0.25","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0413","","","","0.1223","","","","","","1.407","","","","has coordinates","294029","2024-08-07","12:09:56",""
"9015337","5.67","","5.67","","5.67","","90","","90","","90","","182.284","","","","","","","","","","","","cosmic dust found in placers, Yanshan, China","4","F m -3 m","-F 4 2 3","225","","","Gupeite","- Fe2.97 Mn0.024 Ni0.027 Si -","- Fe2.97 Mn0.024 Ni0.027 Si -","- Fe11.88 Mn0.096 Ni0.108 Si4 -","4","0.0208333","","Yu, Z.","Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan","Acta Petrologica Mineralogica et Analytica","1984","3","","231","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015431","9.06","","9.06","","3.06","","90","","90","","120","","217.525","","","","","","","","","","","","Tallgruvan, Sweden","5","P 63/m","-P 6c","176","","","Hydroxylborite","- B F0.87 H2.13 Mg3 O5.13 -","- B F0.87 H2.13 Mg3 O5.13 -","- B2 F1.74 H4.26 Mg6 O10.26 -","2","0.166667","","Takeuchi, Y.","The structure of fluoborite","Acta Crystallographica","1950","3","","208","210","10.1107/S0365110X50000501","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016057","4.6893","","3.4268","","5.1321","","90","","99.653","","90","","81.302","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","1","","Asbrink, S.; Waskowska, A.","CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = 196 K","Journal of Physics: Condensed Matter","1991","3","","8173","8180","10.1088/0953-8984/3/42/012","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016148","12.0627","","17.1745","","18.2094","","90","","106.34","","90","","3620.08","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Rakovanite","- H30 Na3 O43 V10 -","- H30 Na3 O43 V10 -","- H120 Na12 O172 V40 -","4","1","","Duraisamy, T.; Ramanan, A.; Vittal, J. J.","Novel self-assembled decavanadate clusters forming 1D molecular chains and 2D molecular arrays: [HMTA-H...H2O][HMTA-CH2OH][H3V10O28{Na(H2O)4}]*4H2O and [Na2(H2O)10] [H3V10O28 {Na(H2O)2}]*3H2O","Crystal Engineering","2000","3","","237","250","10.1016/S1463-0184(00)00043-5","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016228","10.6418","0.0001","5.8485","0.0001","14.4157","0.0001","90","","95.443","0.001","90","","893.17","0.02","150","","150","","","","","","","","Synthetic","4","I 1 2/a 1","-I 2ya","15","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu12 H24 O44 V8 -","4","0.5","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0293","","","","0.0767","","","","","","1.144","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016326","4.6927","","3.4283","","5.137","","90","","99.546","","90","","81.5","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","1","","Asbrink, S.; Waskowska, A.","CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = room temperature","Journal of Physics: Condensed Matter","1991","3","","8173","8180","10.1088/0953-8984/3/42/012","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017208","12.356","","12.762","","11.427","","90","","90","","90","","1801.89","","","","","","","","","","","","Garfagnana, northern Tuscany, Italy","2","P 21 21 21","P 2ac 2ab","19","","","Dinite","- C20 H36 -","- C20 -","- C80 -","4","1","","Franzini, L.; Pasero, M.; Perchiazzi, N.","Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy","European Journal of Mineralogy","1991","3","","855","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""